data_15339_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15339
_Entry.PDB_ID 2JRM
_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 7 . 1 1 1 A 2 2 LYS H H 2 8.138 8.708 -0.570 1
1 8 . 1 1 1 A 2 2 LYS HA H 2 4.325 4.542 -0.217 1
1 17 . 1 1 1 A 2 2 LYS C C 2 176.460 176.228 0.232 1
1 18 . 1 1 1 A 2 2 LYS CA C 2 56.632 57.478 -0.846 1
1 19 . 1 1 1 A 2 2 LYS CB C 2 33.087 35.639 -2.552 1
1 23 . 1 1 1 A 2 2 LYS N N 2 125.275 123.666 1.609 1
1 24 . 1 1 1 A 3 3 ARG H H 3 8.624 7.727 0.897 1
1 25 . 1 1 1 A 3 3 ARG HA H 3 4.220 4.376 -0.156 1
1 32 . 1 1 1 A 3 3 ARG C C 3 176.426 176.959 -0.533 1
1 33 . 1 1 1 A 3 3 ARG CA C 3 56.705 55.063 1.642 1
1 34 . 1 1 1 A 3 3 ARG CB C 3 30.577 28.678 1.899 1
1 37 . 1 1 1 A 3 3 ARG N N 3 123.963 119.286 4.677 1
1 38 . 1 1 1 A 4 4 GLN H H 4 8.613 7.894 0.719 1
1 39 . 1 1 1 A 4 4 GLN HA H 4 4.221 4.902 -0.681 1
1 46 . 1 1 1 A 4 4 GLN C C 4 176.604 177.423 -0.819 1
1 47 . 1 1 1 A 4 4 GLN CA C 4 56.626 56.811 -0.185 1
1 48 . 1 1 1 A 4 4 GLN CB C 4 29.536 28.449 1.087 1
1 50 . 1 1 1 A 4 4 GLN N N 4 121.223 123.338 -2.115 1
1 52 . 1 1 1 A 5 5 LYS H H 5 8.180 7.918 0.262 1
1 53 . 1 1 1 A 5 5 LYS HA H 5 4.161 4.140 0.021 1
1 62 . 1 1 1 A 5 5 LYS C C 5 176.971 179.070 -2.099 1
1 63 . 1 1 1 A 5 5 LYS CA C 5 57.367 59.571 -2.204 1
1 64 . 1 1 1 A 5 5 LYS CB C 5 32.873 32.255 0.618 1
1 68 . 1 1 1 A 5 5 LYS N N 5 122.464 120.297 2.167 1
1 69 . 1 1 1 A 6 6 ARG H H 6 8.345 7.887 0.458 1
1 70 . 1 1 1 A 6 6 ARG HA H 6 4.119 3.997 0.122 1
1 77 . 1 1 1 A 6 6 ARG C C 6 176.908 177.829 -0.921 1
1 78 . 1 1 1 A 6 6 ARG CA C 6 57.246 58.700 -1.454 1
1 79 . 1 1 1 A 6 6 ARG CB C 6 30.166 29.722 0.444 1
1 82 . 1 1 1 A 6 6 ARG N N 6 121.458 119.901 1.557 1
1 83 . 1 1 1 A 7 7 ASP H H 7 8.422 8.325 0.097 1
1 84 . 1 1 1 A 7 7 ASP HA H 7 4.414 4.228 0.186 1
1 87 . 1 1 1 A 7 7 ASP C C 7 177.562 178.058 -0.496 1
1 88 . 1 1 1 A 7 7 ASP CA C 7 55.809 57.485 -1.676 1
1 89 . 1 1 1 A 7 7 ASP CB C 7 41.064 40.465 0.599 1
1 90 . 1 1 1 A 7 7 ASP N N 7 120.954 119.871 1.083 1
1 91 . 1 1 1 A 8 8 ARG H H 8 8.061 8.300 -0.239 1
1 92 . 1 1 1 A 8 8 ARG HA H 8 3.971 4.086 -0.115 1
1 99 . 1 1 1 A 8 8 ARG C C 8 178.412 177.749 0.663 1
1 100 . 1 1 1 A 8 8 ARG CA C 8 59.160 58.340 0.820 1
1 101 . 1 1 1 A 8 8 ARG CB C 8 30.192 29.261 0.931 1
1 104 . 1 1 1 A 8 8 ARG N N 8 119.853 117.799 2.054 1
1 105 . 1 1 1 A 9 9 LEU H H 9 7.801 7.254 0.547 1
1 106 . 1 1 1 A 9 9 LEU HA H 9 3.727 4.001 -0.274 1
1 116 . 1 1 1 A 9 9 LEU C C 9 178.182 178.607 -0.425 1
1 117 . 1 1 1 A 9 9 LEU CA C 9 57.192 56.346 0.846 1
1 118 . 1 1 1 A 9 9 LEU CB C 9 38.370 41.230 -2.860 1
1 122 . 1 1 1 A 9 9 LEU N N 9 121.052 120.041 1.011 1
1 123 . 1 1 1 A 10 10 GLU H H 10 8.172 8.763 -0.591 1
1 124 . 1 1 1 A 10 10 GLU HA H 10 4.014 4.015 -0.001 1
1 129 . 1 1 1 A 10 10 GLU C C 10 180.022 178.255 1.767 1
1 130 . 1 1 1 A 10 10 GLU CA C 10 59.504 59.523 -0.019 1
1 131 . 1 1 1 A 10 10 GLU CB C 10 29.451 29.413 0.038 1
1 133 . 1 1 1 A 10 10 GLU N N 10 120.463 120.137 0.326 1
1 134 . 1 1 1 A 11 11 ARG H H 11 8.202 7.460 0.742 1
1 135 . 1 1 1 A 11 11 ARG HA H 11 4.117 4.207 -0.090 1
1 142 . 1 1 1 A 11 11 ARG C C 11 178.321 178.616 -0.295 1
1 143 . 1 1 1 A 11 11 ARG CA C 11 59.328 57.831 1.497 1
1 144 . 1 1 1 A 11 11 ARG CB C 11 29.798 30.425 -0.627 1
1 147 . 1 1 1 A 11 11 ARG N N 11 119.987 118.984 1.003 1
1 148 . 1 1 1 A 12 12 ALA H H 12 7.661 7.729 -0.068 1
1 149 . 1 1 1 A 12 12 ALA HA H 12 4.603 3.805 0.798 1
1 153 . 1 1 1 A 12 12 ALA C C 12 179.757 179.609 0.148 1
1 154 . 1 1 1 A 12 12 ALA CA C 12 55.536 54.962 0.574 1
1 155 . 1 1 1 A 12 12 ALA CB C 12 18.423 18.094 0.329 1
1 156 . 1 1 1 A 12 12 ALA N N 12 122.208 122.439 -0.231 1
1 157 . 1 1 1 A 13 13 GLN H H 13 8.205 8.522 -0.317 1
1 158 . 1 1 1 A 13 13 GLN HA H 13 4.332 4.117 0.215 1
1 165 . 1 1 1 A 13 13 GLN C C 13 178.128 178.163 -0.035 1
1 166 . 1 1 1 A 13 13 GLN CA C 13 59.565 58.841 0.724 1
1 167 . 1 1 1 A 13 13 GLN CB C 13 29.572 28.794 0.778 1
1 169 . 1 1 1 A 13 13 GLN N N 13 118.449 119.035 -0.586 1
1 171 . 1 1 1 A 14 14 SER H H 14 8.245 8.157 0.088 1
1 172 . 1 1 1 A 14 14 SER HA H 14 4.281 4.220 0.061 1
1 175 . 1 1 1 A 14 14 SER C C 14 177.751 176.363 1.388 1
1 176 . 1 1 1 A 14 14 SER CA C 14 61.583 61.522 0.061 1
1 177 . 1 1 1 A 14 14 SER CB C 14 62.897 63.217 -0.320 1
1 178 . 1 1 1 A 14 14 SER N N 14 115.275 117.430 -2.155 1
1 179 . 1 1 1 A 15 15 GLN H H 15 8.686 8.464 0.222 1
1 180 . 1 1 1 A 15 15 GLN HA H 15 4.124 4.103 0.021 1
1 187 . 1 1 1 A 15 15 GLN C C 15 179.621 178.551 1.070 1
1 188 . 1 1 1 A 15 15 GLN CA C 15 58.803 59.534 -0.731 1
1 189 . 1 1 1 A 15 15 GLN CB C 15 28.201 28.407 -0.206 1
1 191 . 1 1 1 A 15 15 GLN N N 15 121.722 121.266 0.456 1
1 193 . 1 1 1 A 16 16 GLY H H 16 8.439 8.511 -0.072 1
1 194 . 1 1 1 A 16 16 GLY HA2 H 16 1.849 2.252 -0.403 1
1 195 . 1 1 1 A 16 16 GLY HA3 H 16 3.742 2.920 0.822 1
1 196 . 1 1 1 A 16 16 GLY C C 16 175.080 175.070 0.010 1
1 197 . 1 1 1 A 16 16 GLY CA C 16 45.784 46.464 -0.680 1
1 198 . 1 1 1 A 16 16 GLY N N 16 113.363 106.533 6.830 1
1 199 . 1 1 1 A 17 17 TYR H H 17 8.167 7.567 0.600 1
1 200 . 1 1 1 A 17 17 TYR HA H 17 4.014 4.069 -0.055 1
1 207 . 1 1 1 A 17 17 TYR C C 17 177.200 177.449 -0.249 1
1 208 . 1 1 1 A 17 17 TYR CA C 17 60.567 60.813 -0.246 1
1 209 . 1 1 1 A 17 17 TYR CB C 17 38.755 38.754 0.001 1
1 214 . 1 1 1 A 17 17 TYR N N 17 123.123 123.763 -0.640 1
1 215 . 1 1 1 A 18 18 LYS H H 18 8.003 8.027 -0.024 1
1 216 . 1 1 1 A 18 18 LYS HA H 18 3.681 4.089 -0.408 1
1 225 . 1 1 1 A 18 18 LYS C C 18 178.838 179.124 -0.286 1
1 226 . 1 1 1 A 18 18 LYS CA C 18 59.677 58.859 0.818 1
1 227 . 1 1 1 A 18 18 LYS CB C 18 32.393 32.257 0.136 1
1 231 . 1 1 1 A 18 18 LYS N N 18 117.920 119.628 -1.708 1
1 232 . 1 1 1 A 19 19 ALA H H 19 8.067 8.847 -0.780 1
1 233 . 1 1 1 A 19 19 ALA HA H 19 4.194 4.190 0.004 1
1 237 . 1 1 1 A 19 19 ALA C C 19 180.263 180.015 0.248 1
1 238 . 1 1 1 A 19 19 ALA CA C 19 55.349 54.916 0.433 1
1 239 . 1 1 1 A 19 19 ALA CB C 19 19.039 18.487 0.552 1
1 240 . 1 1 1 A 19 19 ALA N N 19 120.778 121.246 -0.468 1
1 241 . 1 1 1 A 20 20 GLY H H 20 8.527 8.065 0.462 1
1 242 . 1 1 1 A 20 20 GLY HA2 H 20 3.101 3.156 -0.055 1
1 243 . 1 1 1 A 20 20 GLY HA3 H 20 3.303 3.281 0.022 1
1 244 . 1 1 1 A 20 20 GLY C C 20 177.818 175.731 2.087 1
1 245 . 1 1 1 A 20 20 GLY CA C 20 47.102 47.133 -0.031 1
1 246 . 1 1 1 A 20 20 GLY N N 20 107.003 106.093 0.910 1
1 247 . 1 1 1 A 21 21 LEU H H 21 8.310 7.389 0.921 1
1 248 . 1 1 1 A 21 21 LEU HA H 21 3.696 4.035 -0.339 1
1 258 . 1 1 1 A 21 21 LEU C C 21 178.603 177.960 0.643 1
1 259 . 1 1 1 A 21 21 LEU CA C 21 57.417 57.400 0.017 1
1 260 . 1 1 1 A 21 21 LEU CB C 21 41.798 42.714 -0.916 1
1 264 . 1 1 1 A 21 21 LEU N N 21 124.762 122.363 2.399 1
1 265 . 1 1 1 A 22 22 ASN H H 22 7.628 8.891 -1.263 1
1 266 . 1 1 1 A 22 22 ASN HA H 22 4.701 4.774 -0.073 1
1 271 . 1 1 1 A 22 22 ASN C C 22 175.456 177.839 -2.383 1
1 272 . 1 1 1 A 22 22 ASN CA C 22 53.292 55.339 -2.047 1
1 273 . 1 1 1 A 22 22 ASN CB C 22 39.188 38.714 0.474 1
1 274 . 1 1 1 A 22 22 ASN N N 22 114.867 114.828 0.039 1
1 276 . 1 1 1 A 23 23 GLY H H 23 7.586 7.699 -0.113 1
1 277 . 1 1 1 A 23 23 GLY HA2 H 23 3.810 3.997 -0.187 1
1 278 . 1 1 1 A 23 23 GLY HA3 H 23 4.102 4.072 0.030 1
1 279 . 1 1 1 A 23 23 GLY C C 23 175.226 175.052 0.174 1
1 280 . 1 1 1 A 23 23 GLY CA C 23 46.302 45.876 0.426 1
1 281 . 1 1 1 A 23 23 GLY N N 23 106.650 108.891 -2.241 1
1 282 . 1 1 1 A 24 24 ARG H H 24 8.156 8.326 -0.170 1
1 283 . 1 1 1 A 24 24 ARG HA H 24 4.508 4.233 0.275 1
1 290 . 1 1 1 A 24 24 ARG C C 24 177.405 175.377 2.028 1
1 291 . 1 1 1 A 24 24 ARG CA C 24 55.103 58.313 -3.210 1
1 292 . 1 1 1 A 24 24 ARG CB C 24 30.537 30.166 0.371 1
1 295 . 1 1 1 A 24 24 ARG N N 24 118.161 119.927 -1.766 1
1 296 . 1 1 1 A 25 25 SER H H 25 9.015 8.773 0.242 1
1 297 . 1 1 1 A 25 25 SER HA H 25 4.804 5.307 -0.503 1
1 300 . 1 1 1 A 25 25 SER C C 25 175.005 174.332 0.673 1
1 301 . 1 1 1 A 25 25 SER CA C 25 57.752 57.604 0.148 1
1 302 . 1 1 1 A 25 25 SER CB C 25 64.687 66.257 -1.570 1
1 303 . 1 1 1 A 25 25 SER N N 25 119.720 112.901 6.819 1
1 304 . 1 1 1 A 26 26 GLN H H 26 8.662 8.439 0.223 1
1 305 . 1 1 1 A 26 26 GLN HA H 26 3.162 4.300 -1.138 1
1 312 . 1 1 1 A 26 26 GLN C C 26 177.736 177.269 0.467 1
1 313 . 1 1 1 A 26 26 GLN CA C 26 58.643 57.281 1.362 1
1 314 . 1 1 1 A 26 26 GLN CB C 26 27.352 28.145 -0.793 1
1 316 . 1 1 1 A 26 26 GLN N N 26 120.247 122.807 -2.560 1
1 318 . 1 1 1 A 27 27 GLU H H 27 8.244 8.059 0.185 1
1 319 . 1 1 1 A 27 27 GLU HA H 27 3.886 4.034 -0.148 1
1 324 . 1 1 1 A 27 27 GLU C C 27 176.177 177.797 -1.620 1
1 325 . 1 1 1 A 27 27 GLU CA C 27 57.807 58.543 -0.736 1
1 326 . 1 1 1 A 27 27 GLU CB C 27 28.583 29.554 -0.971 1
1 328 . 1 1 1 A 27 27 GLU N N 27 117.869 120.570 -2.701 1
1 329 . 1 1 1 A 28 28 ALA H H 28 7.451 7.748 -0.297 1
1 330 . 1 1 1 A 28 28 ALA HA H 28 4.070 4.436 -0.366 1
1 334 . 1 1 1 A 28 28 ALA C C 28 176.063 176.851 -0.788 1
1 335 . 1 1 1 A 28 28 ALA CA C 28 51.945 51.474 0.471 1
1 336 . 1 1 1 A 28 28 ALA CB C 28 18.113 19.093 -0.980 1
1 337 . 1 1 1 A 28 28 ALA N N 28 120.356 118.803 1.553 1
1 338 . 1 1 1 A 29 29 CYS H H 29 6.591 7.483 -0.892 1
1 339 . 1 1 1 A 29 29 CYS HA H 29 1.828 3.925 -2.097 1
1 342 . 1 1 1 A 29 29 CYS CA C 29 56.231 56.045 0.186 1
1 343 . 1 1 1 A 29 29 CYS CB C 29 27.778 26.840 0.938 1
1 344 . 1 1 1 A 29 29 CYS N N 29 121.588 116.126 5.462 1
1 345 . 1 1 1 A 30 30 PRO HA H 30 4.323 4.381 -0.058 1
1 352 . 1 1 1 A 30 30 PRO C C 30 175.515 175.516 -0.001 1
1 353 . 1 1 1 A 30 30 PRO CA C 30 63.382 62.988 0.394 1
1 354 . 1 1 1 A 30 30 PRO CB C 30 31.551 30.704 0.847 1
1 357 . 1 1 1 A 31 31 TYR H H 31 6.804 7.794 -0.990 1
1 358 . 1 1 1 A 31 31 TYR HA H 31 4.582 4.749 -0.167 1
1 365 . 1 1 1 A 31 31 TYR C C 31 174.785 174.917 -0.132 1
1 366 . 1 1 1 A 31 31 TYR CA C 31 58.348 58.159 0.189 1
1 367 . 1 1 1 A 31 31 TYR CB C 31 41.030 39.623 1.407 1
1 372 . 1 1 1 A 31 31 TYR N N 31 118.903 121.182 -2.279 1
1 373 . 1 1 1 A 32 32 GLN H H 32 8.763 8.261 0.502 1
1 374 . 1 1 1 A 32 32 GLN HA H 32 4.344 4.458 -0.114 1
1 381 . 1 1 1 A 32 32 GLN C C 32 176.528 175.251 1.277 1
1 382 . 1 1 1 A 32 32 GLN CA C 32 55.996 54.459 1.537 1
1 383 . 1 1 1 A 32 32 GLN CB C 32 30.182 30.798 -0.616 1
1 385 . 1 1 1 A 32 32 GLN N N 32 120.327 120.691 -0.364 1
1 387 . 1 1 1 A 33 33 GLN H H 33 8.230 8.751 -0.521 1
1 388 . 1 1 1 A 33 33 GLN HA H 33 4.262 4.418 -0.156 1
1 395 . 1 1 1 A 33 33 GLN C C 33 177.216 177.610 -0.394 1
1 396 . 1 1 1 A 33 33 GLN CA C 33 56.931 57.577 -0.646 1
1 397 . 1 1 1 A 33 33 GLN CB C 33 28.699 29.567 -0.868 1
1 399 . 1 1 1 A 33 33 GLN N N 33 121.712 122.757 -1.045 1
1 401 . 1 1 1 A 34 34 VAL H H 34 8.484 7.962 0.522 1
1 402 . 1 1 1 A 34 34 VAL HA H 34 3.551 3.521 0.030 1
1 410 . 1 1 1 A 34 34 VAL C C 34 177.685 177.849 -0.164 1
1 411 . 1 1 1 A 34 34 VAL CA C 34 66.570 66.485 0.085 1
1 412 . 1 1 1 A 34 34 VAL CB C 34 31.946 31.698 0.248 1
1 415 . 1 1 1 A 34 34 VAL N N 34 122.145 120.033 2.112 1
1 416 . 1 1 1 A 35 35 ASP H H 35 8.324 8.399 -0.075 1
1 417 . 1 1 1 A 35 35 ASP HA H 35 4.434 4.455 -0.021 1
1 420 . 1 1 1 A 35 35 ASP C C 35 177.892 178.226 -0.334 1
1 421 . 1 1 1 A 35 35 ASP CA C 35 56.826 56.885 -0.059 1
1 422 . 1 1 1 A 35 35 ASP CB C 35 38.807 40.604 -1.797 1
1 423 . 1 1 1 A 35 35 ASP N N 35 120.937 119.410 1.527 1
1 424 . 1 1 1 A 36 36 ALA H H 36 8.431 8.075 0.356 1
1 425 . 1 1 1 A 36 36 ALA HA H 36 3.598 4.252 -0.654 1
1 429 . 1 1 1 A 36 36 ALA C C 36 178.949 179.650 -0.701 1
1 430 . 1 1 1 A 36 36 ALA CA C 36 55.327 54.658 0.669 1
1 431 . 1 1 1 A 36 36 ALA CB C 36 17.371 18.599 -1.228 1
1 432 . 1 1 1 A 36 36 ALA N N 36 126.210 122.413 3.797 1
1 433 . 1 1 1 A 37 37 ARG H H 37 8.458 8.255 0.203 1
1 434 . 1 1 1 A 37 37 ARG HA H 37 3.857 4.160 -0.303 1
1 442 . 1 1 1 A 37 37 ARG C C 37 177.746 178.657 -0.911 1
1 443 . 1 1 1 A 37 37 ARG CA C 37 60.636 59.600 1.036 1
1 444 . 1 1 1 A 37 37 ARG CB C 37 29.931 29.980 -0.049 1
1 447 . 1 1 1 A 37 37 ARG N N 37 116.717 120.412 -3.695 1
1 449 . 1 1 1 A 38 38 SER H H 38 8.173 8.239 -0.066 1
1 450 . 1 1 1 A 38 38 SER HA H 38 4.130 4.316 -0.186 1
1 451 . 1 1 1 A 38 38 SER C C 38 178.293 175.761 2.532 1
1 452 . 1 1 1 A 38 38 SER CA C 38 62.627 60.833 1.794 1
1 453 . 1 1 1 A 38 38 SER N N 38 114.110 115.405 -1.295 1
1 454 . 1 1 1 A 39 39 TYR H H 39 8.343 7.574 0.769 1
1 455 . 1 1 1 A 39 39 TYR HA H 39 4.213 4.504 -0.291 1
1 462 . 1 1 1 A 39 39 TYR C C 39 178.701 178.421 0.280 1
1 463 . 1 1 1 A 39 39 TYR CA C 39 62.466 60.355 2.111 1
1 464 . 1 1 1 A 39 39 TYR CB C 39 38.687 39.383 -0.696 1
1 469 . 1 1 1 A 39 39 TYR N N 39 123.318 119.640 3.678 1
1 470 . 1 1 1 A 40 40 TRP H H 40 8.818 8.317 0.501 1
1 471 . 1 1 1 A 40 40 TRP HA H 40 4.586 4.585 0.001 1
1 480 . 1 1 1 A 40 40 TRP C C 40 179.359 178.208 1.151 1
1 481 . 1 1 1 A 40 40 TRP CA C 40 61.953 60.494 1.459 1
1 482 . 1 1 1 A 40 40 TRP CB C 40 31.349 29.732 1.617 1
1 488 . 1 1 1 A 40 40 TRP N N 40 123.286 120.791 2.495 1
1 490 . 1 1 1 A 41 41 LEU H H 41 9.368 8.443 0.925 1
1 491 . 1 1 1 A 41 41 LEU HA H 41 4.405 4.335 0.070 1
1 501 . 1 1 1 A 41 41 LEU C C 41 179.498 179.150 0.348 1
1 502 . 1 1 1 A 41 41 LEU CA C 41 58.206 57.886 0.320 1
1 503 . 1 1 1 A 41 41 LEU CB C 41 41.754 41.962 -0.208 1
1 507 . 1 1 1 A 41 41 LEU N N 41 119.265 120.790 -1.525 1
1 508 . 1 1 1 A 42 42 GLY H H 42 8.283 8.301 -0.018 1
1 509 . 1 1 1 A 42 42 GLY HA2 H 42 3.857 3.761 0.096 1
1 510 . 1 1 1 A 42 42 GLY HA3 H 42 3.929 3.792 0.137 1
1 511 . 1 1 1 A 42 42 GLY C C 42 176.508 176.602 -0.094 1
1 512 . 1 1 1 A 42 42 GLY CA C 42 47.412 47.520 -0.108 1
1 513 . 1 1 1 A 42 42 GLY N N 42 108.413 106.958 1.455 1
1 514 . 1 1 1 A 43 43 GLY H H 43 8.181 8.071 0.110 1
1 515 . 1 1 1 A 43 43 GLY HA2 H 43 4.124 3.811 0.313 1
1 516 . 1 1 1 A 43 43 GLY HA3 H 43 4.258 3.836 0.422 1
1 517 . 1 1 1 A 43 43 GLY C C 43 174.891 175.619 -0.728 1
1 518 . 1 1 1 A 43 43 GLY CA C 43 47.341 47.014 0.327 1
1 519 . 1 1 1 A 43 43 GLY N N 43 109.904 108.862 1.042 1
1 520 . 1 1 1 A 44 44 TRP H H 44 8.460 7.903 0.557 1
1 521 . 1 1 1 A 44 44 TRP HA H 44 3.578 4.177 -0.599 1
1 530 . 1 1 1 A 44 44 TRP C C 44 178.547 178.209 0.338 1
1 531 . 1 1 1 A 44 44 TRP CA C 44 62.646 60.060 2.586 1
1 532 . 1 1 1 A 44 44 TRP CB C 44 29.467 29.586 -0.119 1
1 538 . 1 1 1 A 44 44 TRP N N 44 124.152 124.142 0.010 1
1 540 . 1 1 1 A 45 45 ARG H H 45 8.759 8.367 0.392 1
1 541 . 1 1 1 A 45 45 ARG HA H 45 3.669 3.826 -0.157 1
1 549 . 1 1 1 A 45 45 ARG C C 45 178.784 178.557 0.227 1
1 550 . 1 1 1 A 45 45 ARG CA C 45 59.785 59.363 0.422 1
1 551 . 1 1 1 A 45 45 ARG CB C 45 30.295 29.931 0.364 1
1 554 . 1 1 1 A 45 45 ARG N N 45 118.655 118.267 0.388 1
1 556 . 1 1 1 A 46 46 ASP H H 46 8.084 7.985 0.099 1
1 557 . 1 1 1 A 46 46 ASP HA H 46 4.362 4.324 0.038 1
1 560 . 1 1 1 A 46 46 ASP C C 46 178.818 177.824 0.994 1
1 561 . 1 1 1 A 46 46 ASP CA C 46 57.518 57.565 -0.047 1
1 562 . 1 1 1 A 46 46 ASP CB C 46 39.752 41.264 -1.512 1
1 563 . 1 1 1 A 46 46 ASP N N 46 120.646 119.200 1.446 1
1 564 . 1 1 1 A 47 47 ALA H H 47 7.873 8.118 -0.245 1
1 565 . 1 1 1 A 47 47 ALA HA H 47 3.627 3.612 0.015 1
1 569 . 1 1 1 A 47 47 ALA C C 47 179.397 179.672 -0.275 1
1 570 . 1 1 1 A 47 47 ALA CA C 47 54.962 54.895 0.067 1
1 571 . 1 1 1 A 47 47 ALA CB C 47 18.940 17.499 1.441 1
1 572 . 1 1 1 A 47 47 ALA N N 47 122.126 121.308 0.818 1
1 573 . 1 1 1 A 48 48 ARG H H 48 7.587 7.601 -0.014 1
1 574 . 1 1 1 A 48 48 ARG HA H 48 3.538 3.744 -0.206 1
1 582 . 1 1 1 A 48 48 ARG C C 48 178.647 178.837 -0.190 1
1 583 . 1 1 1 A 48 48 ARG CA C 48 57.880 59.504 -1.624 1
1 584 . 1 1 1 A 48 48 ARG CB C 48 28.753 29.702 -0.949 1
1 587 . 1 1 1 A 48 48 ARG N N 48 117.721 117.695 0.026 1
1 589 . 1 1 1 A 49 49 ASP H H 49 8.249 7.936 0.313 1
1 590 . 1 1 1 A 49 49 ASP HA H 49 4.383 4.361 0.022 1
1 593 . 1 1 1 A 49 49 ASP C C 49 178.360 178.265 0.095 1
1 594 . 1 1 1 A 49 49 ASP CA C 49 56.330 56.333 -0.003 1
1 595 . 1 1 1 A 49 49 ASP CB C 49 40.401 40.787 -0.386 1
1 596 . 1 1 1 A 49 49 ASP N N 49 119.997 119.580 0.417 1
1 597 . 1 1 1 A 50 50 GLU H H 50 8.060 7.554 0.506 1
1 598 . 1 1 1 A 50 50 GLU HA H 50 4.007 4.027 -0.020 1
1 603 . 1 1 1 A 50 50 GLU C C 50 178.675 178.422 0.253 1
1 604 . 1 1 1 A 50 50 GLU CA C 50 58.740 58.668 0.072 1
1 605 . 1 1 1 A 50 50 GLU CB C 50 29.585 29.568 0.017 1
1 607 . 1 1 1 A 50 50 GLU N N 50 121.823 119.059 2.764 1
1 608 . 1 1 1 A 51 51 LYS H H 51 8.089 7.667 0.422 1
1 609 . 1 1 1 A 51 51 LYS HA H 51 4.057 4.057 0.000 1
1 618 . 1 1 1 A 51 51 LYS C C 51 178.241 178.680 -0.439 1
1 619 . 1 1 1 A 51 51 LYS CA C 51 57.727 58.851 -1.124 1
1 620 . 1 1 1 A 51 51 LYS CB C 51 32.090 31.886 0.204 1
1 624 . 1 1 1 A 51 51 LYS N N 51 119.415 119.272 0.143 1
1 625 . 1 1 1 A 52 52 GLN H H 52 8.043 7.702 0.341 1
1 626 . 1 1 1 A 52 52 GLN HA H 52 4.189 4.054 0.135 1
1 633 . 1 1 1 A 52 52 GLN C C 52 176.965 178.055 -1.090 1
1 634 . 1 1 1 A 52 52 GLN CA C 52 56.977 58.440 -1.463 1
1 635 . 1 1 1 A 52 52 GLN CB C 52 28.858 28.512 0.346 1
1 637 . 1 1 1 A 52 52 GLN N N 52 118.262 119.391 -1.129 1
1 639 . 1 1 1 A 53 53 SER H H 53 8.088 8.336 -0.248 1
1 640 . 1 1 1 A 53 53 SER HA H 53 4.339 4.226 0.113 1
1 643 . 1 1 1 A 53 53 SER C C 53 175.679 176.657 -0.978 1
1 644 . 1 1 1 A 53 53 SER CA C 53 59.492 60.829 -1.337 1
1 645 . 1 1 1 A 53 53 SER CB C 53 63.849 62.527 1.322 1
1 646 . 1 1 1 A 53 53 SER N N 53 114.966 115.499 -0.533 1
1 647 . 1 1 1 A 54 54 GLY H H 54 8.228 8.351 -0.123 1
1 648 . 1 1 1 A 54 54 GLY HA2 H 54 3.939 3.955 -0.016 1
1 649 . 1 1 1 A 54 54 GLY HA3 H 54 3.867 3.968 -0.101 1
1 650 . 1 1 1 A 54 54 GLY C C 54 174.591 174.840 -0.249 1
1 651 . 1 1 1 A 54 54 GLY CA C 54 45.776 46.545 -0.769 1
1 652 . 1 1 1 A 54 54 GLY N N 54 110.315 110.025 0.290 1
1 653 . 1 1 1 A 55 55 LEU H H 55 7.846 7.595 0.251 1
1 654 . 1 1 1 A 55 55 LEU HA H 55 4.174 4.553 -0.379 1
1 664 . 1 1 1 A 55 55 LEU C C 55 177.315 175.900 1.415 1
1 665 . 1 1 1 A 55 55 LEU CA C 55 55.716 53.931 1.785 1
1 666 . 1 1 1 A 55 55 LEU CB C 55 42.103 40.634 1.469 1
1 670 . 1 1 1 A 55 55 LEU N N 55 121.456 119.795 1.661 1
1 671 . 1 1 1 A 56 56 TYR H H 56 7.960 8.038 -0.078 1
1 672 . 1 1 1 A 56 56 TYR HA H 56 4.450 4.647 -0.197 1
1 679 . 1 1 1 A 56 56 TYR C C 56 176.206 175.018 1.188 1
1 680 . 1 1 1 A 56 56 TYR CA C 56 58.242 56.236 2.006 1
1 681 . 1 1 1 A 56 56 TYR CB C 56 38.478 36.607 1.871 1
1 686 . 1 1 1 A 56 56 TYR N N 56 119.665 123.415 -3.750 1
1 687 . 1 1 1 A 57 57 LYS H H 57 8.015 8.524 -0.509 1
1 688 . 1 1 1 A 57 57 LYS HA H 57 4.154 4.178 -0.024 1
1 697 . 1 1 1 A 57 57 LYS C C 57 176.553 176.274 0.279 1
1 698 . 1 1 1 A 57 57 LYS CA C 57 56.656 57.866 -1.210 1
1 699 . 1 1 1 A 57 57 LYS CB C 57 32.870 33.394 -0.524 1
1 703 . 1 1 1 A 57 57 LYS N N 57 122.012 127.168 -5.156 1
1 704 . 1 1 1 A 58 58 LEU H H 58 8.035 8.054 -0.019 1
1 705 . 1 1 1 A 58 58 LEU HA H 58 4.185 4.501 -0.316 1
1 715 . 1 1 1 A 58 58 LEU C C 58 177.527 177.146 0.381 1
1 716 . 1 1 1 A 58 58 LEU CA C 58 55.574 53.499 2.075 1
1 717 . 1 1 1 A 58 58 LEU CB C 58 42.175 43.377 -1.202 1
1 721 . 1 1 1 A 58 58 LEU N N 58 122.265 118.455 3.810 1
1 722 . 1 1 1 A 59 59 GLU H H 59 8.253 8.769 -0.516 1
1 723 . 1 1 1 A 59 59 GLU HA H 59 4.123 4.264 -0.141 1
1 728 . 1 1 1 A 59 59 GLU C C 59 176.231 178.394 -2.163 1
1 729 . 1 1 1 A 59 59 GLU CA C 59 56.658 58.337 -1.679 1
1 730 . 1 1 1 A 59 59 GLU CB C 59 30.246 29.920 0.326 1
1 732 . 1 1 1 A 59 59 GLU N N 59 120.313 120.090 0.223 1
1 7 . 2 1 1 A 2 2 LYS H H 2 8.138 7.935 0.203 1
1 8 . 2 1 1 A 2 2 LYS HA H 2 4.325 4.403 -0.078 1
1 17 . 2 1 1 A 2 2 LYS C C 2 176.460 177.317 -0.857 1
1 18 . 2 1 1 A 2 2 LYS CA C 2 56.632 57.255 -0.623 1
1 19 . 2 1 1 A 2 2 LYS CB C 2 33.087 33.173 -0.086 1
1 23 . 2 1 1 A 2 2 LYS N N 2 125.275 116.402 8.873 1
1 24 . 2 1 1 A 3 3 ARG H H 3 8.624 7.730 0.894 1
1 25 . 2 1 1 A 3 3 ARG HA H 3 4.220 4.449 -0.229 1
1 32 . 2 1 1 A 3 3 ARG C C 3 176.426 175.395 1.031 1
1 33 . 2 1 1 A 3 3 ARG CA C 3 56.705 55.224 1.481 1
1 34 . 2 1 1 A 3 3 ARG CB C 3 30.577 32.028 -1.451 1
1 37 . 2 1 1 A 3 3 ARG N N 3 123.963 118.548 5.415 1
1 38 . 2 1 1 A 4 4 GLN H H 4 8.613 7.948 0.665 1
1 39 . 2 1 1 A 4 4 GLN HA H 4 4.221 3.991 0.230 1
1 46 . 2 1 1 A 4 4 GLN C C 4 176.604 176.142 0.462 1
1 47 . 2 1 1 A 4 4 GLN CA C 4 56.626 56.881 -0.255 1
1 48 . 2 1 1 A 4 4 GLN CB C 4 29.536 26.258 3.278 1
1 50 . 2 1 1 A 4 4 GLN N N 4 121.223 114.998 6.225 1
1 52 . 2 1 1 A 5 5 LYS H H 5 8.180 7.856 0.324 1
1 53 . 2 1 1 A 5 5 LYS HA H 5 4.161 3.926 0.235 1
1 62 . 2 1 1 A 5 5 LYS C C 5 176.971 178.609 -1.638 1
1 63 . 2 1 1 A 5 5 LYS CA C 5 57.367 59.309 -1.942 1
1 64 . 2 1 1 A 5 5 LYS CB C 5 32.873 32.248 0.625 1
1 68 . 2 1 1 A 5 5 LYS N N 5 122.464 118.429 4.035 1
1 69 . 2 1 1 A 6 6 ARG H H 6 8.345 8.009 0.336 1
1 70 . 2 1 1 A 6 6 ARG HA H 6 4.119 3.821 0.298 1
1 77 . 2 1 1 A 6 6 ARG C C 6 176.908 177.946 -1.038 1
1 78 . 2 1 1 A 6 6 ARG CA C 6 57.246 58.800 -1.554 1
1 79 . 2 1 1 A 6 6 ARG CB C 6 30.166 29.726 0.440 1
1 82 . 2 1 1 A 6 6 ARG N N 6 121.458 119.463 1.995 1
1 83 . 2 1 1 A 7 7 ASP H H 7 8.422 8.331 0.091 1
1 84 . 2 1 1 A 7 7 ASP HA H 7 4.414 4.246 0.168 1
1 87 . 2 1 1 A 7 7 ASP C C 7 177.562 178.667 -1.105 1
1 88 . 2 1 1 A 7 7 ASP CA C 7 55.809 57.175 -1.366 1
1 89 . 2 1 1 A 7 7 ASP CB C 7 41.064 42.155 -1.091 1
1 90 . 2 1 1 A 7 7 ASP N N 7 120.954 119.322 1.632 1
1 91 . 2 1 1 A 8 8 ARG H H 8 8.061 7.990 0.071 1
1 92 . 2 1 1 A 8 8 ARG HA H 8 3.971 4.132 -0.161 1
1 99 . 2 1 1 A 8 8 ARG C C 8 178.412 178.333 0.079 1
1 100 . 2 1 1 A 8 8 ARG CA C 8 59.160 58.302 0.858 1
1 101 . 2 1 1 A 8 8 ARG CB C 8 30.192 29.865 0.327 1
1 104 . 2 1 1 A 8 8 ARG N N 8 119.853 119.853 0.000 1
1 105 . 2 1 1 A 9 9 LEU H H 9 7.801 8.086 -0.285 1
1 106 . 2 1 1 A 9 9 LEU HA H 9 3.727 3.862 -0.135 1
1 116 . 2 1 1 A 9 9 LEU C C 9 178.182 178.666 -0.484 1
1 117 . 2 1 1 A 9 9 LEU CA C 9 57.192 55.971 1.221 1
1 118 . 2 1 1 A 9 9 LEU CB C 9 38.370 41.340 -2.970 1
1 122 . 2 1 1 A 9 9 LEU N N 9 121.052 119.184 1.868 1
1 123 . 2 1 1 A 10 10 GLU H H 10 8.172 8.600 -0.428 1
1 124 . 2 1 1 A 10 10 GLU HA H 10 4.014 3.975 0.039 1
1 129 . 2 1 1 A 10 10 GLU C C 10 180.022 179.111 0.911 1
1 130 . 2 1 1 A 10 10 GLU CA C 10 59.504 59.795 -0.291 1
1 131 . 2 1 1 A 10 10 GLU CB C 10 29.451 29.083 0.368 1
1 133 . 2 1 1 A 10 10 GLU N N 10 120.463 120.232 0.231 1
1 134 . 2 1 1 A 11 11 ARG H H 11 8.202 7.667 0.535 1
1 135 . 2 1 1 A 11 11 ARG HA H 11 4.117 4.043 0.074 1
1 142 . 2 1 1 A 11 11 ARG C C 11 178.321 179.338 -1.017 1
1 143 . 2 1 1 A 11 11 ARG CA C 11 59.328 59.011 0.317 1
1 144 . 2 1 1 A 11 11 ARG CB C 11 29.798 30.265 -0.467 1
1 147 . 2 1 1 A 11 11 ARG N N 11 119.987 120.077 -0.090 1
1 148 . 2 1 1 A 12 12 ALA H H 12 7.661 8.127 -0.466 1
1 149 . 2 1 1 A 12 12 ALA HA H 12 4.603 4.065 0.538 1
1 153 . 2 1 1 A 12 12 ALA C C 12 179.757 179.926 -0.169 1
1 154 . 2 1 1 A 12 12 ALA CA C 12 55.536 54.948 0.588 1
1 155 . 2 1 1 A 12 12 ALA CB C 12 18.423 17.830 0.593 1
1 156 . 2 1 1 A 12 12 ALA N N 12 122.208 121.955 0.253 1
1 157 . 2 1 1 A 13 13 GLN H H 13 8.205 8.284 -0.079 1
1 158 . 2 1 1 A 13 13 GLN HA H 13 4.332 4.136 0.196 1
1 165 . 2 1 1 A 13 13 GLN C C 13 178.128 178.000 0.128 1
1 166 . 2 1 1 A 13 13 GLN CA C 13 59.565 58.939 0.626 1
1 167 . 2 1 1 A 13 13 GLN CB C 13 29.572 28.959 0.613 1
1 169 . 2 1 1 A 13 13 GLN N N 13 118.449 119.197 -0.748 1
1 171 . 2 1 1 A 14 14 SER H H 14 8.245 7.640 0.605 1
1 172 . 2 1 1 A 14 14 SER HA H 14 4.281 4.237 0.044 1
1 175 . 2 1 1 A 14 14 SER C C 14 177.751 177.161 0.590 1
1 176 . 2 1 1 A 14 14 SER CA C 14 61.583 61.357 0.226 1
1 177 . 2 1 1 A 14 14 SER CB C 14 62.897 62.919 -0.022 1
1 178 . 2 1 1 A 14 14 SER N N 14 115.275 114.300 0.975 1
1 179 . 2 1 1 A 15 15 GLN H H 15 8.686 8.724 -0.038 1
1 180 . 2 1 1 A 15 15 GLN HA H 15 4.124 4.129 -0.005 1
1 187 . 2 1 1 A 15 15 GLN C C 15 179.621 178.425 1.196 1
1 188 . 2 1 1 A 15 15 GLN CA C 15 58.803 59.377 -0.574 1
1 189 . 2 1 1 A 15 15 GLN CB C 15 28.201 28.590 -0.389 1
1 191 . 2 1 1 A 15 15 GLN N N 15 121.722 121.218 0.504 1
1 193 . 2 1 1 A 16 16 GLY H H 16 8.439 8.454 -0.015 1
1 194 . 2 1 1 A 16 16 GLY HA2 H 16 1.849 2.567 -0.718 1
1 195 . 2 1 1 A 16 16 GLY HA3 H 16 3.742 3.083 0.659 1
1 196 . 2 1 1 A 16 16 GLY C C 16 175.080 175.176 -0.096 1
1 197 . 2 1 1 A 16 16 GLY CA C 16 45.784 46.740 -0.956 1
1 198 . 2 1 1 A 16 16 GLY N N 16 113.363 106.876 6.487 1
1 199 . 2 1 1 A 17 17 TYR H H 17 8.167 7.783 0.384 1
1 200 . 2 1 1 A 17 17 TYR HA H 17 4.014 4.227 -0.213 1
1 207 . 2 1 1 A 17 17 TYR C C 17 177.200 177.444 -0.244 1
1 208 . 2 1 1 A 17 17 TYR CA C 17 60.567 60.996 -0.429 1
1 209 . 2 1 1 A 17 17 TYR CB C 17 38.755 38.700 0.055 1
1 214 . 2 1 1 A 17 17 TYR N N 17 123.123 123.607 -0.484 1
1 215 . 2 1 1 A 18 18 LYS H H 18 8.003 7.866 0.137 1
1 216 . 2 1 1 A 18 18 LYS HA H 18 3.681 4.116 -0.435 1
1 225 . 2 1 1 A 18 18 LYS C C 18 178.838 179.074 -0.236 1
1 226 . 2 1 1 A 18 18 LYS CA C 18 59.677 58.944 0.733 1
1 227 . 2 1 1 A 18 18 LYS CB C 18 32.393 32.276 0.117 1
1 231 . 2 1 1 A 18 18 LYS N N 18 117.920 119.572 -1.652 1
1 232 . 2 1 1 A 19 19 ALA H H 19 8.067 8.947 -0.880 1
1 233 . 2 1 1 A 19 19 ALA HA H 19 4.194 4.213 -0.019 1
1 237 . 2 1 1 A 19 19 ALA C C 19 180.263 180.014 0.249 1
1 238 . 2 1 1 A 19 19 ALA CA C 19 55.349 54.898 0.451 1
1 239 . 2 1 1 A 19 19 ALA CB C 19 19.039 18.841 0.198 1
1 240 . 2 1 1 A 19 19 ALA N N 19 120.778 121.582 -0.804 1
1 241 . 2 1 1 A 20 20 GLY H H 20 8.527 8.121 0.406 1
1 242 . 2 1 1 A 20 20 GLY HA2 H 20 3.101 3.326 -0.225 1
1 243 . 2 1 1 A 20 20 GLY HA3 H 20 3.303 3.348 -0.045 1
1 244 . 2 1 1 A 20 20 GLY C C 20 177.818 175.642 2.176 1
1 245 . 2 1 1 A 20 20 GLY CA C 20 47.102 46.987 0.115 1
1 246 . 2 1 1 A 20 20 GLY N N 20 107.003 106.089 0.914 1
1 247 . 2 1 1 A 21 21 LEU H H 21 8.310 7.833 0.477 1
1 248 . 2 1 1 A 21 21 LEU HA H 21 3.696 4.130 -0.434 1
1 258 . 2 1 1 A 21 21 LEU C C 21 178.603 178.724 -0.121 1
1 259 . 2 1 1 A 21 21 LEU CA C 21 57.417 57.092 0.325 1
1 260 . 2 1 1 A 21 21 LEU CB C 21 41.798 42.206 -0.408 1
1 264 . 2 1 1 A 21 21 LEU N N 21 124.762 122.075 2.687 1
1 265 . 2 1 1 A 22 22 ASN H H 22 7.628 8.785 -1.157 1
1 266 . 2 1 1 A 22 22 ASN HA H 22 4.701 4.637 0.064 1
1 271 . 2 1 1 A 22 22 ASN C C 22 175.456 177.934 -2.478 1
1 272 . 2 1 1 A 22 22 ASN CA C 22 53.292 56.014 -2.722 1
1 273 . 2 1 1 A 22 22 ASN CB C 22 39.188 38.828 0.360 1
1 274 . 2 1 1 A 22 22 ASN N N 22 114.867 116.272 -1.405 1
1 276 . 2 1 1 A 23 23 GLY H H 23 7.586 8.507 -0.921 1
1 277 . 2 1 1 A 23 23 GLY HA2 H 23 3.810 4.012 -0.202 1
1 278 . 2 1 1 A 23 23 GLY HA3 H 23 4.102 4.103 -0.001 1
1 279 . 2 1 1 A 23 23 GLY C C 23 175.226 175.639 -0.413 1
1 280 . 2 1 1 A 23 23 GLY CA C 23 46.302 46.166 0.136 1
1 281 . 2 1 1 A 23 23 GLY N N 23 106.650 107.969 -1.319 1
1 282 . 2 1 1 A 24 24 ARG H H 24 8.156 8.713 -0.557 1
1 283 . 2 1 1 A 24 24 ARG HA H 24 4.508 4.113 0.395 1
1 290 . 2 1 1 A 24 24 ARG C C 24 177.405 175.143 2.262 1
1 291 . 2 1 1 A 24 24 ARG CA C 24 55.103 58.163 -3.060 1
1 292 . 2 1 1 A 24 24 ARG CB C 24 30.537 30.146 0.391 1
1 295 . 2 1 1 A 24 24 ARG N N 24 118.161 120.129 -1.968 1
1 296 . 2 1 1 A 25 25 SER H H 25 9.015 8.523 0.492 1
1 297 . 2 1 1 A 25 25 SER HA H 25 4.804 5.132 -0.328 1
1 300 . 2 1 1 A 25 25 SER C C 25 175.005 174.299 0.706 1
1 301 . 2 1 1 A 25 25 SER CA C 25 57.752 57.272 0.480 1
1 302 . 2 1 1 A 25 25 SER CB C 25 64.687 65.763 -1.076 1
1 303 . 2 1 1 A 25 25 SER N N 25 119.720 113.631 6.089 1
1 304 . 2 1 1 A 26 26 GLN H H 26 8.662 8.642 0.020 1
1 305 . 2 1 1 A 26 26 GLN HA H 26 3.162 3.916 -0.754 1
1 312 . 2 1 1 A 26 26 GLN C C 26 177.736 177.750 -0.014 1
1 313 . 2 1 1 A 26 26 GLN CA C 26 58.643 57.839 0.804 1
1 314 . 2 1 1 A 26 26 GLN CB C 26 27.352 28.126 -0.774 1
1 316 . 2 1 1 A 26 26 GLN N N 26 120.247 123.913 -3.666 1
1 318 . 2 1 1 A 27 27 GLU H H 27 8.244 7.897 0.347 1
1 319 . 2 1 1 A 27 27 GLU HA H 27 3.886 4.054 -0.168 1
1 324 . 2 1 1 A 27 27 GLU C C 27 176.177 177.837 -1.660 1
1 325 . 2 1 1 A 27 27 GLU CA C 27 57.807 57.935 -0.128 1
1 326 . 2 1 1 A 27 27 GLU CB C 27 28.583 29.604 -1.021 1
1 328 . 2 1 1 A 27 27 GLU N N 27 117.869 119.975 -2.106 1
1 329 . 2 1 1 A 28 28 ALA H H 28 7.451 7.088 0.363 1
1 330 . 2 1 1 A 28 28 ALA HA H 28 4.070 4.303 -0.233 1
1 334 . 2 1 1 A 28 28 ALA C C 28 176.063 176.684 -0.621 1
1 335 . 2 1 1 A 28 28 ALA CA C 28 51.945 52.122 -0.177 1
1 336 . 2 1 1 A 28 28 ALA CB C 28 18.113 18.883 -0.770 1
1 337 . 2 1 1 A 28 28 ALA N N 28 120.356 121.174 -0.818 1
1 338 . 2 1 1 A 29 29 CYS H H 29 6.591 6.828 -0.237 1
1 339 . 2 1 1 A 29 29 CYS HA H 29 1.828 3.768 -1.940 1
1 342 . 2 1 1 A 29 29 CYS CA C 29 56.231 55.077 1.154 1
1 343 . 2 1 1 A 29 29 CYS CB C 29 27.778 27.402 0.376 1
1 344 . 2 1 1 A 29 29 CYS N N 29 121.588 119.148 2.440 1
1 345 . 2 1 1 A 30 30 PRO HA H 30 4.323 4.239 0.084 1
1 352 . 2 1 1 A 30 30 PRO C C 30 175.515 177.141 -1.626 1
1 353 . 2 1 1 A 30 30 PRO CA C 30 63.382 63.427 -0.045 1
1 354 . 2 1 1 A 30 30 PRO CB C 30 31.551 31.985 -0.434 1
1 357 . 2 1 1 A 31 31 TYR H H 31 6.804 7.679 -0.875 1
1 358 . 2 1 1 A 31 31 TYR HA H 31 4.582 4.226 0.356 1
1 365 . 2 1 1 A 31 31 TYR C C 31 174.785 175.695 -0.910 1
1 366 . 2 1 1 A 31 31 TYR CA C 31 58.348 60.750 -2.402 1
1 367 . 2 1 1 A 31 31 TYR CB C 31 41.030 38.669 2.361 1
1 372 . 2 1 1 A 31 31 TYR N N 31 118.903 118.561 0.342 1
1 373 . 2 1 1 A 32 32 GLN H H 32 8.763 7.830 0.933 1
1 374 . 2 1 1 A 32 32 GLN HA H 32 4.344 4.651 -0.307 1
1 381 . 2 1 1 A 32 32 GLN C C 32 176.528 174.706 1.822 1
1 382 . 2 1 1 A 32 32 GLN CA C 32 55.996 54.773 1.223 1
1 383 . 2 1 1 A 32 32 GLN CB C 32 30.182 32.282 -2.100 1
1 385 . 2 1 1 A 32 32 GLN N N 32 120.327 115.038 5.289 1
1 387 . 2 1 1 A 33 33 GLN H H 33 8.230 8.804 -0.574 1
1 388 . 2 1 1 A 33 33 GLN HA H 33 4.262 4.411 -0.149 1
1 395 . 2 1 1 A 33 33 GLN C C 33 177.216 177.956 -0.740 1
1 396 . 2 1 1 A 33 33 GLN CA C 33 56.931 57.793 -0.862 1
1 397 . 2 1 1 A 33 33 GLN CB C 33 28.699 29.041 -0.342 1
1 399 . 2 1 1 A 33 33 GLN N N 33 121.712 121.394 0.318 1
1 401 . 2 1 1 A 34 34 VAL H H 34 8.484 8.086 0.398 1
1 402 . 2 1 1 A 34 34 VAL HA H 34 3.551 3.577 -0.026 1
1 410 . 2 1 1 A 34 34 VAL C C 34 177.685 177.736 -0.051 1
1 411 . 2 1 1 A 34 34 VAL CA C 34 66.570 66.805 -0.235 1
1 412 . 2 1 1 A 34 34 VAL CB C 34 31.946 31.668 0.278 1
1 415 . 2 1 1 A 34 34 VAL N N 34 122.145 120.059 2.086 1
1 416 . 2 1 1 A 35 35 ASP H H 35 8.324 8.146 0.178 1
1 417 . 2 1 1 A 35 35 ASP HA H 35 4.434 4.455 -0.021 1
1 420 . 2 1 1 A 35 35 ASP C C 35 177.892 178.780 -0.888 1
1 421 . 2 1 1 A 35 35 ASP CA C 35 56.826 57.318 -0.492 1
1 422 . 2 1 1 A 35 35 ASP CB C 35 38.807 40.124 -1.317 1
1 423 . 2 1 1 A 35 35 ASP N N 35 120.937 119.353 1.584 1
1 424 . 2 1 1 A 36 36 ALA H H 36 8.431 8.281 0.150 1
1 425 . 2 1 1 A 36 36 ALA HA H 36 3.598 4.090 -0.492 1
1 429 . 2 1 1 A 36 36 ALA C C 36 178.949 180.264 -1.315 1
1 430 . 2 1 1 A 36 36 ALA CA C 36 55.327 55.410 -0.083 1
1 431 . 2 1 1 A 36 36 ALA CB C 36 17.371 18.310 -0.939 1
1 432 . 2 1 1 A 36 36 ALA N N 36 126.210 123.046 3.164 1
1 433 . 2 1 1 A 37 37 ARG H H 37 8.458 8.776 -0.318 1
1 434 . 2 1 1 A 37 37 ARG HA H 37 3.857 4.293 -0.436 1
1 442 . 2 1 1 A 37 37 ARG C C 37 177.746 179.108 -1.362 1
1 443 . 2 1 1 A 37 37 ARG CA C 37 60.636 59.174 1.462 1
1 444 . 2 1 1 A 37 37 ARG CB C 37 29.931 30.162 -0.231 1
1 447 . 2 1 1 A 37 37 ARG N N 37 116.717 118.160 -1.443 1
1 449 . 2 1 1 A 38 38 SER H H 38 8.173 7.960 0.213 1
1 450 . 2 1 1 A 38 38 SER HA H 38 4.130 4.223 -0.093 1
1 451 . 2 1 1 A 38 38 SER C C 38 178.293 175.356 2.937 1
1 452 . 2 1 1 A 38 38 SER CA C 38 62.627 62.440 0.187 1
1 453 . 2 1 1 A 38 38 SER N N 38 114.110 117.813 -3.703 1
1 454 . 2 1 1 A 39 39 TYR H H 39 8.343 7.617 0.726 1
1 455 . 2 1 1 A 39 39 TYR HA H 39 4.213 4.538 -0.325 1
1 462 . 2 1 1 A 39 39 TYR C C 39 178.701 178.456 0.245 1
1 463 . 2 1 1 A 39 39 TYR CA C 39 62.466 60.282 2.184 1
1 464 . 2 1 1 A 39 39 TYR CB C 39 38.687 39.457 -0.770 1
1 469 . 2 1 1 A 39 39 TYR N N 39 123.318 118.421 4.897 1
1 470 . 2 1 1 A 40 40 TRP H H 40 8.818 9.248 -0.430 1
1 471 . 2 1 1 A 40 40 TRP HA H 40 4.586 4.630 -0.044 1
1 480 . 2 1 1 A 40 40 TRP C C 40 179.359 178.006 1.353 1
1 481 . 2 1 1 A 40 40 TRP CA C 40 61.953 60.589 1.364 1
1 482 . 2 1 1 A 40 40 TRP CB C 40 31.349 30.132 1.217 1
1 488 . 2 1 1 A 40 40 TRP N N 40 123.286 122.517 0.769 1
1 490 . 2 1 1 A 41 41 LEU H H 41 9.368 8.364 1.004 1
1 491 . 2 1 1 A 41 41 LEU HA H 41 4.405 4.153 0.252 1
1 501 . 2 1 1 A 41 41 LEU C C 41 179.498 178.892 0.606 1
1 502 . 2 1 1 A 41 41 LEU CA C 41 58.206 58.008 0.198 1
1 503 . 2 1 1 A 41 41 LEU CB C 41 41.754 41.881 -0.127 1
1 507 . 2 1 1 A 41 41 LEU N N 41 119.265 121.104 -1.839 1
1 508 . 2 1 1 A 42 42 GLY H H 42 8.283 8.456 -0.173 1
1 509 . 2 1 1 A 42 42 GLY HA2 H 42 3.857 3.831 0.026 1
1 510 . 2 1 1 A 42 42 GLY HA3 H 42 3.929 3.858 0.071 1
1 511 . 2 1 1 A 42 42 GLY C C 42 176.508 176.750 -0.242 1
1 512 . 2 1 1 A 42 42 GLY CA C 42 47.412 47.518 -0.106 1
1 513 . 2 1 1 A 42 42 GLY N N 42 108.413 106.843 1.570 1
1 514 . 2 1 1 A 43 43 GLY H H 43 8.181 7.890 0.291 1
1 515 . 2 1 1 A 43 43 GLY HA2 H 43 4.124 3.819 0.305 1
1 516 . 2 1 1 A 43 43 GLY HA3 H 43 4.258 3.844 0.414 1
1 517 . 2 1 1 A 43 43 GLY C C 43 174.891 175.653 -0.762 1
1 518 . 2 1 1 A 43 43 GLY CA C 43 47.341 47.005 0.336 1
1 519 . 2 1 1 A 43 43 GLY N N 43 109.904 108.913 0.991 1
1 520 . 2 1 1 A 44 44 TRP H H 44 8.460 8.098 0.362 1
1 521 . 2 1 1 A 44 44 TRP HA H 44 3.578 4.201 -0.623 1
1 530 . 2 1 1 A 44 44 TRP C C 44 178.547 177.803 0.744 1
1 531 . 2 1 1 A 44 44 TRP CA C 44 62.646 60.021 2.625 1
1 532 . 2 1 1 A 44 44 TRP CB C 44 29.467 29.416 0.051 1
1 538 . 2 1 1 A 44 44 TRP N N 44 124.152 124.190 -0.038 1
1 540 . 2 1 1 A 45 45 ARG H H 45 8.759 8.664 0.095 1
1 541 . 2 1 1 A 45 45 ARG HA H 45 3.669 3.553 0.116 1
1 549 . 2 1 1 A 45 45 ARG C C 45 178.784 177.952 0.832 1
1 550 . 2 1 1 A 45 45 ARG CA C 45 59.785 59.686 0.099 1
1 551 . 2 1 1 A 45 45 ARG CB C 45 30.295 29.725 0.570 1
1 554 . 2 1 1 A 45 45 ARG N N 45 118.655 119.651 -0.996 1
1 556 . 2 1 1 A 46 46 ASP H H 46 8.084 8.126 -0.042 1
1 557 . 2 1 1 A 46 46 ASP HA H 46 4.362 4.212 0.150 1
1 560 . 2 1 1 A 46 46 ASP C C 46 178.818 177.720 1.098 1
1 561 . 2 1 1 A 46 46 ASP CA C 46 57.518 57.911 -0.393 1
1 562 . 2 1 1 A 46 46 ASP CB C 46 39.752 42.215 -2.463 1
1 563 . 2 1 1 A 46 46 ASP N N 46 120.646 119.416 1.230 1
1 564 . 2 1 1 A 47 47 ALA H H 47 7.873 7.843 0.030 1
1 565 . 2 1 1 A 47 47 ALA HA H 47 3.627 3.500 0.127 1
1 569 . 2 1 1 A 47 47 ALA C C 47 179.397 178.777 0.620 1
1 570 . 2 1 1 A 47 47 ALA CA C 47 54.962 54.879 0.083 1
1 571 . 2 1 1 A 47 47 ALA CB C 47 18.940 17.376 1.564 1
1 572 . 2 1 1 A 47 47 ALA N N 47 122.126 121.471 0.655 1
1 573 . 2 1 1 A 48 48 ARG H H 48 7.587 7.316 0.271 1
1 574 . 2 1 1 A 48 48 ARG HA H 48 3.538 3.766 -0.228 1
1 582 . 2 1 1 A 48 48 ARG C C 48 178.647 177.871 0.776 1
1 583 . 2 1 1 A 48 48 ARG CA C 48 57.880 59.102 -1.222 1
1 584 . 2 1 1 A 48 48 ARG CB C 48 28.753 29.503 -0.750 1
1 587 . 2 1 1 A 48 48 ARG N N 48 117.721 118.047 -0.326 1
1 589 . 2 1 1 A 49 49 ASP H H 49 8.249 8.251 -0.002 1
1 590 . 2 1 1 A 49 49 ASP HA H 49 4.383 4.330 0.053 1
1 593 . 2 1 1 A 49 49 ASP C C 49 178.360 178.446 -0.086 1
1 594 . 2 1 1 A 49 49 ASP CA C 49 56.330 56.276 0.054 1
1 595 . 2 1 1 A 49 49 ASP CB C 49 40.401 40.748 -0.347 1
1 596 . 2 1 1 A 49 49 ASP N N 49 119.997 119.227 0.770 1
1 597 . 2 1 1 A 50 50 GLU H H 50 8.060 7.691 0.369 1
1 598 . 2 1 1 A 50 50 GLU HA H 50 4.007 4.046 -0.039 1
1 603 . 2 1 1 A 50 50 GLU C C 50 178.675 178.327 0.348 1
1 604 . 2 1 1 A 50 50 GLU CA C 50 58.740 58.898 -0.158 1
1 605 . 2 1 1 A 50 50 GLU CB C 50 29.585 29.508 0.077 1
1 607 . 2 1 1 A 50 50 GLU N N 50 121.823 118.670 3.153 1
1 608 . 2 1 1 A 51 51 LYS H H 51 8.089 7.573 0.516 1
1 609 . 2 1 1 A 51 51 LYS HA H 51 4.057 4.258 -0.201 1
1 618 . 2 1 1 A 51 51 LYS C C 51 178.241 178.836 -0.595 1
1 619 . 2 1 1 A 51 51 LYS CA C 51 57.727 57.798 -0.071 1
1 620 . 2 1 1 A 51 51 LYS CB C 51 32.090 32.625 -0.535 1
1 624 . 2 1 1 A 51 51 LYS N N 51 119.415 118.539 0.876 1
1 625 . 2 1 1 A 52 52 GLN H H 52 8.043 7.651 0.392 1
1 626 . 2 1 1 A 52 52 GLN HA H 52 4.189 4.044 0.145 1
1 633 . 2 1 1 A 52 52 GLN C C 52 176.965 178.121 -1.156 1
1 634 . 2 1 1 A 52 52 GLN CA C 52 56.977 58.626 -1.649 1
1 635 . 2 1 1 A 52 52 GLN CB C 52 28.858 28.603 0.255 1
1 637 . 2 1 1 A 52 52 GLN N N 52 118.262 120.239 -1.977 1
1 639 . 2 1 1 A 53 53 SER H H 53 8.088 8.559 -0.471 1
1 640 . 2 1 1 A 53 53 SER HA H 53 4.339 4.273 0.066 1
1 643 . 2 1 1 A 53 53 SER C C 53 175.679 177.098 -1.419 1
1 644 . 2 1 1 A 53 53 SER CA C 53 59.492 60.565 -1.073 1
1 645 . 2 1 1 A 53 53 SER CB C 53 63.849 63.269 0.580 1
1 646 . 2 1 1 A 53 53 SER N N 53 114.966 116.058 -1.092 1
1 647 . 2 1 1 A 54 54 GLY H H 54 8.228 8.153 0.075 1
1 648 . 2 1 1 A 54 54 GLY HA2 H 54 3.939 3.836 0.103 1
1 649 . 2 1 1 A 54 54 GLY HA3 H 54 3.867 3.865 0.002 1
1 650 . 2 1 1 A 54 54 GLY C C 54 174.591 173.777 0.814 1
1 651 . 2 1 1 A 54 54 GLY CA C 54 45.776 46.748 -0.972 1
1 652 . 2 1 1 A 54 54 GLY N N 54 110.315 109.174 1.141 1
1 653 . 2 1 1 A 55 55 LEU H H 55 7.846 7.714 0.132 1
1 654 . 2 1 1 A 55 55 LEU HA H 55 4.174 3.646 0.528 1
1 664 . 2 1 1 A 55 55 LEU C C 55 177.315 176.315 1.000 1
1 665 . 2 1 1 A 55 55 LEU CA C 55 55.716 55.874 -0.158 1
1 666 . 2 1 1 A 55 55 LEU CB C 55 42.103 39.841 2.262 1
1 670 . 2 1 1 A 55 55 LEU N N 55 121.456 116.195 5.261 1
1 671 . 2 1 1 A 56 56 TYR H H 56 7.960 7.839 0.121 1
1 672 . 2 1 1 A 56 56 TYR HA H 56 4.450 4.534 -0.084 1
1 679 . 2 1 1 A 56 56 TYR C C 56 176.206 175.012 1.194 1
1 680 . 2 1 1 A 56 56 TYR CA C 56 58.242 58.089 0.153 1
1 681 . 2 1 1 A 56 56 TYR CB C 56 38.478 38.212 0.266 1
1 686 . 2 1 1 A 56 56 TYR N N 56 119.665 117.919 1.746 1
1 687 . 2 1 1 A 57 57 LYS H H 57 8.015 7.731 0.284 1
1 688 . 2 1 1 A 57 57 LYS HA H 57 4.154 4.015 0.139 1
1 697 . 2 1 1 A 57 57 LYS C C 57 176.553 176.249 0.304 1
1 698 . 2 1 1 A 57 57 LYS CA C 57 56.656 56.721 -0.065 1
1 699 . 2 1 1 A 57 57 LYS CB C 57 32.870 30.382 2.488 1
1 703 . 2 1 1 A 57 57 LYS N N 57 122.012 114.503 7.509 1
1 704 . 2 1 1 A 58 58 LEU H H 58 8.035 7.629 0.406 1
1 705 . 2 1 1 A 58 58 LEU HA H 58 4.185 3.870 0.315 1
1 715 . 2 1 1 A 58 58 LEU C C 58 177.527 177.327 0.200 1
1 716 . 2 1 1 A 58 58 LEU CA C 58 55.574 57.693 -2.119 1
1 717 . 2 1 1 A 58 58 LEU CB C 58 42.175 41.889 0.286 1
1 721 . 2 1 1 A 58 58 LEU N N 58 122.265 120.017 2.248 1
1 722 . 2 1 1 A 59 59 GLU H H 59 8.253 7.728 0.525 1
1 723 . 2 1 1 A 59 59 GLU HA H 59 4.123 4.052 0.071 1
1 728 . 2 1 1 A 59 59 GLU C C 59 176.231 176.761 -0.530 1
1 729 . 2 1 1 A 59 59 GLU CA C 59 56.658 56.576 0.082 1
1 730 . 2 1 1 A 59 59 GLU CB C 59 30.246 30.199 0.047 1
1 732 . 2 1 1 A 59 59 GLU N N 59 120.313 118.248 2.065 1
1 7 . 3 1 1 A 2 2 LYS H H 2 8.138 8.543 -0.405 1
1 8 . 3 1 1 A 2 2 LYS HA H 2 4.325 4.443 -0.118 1
1 17 . 3 1 1 A 2 2 LYS C C 2 176.460 175.456 1.004 1
1 18 . 3 1 1 A 2 2 LYS CA C 2 56.632 55.892 0.740 1
1 19 . 3 1 1 A 2 2 LYS CB C 2 33.087 31.348 1.739 1
1 23 . 3 1 1 A 2 2 LYS N N 2 125.275 123.760 1.515 1
1 24 . 3 1 1 A 3 3 ARG H H 3 8.624 8.138 0.486 1
1 25 . 3 1 1 A 3 3 ARG HA H 3 4.220 4.650 -0.430 1
1 32 . 3 1 1 A 3 3 ARG C C 3 176.426 174.865 1.561 1
1 33 . 3 1 1 A 3 3 ARG CA C 3 56.705 55.110 1.595 1
1 34 . 3 1 1 A 3 3 ARG CB C 3 30.577 31.030 -0.453 1
1 37 . 3 1 1 A 3 3 ARG N N 3 123.963 126.093 -2.130 1
1 38 . 3 1 1 A 4 4 GLN H H 4 8.613 7.611 1.002 1
1 39 . 3 1 1 A 4 4 GLN HA H 4 4.221 4.503 -0.282 1
1 46 . 3 1 1 A 4 4 GLN C C 4 176.604 177.254 -0.650 1
1 47 . 3 1 1 A 4 4 GLN CA C 4 56.626 55.140 1.486 1
1 48 . 3 1 1 A 4 4 GLN CB C 4 29.536 30.123 -0.587 1
1 50 . 3 1 1 A 4 4 GLN N N 4 121.223 121.304 -0.081 1
1 52 . 3 1 1 A 5 5 LYS H H 5 8.180 8.620 -0.440 1
1 53 . 3 1 1 A 5 5 LYS HA H 5 4.161 3.880 0.281 1
1 62 . 3 1 1 A 5 5 LYS C C 5 176.971 178.812 -1.841 1
1 63 . 3 1 1 A 5 5 LYS CA C 5 57.367 59.807 -2.440 1
1 64 . 3 1 1 A 5 5 LYS CB C 5 32.873 32.285 0.588 1
1 68 . 3 1 1 A 5 5 LYS N N 5 122.464 122.896 -0.432 1
1 69 . 3 1 1 A 6 6 ARG H H 6 8.345 7.879 0.466 1
1 70 . 3 1 1 A 6 6 ARG HA H 6 4.119 3.734 0.385 1
1 77 . 3 1 1 A 6 6 ARG C C 6 176.908 177.990 -1.082 1
1 78 . 3 1 1 A 6 6 ARG CA C 6 57.246 58.944 -1.698 1
1 79 . 3 1 1 A 6 6 ARG CB C 6 30.166 29.904 0.262 1
1 82 . 3 1 1 A 6 6 ARG N N 6 121.458 119.537 1.921 1
1 83 . 3 1 1 A 7 7 ASP H H 7 8.422 8.360 0.062 1
1 84 . 3 1 1 A 7 7 ASP HA H 7 4.414 4.221 0.193 1
1 87 . 3 1 1 A 7 7 ASP C C 7 177.562 178.367 -0.805 1
1 88 . 3 1 1 A 7 7 ASP CA C 7 55.809 57.017 -1.208 1
1 89 . 3 1 1 A 7 7 ASP CB C 7 41.064 41.507 -0.443 1
1 90 . 3 1 1 A 7 7 ASP N N 7 120.954 119.306 1.648 1
1 91 . 3 1 1 A 8 8 ARG H H 8 8.061 7.773 0.288 1
1 92 . 3 1 1 A 8 8 ARG HA H 8 3.971 4.112 -0.141 1
1 99 . 3 1 1 A 8 8 ARG C C 8 178.412 177.270 1.142 1
1 100 . 3 1 1 A 8 8 ARG CA C 8 59.160 58.059 1.101 1
1 101 . 3 1 1 A 8 8 ARG CB C 8 30.192 29.703 0.489 1
1 104 . 3 1 1 A 8 8 ARG N N 8 119.853 118.346 1.507 1
1 105 . 3 1 1 A 9 9 LEU H H 9 7.801 7.634 0.167 1
1 106 . 3 1 1 A 9 9 LEU HA H 9 3.727 3.957 -0.230 1
1 116 . 3 1 1 A 9 9 LEU C C 9 178.182 178.744 -0.562 1
1 117 . 3 1 1 A 9 9 LEU CA C 9 57.192 56.359 0.833 1
1 118 . 3 1 1 A 9 9 LEU CB C 9 38.370 41.302 -2.932 1
1 122 . 3 1 1 A 9 9 LEU N N 9 121.052 120.135 0.917 1
1 123 . 3 1 1 A 10 10 GLU H H 10 8.172 8.620 -0.448 1
1 124 . 3 1 1 A 10 10 GLU HA H 10 4.014 3.829 0.185 1
1 129 . 3 1 1 A 10 10 GLU C C 10 180.022 178.431 1.591 1
1 130 . 3 1 1 A 10 10 GLU CA C 10 59.504 59.651 -0.147 1
1 131 . 3 1 1 A 10 10 GLU CB C 10 29.451 29.100 0.351 1
1 133 . 3 1 1 A 10 10 GLU N N 10 120.463 120.349 0.114 1
1 134 . 3 1 1 A 11 11 ARG H H 11 8.202 7.434 0.768 1
1 135 . 3 1 1 A 11 11 ARG HA H 11 4.117 4.023 0.094 1
1 142 . 3 1 1 A 11 11 ARG C C 11 178.321 178.799 -0.478 1
1 143 . 3 1 1 A 11 11 ARG CA C 11 59.328 58.724 0.604 1
1 144 . 3 1 1 A 11 11 ARG CB C 11 29.798 29.726 0.072 1
1 147 . 3 1 1 A 11 11 ARG N N 11 119.987 119.018 0.969 1
1 148 . 3 1 1 A 12 12 ALA H H 12 7.661 8.010 -0.349 1
1 149 . 3 1 1 A 12 12 ALA HA H 12 4.603 3.720 0.883 1
1 153 . 3 1 1 A 12 12 ALA C C 12 179.757 179.283 0.474 1
1 154 . 3 1 1 A 12 12 ALA CA C 12 55.536 54.816 0.720 1
1 155 . 3 1 1 A 12 12 ALA CB C 12 18.423 18.184 0.239 1
1 156 . 3 1 1 A 12 12 ALA N N 12 122.208 122.145 0.063 1
1 157 . 3 1 1 A 13 13 GLN H H 13 8.205 8.213 -0.008 1
1 158 . 3 1 1 A 13 13 GLN HA H 13 4.332 4.146 0.186 1
1 165 . 3 1 1 A 13 13 GLN C C 13 178.128 178.347 -0.219 1
1 166 . 3 1 1 A 13 13 GLN CA C 13 59.565 57.839 1.726 1
1 167 . 3 1 1 A 13 13 GLN CB C 13 29.572 29.064 0.508 1
1 169 . 3 1 1 A 13 13 GLN N N 13 118.449 118.703 -0.254 1
1 171 . 3 1 1 A 14 14 SER H H 14 8.245 8.297 -0.052 1
1 172 . 3 1 1 A 14 14 SER HA H 14 4.281 4.189 0.092 1
1 175 . 3 1 1 A 14 14 SER C C 14 177.751 176.052 1.699 1
1 176 . 3 1 1 A 14 14 SER CA C 14 61.583 61.715 -0.132 1
1 177 . 3 1 1 A 14 14 SER CB C 14 62.897 63.013 -0.116 1
1 178 . 3 1 1 A 14 14 SER N N 14 115.275 117.375 -2.100 1
1 179 . 3 1 1 A 15 15 GLN H H 15 8.686 8.871 -0.185 1
1 180 . 3 1 1 A 15 15 GLN HA H 15 4.124 4.130 -0.006 1
1 187 . 3 1 1 A 15 15 GLN C C 15 179.621 178.550 1.071 1
1 188 . 3 1 1 A 15 15 GLN CA C 15 58.803 59.524 -0.721 1
1 189 . 3 1 1 A 15 15 GLN CB C 15 28.201 28.372 -0.171 1
1 191 . 3 1 1 A 15 15 GLN N N 15 121.722 120.986 0.736 1
1 193 . 3 1 1 A 16 16 GLY H H 16 8.439 8.751 -0.312 1
1 194 . 3 1 1 A 16 16 GLY HA2 H 16 1.849 2.648 -0.799 1
1 195 . 3 1 1 A 16 16 GLY HA3 H 16 3.742 3.194 0.548 1
1 196 . 3 1 1 A 16 16 GLY C C 16 175.080 175.259 -0.179 1
1 197 . 3 1 1 A 16 16 GLY CA C 16 45.784 46.843 -1.059 1
1 198 . 3 1 1 A 16 16 GLY N N 16 113.363 106.761 6.602 1
1 199 . 3 1 1 A 17 17 TYR H H 17 8.167 7.644 0.523 1
1 200 . 3 1 1 A 17 17 TYR HA H 17 4.014 4.020 -0.006 1
1 207 . 3 1 1 A 17 17 TYR C C 17 177.200 178.084 -0.884 1
1 208 . 3 1 1 A 17 17 TYR CA C 17 60.567 60.971 -0.404 1
1 209 . 3 1 1 A 17 17 TYR CB C 17 38.755 38.371 0.384 1
1 214 . 3 1 1 A 17 17 TYR N N 17 123.123 123.421 -0.298 1
1 215 . 3 1 1 A 18 18 LYS H H 18 8.003 7.833 0.170 1
1 216 . 3 1 1 A 18 18 LYS HA H 18 3.681 4.073 -0.392 1
1 225 . 3 1 1 A 18 18 LYS C C 18 178.838 178.262 0.576 1
1 226 . 3 1 1 A 18 18 LYS CA C 18 59.677 58.745 0.932 1
1 227 . 3 1 1 A 18 18 LYS CB C 18 32.393 31.877 0.516 1
1 231 . 3 1 1 A 18 18 LYS N N 18 117.920 119.227 -1.307 1
1 232 . 3 1 1 A 19 19 ALA H H 19 8.067 7.859 0.208 1
1 233 . 3 1 1 A 19 19 ALA HA H 19 4.194 4.286 -0.092 1
1 237 . 3 1 1 A 19 19 ALA C C 19 180.263 180.091 0.172 1
1 238 . 3 1 1 A 19 19 ALA CA C 19 55.349 54.443 0.906 1
1 239 . 3 1 1 A 19 19 ALA CB C 19 19.039 19.056 -0.017 1
1 240 . 3 1 1 A 19 19 ALA N N 19 120.778 122.044 -1.266 1
1 241 . 3 1 1 A 20 20 GLY H H 20 8.527 7.906 0.621 1
1 242 . 3 1 1 A 20 20 GLY HA2 H 20 3.101 3.213 -0.112 1
1 243 . 3 1 1 A 20 20 GLY HA3 H 20 3.303 3.347 -0.044 1
1 244 . 3 1 1 A 20 20 GLY C C 20 177.818 175.856 1.962 1
1 245 . 3 1 1 A 20 20 GLY CA C 20 47.102 47.062 0.040 1
1 246 . 3 1 1 A 20 20 GLY N N 20 107.003 106.314 0.689 1
1 247 . 3 1 1 A 21 21 LEU H H 21 8.310 7.855 0.455 1
1 248 . 3 1 1 A 21 21 LEU HA H 21 3.696 3.930 -0.234 1
1 258 . 3 1 1 A 21 21 LEU C C 21 178.603 178.238 0.365 1
1 259 . 3 1 1 A 21 21 LEU CA C 21 57.417 57.551 -0.134 1
1 260 . 3 1 1 A 21 21 LEU CB C 21 41.798 42.110 -0.312 1
1 264 . 3 1 1 A 21 21 LEU N N 21 124.762 122.542 2.220 1
1 265 . 3 1 1 A 22 22 ASN H H 22 7.628 8.460 -0.832 1
1 266 . 3 1 1 A 22 22 ASN HA H 22 4.701 4.669 0.032 1
1 271 . 3 1 1 A 22 22 ASN C C 22 175.456 178.519 -3.063 1
1 272 . 3 1 1 A 22 22 ASN CA C 22 53.292 55.424 -2.132 1
1 273 . 3 1 1 A 22 22 ASN CB C 22 39.188 38.438 0.750 1
1 274 . 3 1 1 A 22 22 ASN N N 22 114.867 114.573 0.294 1
1 276 . 3 1 1 A 23 23 GLY H H 23 7.586 8.185 -0.599 1
1 277 . 3 1 1 A 23 23 GLY HA2 H 23 3.810 3.917 -0.107 1
1 278 . 3 1 1 A 23 23 GLY HA3 H 23 4.102 4.010 0.092 1
1 279 . 3 1 1 A 23 23 GLY C C 23 175.226 174.747 0.479 1
1 280 . 3 1 1 A 23 23 GLY CA C 23 46.302 46.671 -0.369 1
1 281 . 3 1 1 A 23 23 GLY N N 23 106.650 109.663 -3.013 1
1 282 . 3 1 1 A 24 24 ARG H H 24 8.156 7.815 0.341 1
1 283 . 3 1 1 A 24 24 ARG HA H 24 4.508 3.943 0.565 1
1 290 . 3 1 1 A 24 24 ARG C C 24 177.405 175.306 2.099 1
1 291 . 3 1 1 A 24 24 ARG CA C 24 55.103 58.999 -3.896 1
1 292 . 3 1 1 A 24 24 ARG CB C 24 30.537 28.407 2.130 1
1 295 . 3 1 1 A 24 24 ARG N N 24 118.161 116.217 1.944 1
1 296 . 3 1 1 A 25 25 SER H H 25 9.015 8.881 0.134 1
1 297 . 3 1 1 A 25 25 SER HA H 25 4.804 5.095 -0.291 1
1 300 . 3 1 1 A 25 25 SER C C 25 175.005 174.506 0.499 1
1 301 . 3 1 1 A 25 25 SER CA C 25 57.752 57.429 0.323 1
1 302 . 3 1 1 A 25 25 SER CB C 25 64.687 65.547 -0.860 1
1 303 . 3 1 1 A 25 25 SER N N 25 119.720 114.022 5.698 1
1 304 . 3 1 1 A 26 26 GLN H H 26 8.662 8.618 0.044 1
1 305 . 3 1 1 A 26 26 GLN HA H 26 3.162 4.110 -0.948 1
1 312 . 3 1 1 A 26 26 GLN C C 26 177.736 177.035 0.701 1
1 313 . 3 1 1 A 26 26 GLN CA C 26 58.643 57.721 0.922 1
1 314 . 3 1 1 A 26 26 GLN CB C 26 27.352 28.204 -0.852 1
1 316 . 3 1 1 A 26 26 GLN N N 26 120.247 123.257 -3.010 1
1 318 . 3 1 1 A 27 27 GLU H H 27 8.244 7.966 0.278 1
1 319 . 3 1 1 A 27 27 GLU HA H 27 3.886 4.140 -0.254 1
1 324 . 3 1 1 A 27 27 GLU C C 27 176.177 177.601 -1.424 1
1 325 . 3 1 1 A 27 27 GLU CA C 27 57.807 56.637 1.170 1
1 326 . 3 1 1 A 27 27 GLU CB C 27 28.583 29.349 -0.766 1
1 328 . 3 1 1 A 27 27 GLU N N 27 117.869 120.034 -2.165 1
1 329 . 3 1 1 A 28 28 ALA H H 28 7.451 8.031 -0.580 1
1 330 . 3 1 1 A 28 28 ALA HA H 28 4.070 4.460 -0.390 1
1 334 . 3 1 1 A 28 28 ALA C C 28 176.063 176.493 -0.430 1
1 335 . 3 1 1 A 28 28 ALA CA C 28 51.945 51.410 0.535 1
1 336 . 3 1 1 A 28 28 ALA CB C 28 18.113 19.019 -0.906 1
1 337 . 3 1 1 A 28 28 ALA N N 28 120.356 122.075 -1.719 1
1 338 . 3 1 1 A 29 29 CYS H H 29 6.591 7.254 -0.663 1
1 339 . 3 1 1 A 29 29 CYS HA H 29 1.828 3.878 -2.050 1
1 342 . 3 1 1 A 29 29 CYS CA C 29 56.231 55.058 1.173 1
1 343 . 3 1 1 A 29 29 CYS CB C 29 27.778 27.552 0.226 1
1 344 . 3 1 1 A 29 29 CYS N N 29 121.588 118.885 2.703 1
1 345 . 3 1 1 A 30 30 PRO HA H 30 4.323 4.342 -0.019 1
1 352 . 3 1 1 A 30 30 PRO C C 30 175.515 175.658 -0.143 1
1 353 . 3 1 1 A 30 30 PRO CA C 30 63.382 63.671 -0.289 1
1 354 . 3 1 1 A 30 30 PRO CB C 30 31.551 32.468 -0.917 1
1 357 . 3 1 1 A 31 31 TYR H H 31 6.804 7.954 -1.150 1
1 358 . 3 1 1 A 31 31 TYR HA H 31 4.582 4.589 -0.007 1
1 365 . 3 1 1 A 31 31 TYR C C 31 174.785 175.786 -1.001 1
1 366 . 3 1 1 A 31 31 TYR CA C 31 58.348 59.011 -0.663 1
1 367 . 3 1 1 A 31 31 TYR CB C 31 41.030 40.594 0.436 1
1 372 . 3 1 1 A 31 31 TYR N N 31 118.903 120.435 -1.532 1
1 373 . 3 1 1 A 32 32 GLN H H 32 8.763 7.489 1.274 1
1 374 . 3 1 1 A 32 32 GLN HA H 32 4.344 4.634 -0.290 1
1 381 . 3 1 1 A 32 32 GLN C C 32 176.528 174.376 2.152 1
1 382 . 3 1 1 A 32 32 GLN CA C 32 55.996 55.326 0.670 1
1 383 . 3 1 1 A 32 32 GLN CB C 32 30.182 31.913 -1.731 1
1 385 . 3 1 1 A 32 32 GLN N N 32 120.327 115.090 5.237 1
1 387 . 3 1 1 A 33 33 GLN H H 33 8.230 8.833 -0.603 1
1 388 . 3 1 1 A 33 33 GLN HA H 33 4.262 4.400 -0.138 1
1 395 . 3 1 1 A 33 33 GLN C C 33 177.216 177.536 -0.320 1
1 396 . 3 1 1 A 33 33 GLN CA C 33 56.931 57.602 -0.671 1
1 397 . 3 1 1 A 33 33 GLN CB C 33 28.699 29.252 -0.553 1
1 399 . 3 1 1 A 33 33 GLN N N 33 121.712 121.200 0.512 1
1 401 . 3 1 1 A 34 34 VAL H H 34 8.484 8.031 0.453 1
1 402 . 3 1 1 A 34 34 VAL HA H 34 3.551 3.515 0.036 1
1 410 . 3 1 1 A 34 34 VAL C C 34 177.685 177.851 -0.166 1
1 411 . 3 1 1 A 34 34 VAL CA C 34 66.570 66.366 0.204 1
1 412 . 3 1 1 A 34 34 VAL CB C 34 31.946 31.643 0.303 1
1 415 . 3 1 1 A 34 34 VAL N N 34 122.145 119.912 2.233 1
1 416 . 3 1 1 A 35 35 ASP H H 35 8.324 8.333 -0.009 1
1 417 . 3 1 1 A 35 35 ASP HA H 35 4.434 4.463 -0.029 1
1 420 . 3 1 1 A 35 35 ASP C C 35 177.892 178.598 -0.706 1
1 421 . 3 1 1 A 35 35 ASP CA C 35 56.826 57.271 -0.445 1
1 422 . 3 1 1 A 35 35 ASP CB C 35 38.807 40.068 -1.261 1
1 423 . 3 1 1 A 35 35 ASP N N 35 120.937 119.651 1.286 1
1 424 . 3 1 1 A 36 36 ALA H H 36 8.431 8.180 0.251 1
1 425 . 3 1 1 A 36 36 ALA HA H 36 3.598 4.250 -0.652 1
1 429 . 3 1 1 A 36 36 ALA C C 36 178.949 179.552 -0.603 1
1 430 . 3 1 1 A 36 36 ALA CA C 36 55.327 54.839 0.488 1
1 431 . 3 1 1 A 36 36 ALA CB C 36 17.371 18.263 -0.892 1
1 432 . 3 1 1 A 36 36 ALA N N 36 126.210 123.047 3.163 1
1 433 . 3 1 1 A 37 37 ARG H H 37 8.458 8.250 0.208 1
1 434 . 3 1 1 A 37 37 ARG HA H 37 3.857 4.170 -0.313 1
1 442 . 3 1 1 A 37 37 ARG C C 37 177.746 178.534 -0.788 1
1 443 . 3 1 1 A 37 37 ARG CA C 37 60.636 59.602 1.034 1
1 444 . 3 1 1 A 37 37 ARG CB C 37 29.931 29.838 0.093 1
1 447 . 3 1 1 A 37 37 ARG N N 37 116.717 120.369 -3.652 1
1 449 . 3 1 1 A 38 38 SER H H 38 8.173 8.212 -0.039 1
1 450 . 3 1 1 A 38 38 SER HA H 38 4.130 4.258 -0.128 1
1 451 . 3 1 1 A 38 38 SER C C 38 178.293 175.958 2.335 1
1 452 . 3 1 1 A 38 38 SER CA C 38 62.627 60.985 1.642 1
1 453 . 3 1 1 A 38 38 SER N N 38 114.110 115.200 -1.090 1
1 454 . 3 1 1 A 39 39 TYR H H 39 8.343 7.435 0.908 1
1 455 . 3 1 1 A 39 39 TYR HA H 39 4.213 4.501 -0.288 1
1 462 . 3 1 1 A 39 39 TYR C C 39 178.701 178.540 0.161 1
1 463 . 3 1 1 A 39 39 TYR CA C 39 62.466 60.359 2.107 1
1 464 . 3 1 1 A 39 39 TYR CB C 39 38.687 39.365 -0.678 1
1 469 . 3 1 1 A 39 39 TYR N N 39 123.318 119.354 3.964 1
1 470 . 3 1 1 A 40 40 TRP H H 40 8.818 8.330 0.488 1
1 471 . 3 1 1 A 40 40 TRP HA H 40 4.586 4.525 0.061 1
1 480 . 3 1 1 A 40 40 TRP C C 40 179.359 178.063 1.296 1
1 481 . 3 1 1 A 40 40 TRP CA C 40 61.953 60.463 1.490 1
1 482 . 3 1 1 A 40 40 TRP CB C 40 31.349 29.929 1.420 1
1 488 . 3 1 1 A 40 40 TRP N N 40 123.286 121.581 1.705 1
1 490 . 3 1 1 A 41 41 LEU H H 41 9.368 8.378 0.990 1
1 491 . 3 1 1 A 41 41 LEU HA H 41 4.405 4.215 0.190 1
1 501 . 3 1 1 A 41 41 LEU C C 41 179.498 178.848 0.650 1
1 502 . 3 1 1 A 41 41 LEU CA C 41 58.206 57.455 0.751 1
1 503 . 3 1 1 A 41 41 LEU CB C 41 41.754 41.886 -0.132 1
1 507 . 3 1 1 A 41 41 LEU N N 41 119.265 121.077 -1.812 1
1 508 . 3 1 1 A 42 42 GLY H H 42 8.283 7.813 0.470 1
1 509 . 3 1 1 A 42 42 GLY HA2 H 42 3.857 3.755 0.102 1
1 510 . 3 1 1 A 42 42 GLY HA3 H 42 3.929 3.783 0.146 1
1 511 . 3 1 1 A 42 42 GLY C C 42 176.508 176.677 -0.169 1
1 512 . 3 1 1 A 42 42 GLY CA C 42 47.412 47.541 -0.129 1
1 513 . 3 1 1 A 42 42 GLY N N 42 108.413 107.248 1.165 1
1 514 . 3 1 1 A 43 43 GLY H H 43 8.181 8.096 0.085 1
1 515 . 3 1 1 A 43 43 GLY HA2 H 43 4.124 3.795 0.329 1
1 516 . 3 1 1 A 43 43 GLY HA3 H 43 4.258 3.817 0.441 1
1 517 . 3 1 1 A 43 43 GLY C C 43 174.891 175.634 -0.743 1
1 518 . 3 1 1 A 43 43 GLY CA C 43 47.341 47.009 0.332 1
1 519 . 3 1 1 A 43 43 GLY N N 43 109.904 108.992 0.912 1
1 520 . 3 1 1 A 44 44 TRP H H 44 8.460 8.079 0.381 1
1 521 . 3 1 1 A 44 44 TRP HA H 44 3.578 4.240 -0.662 1
1 530 . 3 1 1 A 44 44 TRP C C 44 178.547 177.664 0.883 1
1 531 . 3 1 1 A 44 44 TRP CA C 44 62.646 59.831 2.815 1
1 532 . 3 1 1 A 44 44 TRP CB C 44 29.467 29.072 0.395 1
1 538 . 3 1 1 A 44 44 TRP N N 44 124.152 124.118 0.034 1
1 540 . 3 1 1 A 45 45 ARG H H 45 8.759 8.707 0.052 1
1 541 . 3 1 1 A 45 45 ARG HA H 45 3.669 3.705 -0.036 1
1 549 . 3 1 1 A 45 45 ARG C C 45 178.784 178.140 0.644 1
1 550 . 3 1 1 A 45 45 ARG CA C 45 59.785 59.678 0.107 1
1 551 . 3 1 1 A 45 45 ARG CB C 45 30.295 29.784 0.511 1
1 554 . 3 1 1 A 45 45 ARG N N 45 118.655 119.044 -0.389 1
1 556 . 3 1 1 A 46 46 ASP H H 46 8.084 8.113 -0.029 1
1 557 . 3 1 1 A 46 46 ASP HA H 46 4.362 4.238 0.124 1
1 560 . 3 1 1 A 46 46 ASP C C 46 178.818 178.125 0.693 1
1 561 . 3 1 1 A 46 46 ASP CA C 46 57.518 57.528 -0.010 1
1 562 . 3 1 1 A 46 46 ASP CB C 46 39.752 41.799 -2.047 1
1 563 . 3 1 1 A 46 46 ASP N N 46 120.646 119.738 0.908 1
1 564 . 3 1 1 A 47 47 ALA H H 47 7.873 7.687 0.186 1
1 565 . 3 1 1 A 47 47 ALA HA H 47 3.627 3.797 -0.170 1
1 569 . 3 1 1 A 47 47 ALA C C 47 179.397 178.693 0.704 1
1 570 . 3 1 1 A 47 47 ALA CA C 47 54.962 54.913 0.049 1
1 571 . 3 1 1 A 47 47 ALA CB C 47 18.940 17.622 1.318 1
1 572 . 3 1 1 A 47 47 ALA N N 47 122.126 120.835 1.291 1
1 573 . 3 1 1 A 48 48 ARG H H 48 7.587 7.915 -0.328 1
1 574 . 3 1 1 A 48 48 ARG HA H 48 3.538 3.630 -0.092 1
1 582 . 3 1 1 A 48 48 ARG C C 48 178.647 177.787 0.860 1
1 583 . 3 1 1 A 48 48 ARG CA C 48 57.880 59.193 -1.313 1
1 584 . 3 1 1 A 48 48 ARG CB C 48 28.753 29.330 -0.577 1
1 587 . 3 1 1 A 48 48 ARG N N 48 117.721 117.873 -0.152 1
1 589 . 3 1 1 A 49 49 ASP H H 49 8.249 7.702 0.547 1
1 590 . 3 1 1 A 49 49 ASP HA H 49 4.383 4.361 0.022 1
1 593 . 3 1 1 A 49 49 ASP C C 49 178.360 178.070 0.290 1
1 594 . 3 1 1 A 49 49 ASP CA C 49 56.330 56.048 0.282 1
1 595 . 3 1 1 A 49 49 ASP CB C 49 40.401 40.775 -0.374 1
1 596 . 3 1 1 A 49 49 ASP N N 49 119.997 119.153 0.844 1
1 597 . 3 1 1 A 50 50 GLU H H 50 8.060 7.579 0.481 1
1 598 . 3 1 1 A 50 50 GLU HA H 50 4.007 4.054 -0.047 1
1 603 . 3 1 1 A 50 50 GLU C C 50 178.675 178.430 0.245 1
1 604 . 3 1 1 A 50 50 GLU CA C 50 58.740 58.789 -0.049 1
1 605 . 3 1 1 A 50 50 GLU CB C 50 29.585 29.594 -0.009 1
1 607 . 3 1 1 A 50 50 GLU N N 50 121.823 119.062 2.761 1
1 608 . 3 1 1 A 51 51 LYS H H 51 8.089 7.837 0.252 1
1 609 . 3 1 1 A 51 51 LYS HA H 51 4.057 4.055 0.002 1
1 618 . 3 1 1 A 51 51 LYS C C 51 178.241 178.608 -0.367 1
1 619 . 3 1 1 A 51 51 LYS CA C 51 57.727 58.807 -1.080 1
1 620 . 3 1 1 A 51 51 LYS CB C 51 32.090 32.026 0.064 1
1 624 . 3 1 1 A 51 51 LYS N N 51 119.415 119.727 -0.312 1
1 625 . 3 1 1 A 52 52 GLN H H 52 8.043 7.572 0.471 1
1 626 . 3 1 1 A 52 52 GLN HA H 52 4.189 4.076 0.113 1
1 633 . 3 1 1 A 52 52 GLN C C 52 176.965 178.567 -1.602 1
1 634 . 3 1 1 A 52 52 GLN CA C 52 56.977 58.276 -1.299 1
1 635 . 3 1 1 A 52 52 GLN CB C 52 28.858 28.952 -0.094 1
1 637 . 3 1 1 A 52 52 GLN N N 52 118.262 119.304 -1.042 1
1 639 . 3 1 1 A 53 53 SER H H 53 8.088 8.707 -0.619 1
1 640 . 3 1 1 A 53 53 SER HA H 53 4.339 4.289 0.050 1
1 643 . 3 1 1 A 53 53 SER C C 53 175.679 177.047 -1.368 1
1 644 . 3 1 1 A 53 53 SER CA C 53 59.492 61.695 -2.203 1
1 645 . 3 1 1 A 53 53 SER CB C 53 63.849 62.929 0.920 1
1 646 . 3 1 1 A 53 53 SER N N 53 114.966 116.024 -1.058 1
1 647 . 3 1 1 A 54 54 GLY H H 54 8.228 8.237 -0.009 1
1 648 . 3 1 1 A 54 54 GLY HA2 H 54 3.939 3.816 0.123 1
1 649 . 3 1 1 A 54 54 GLY HA3 H 54 3.867 3.826 0.041 1
1 650 . 3 1 1 A 54 54 GLY C C 54 174.591 174.842 -0.251 1
1 651 . 3 1 1 A 54 54 GLY CA C 54 45.776 47.536 -1.760 1
1 652 . 3 1 1 A 54 54 GLY N N 54 110.315 109.572 0.743 1
1 653 . 3 1 1 A 55 55 LEU H H 55 7.846 7.913 -0.067 1
1 654 . 3 1 1 A 55 55 LEU HA H 55 4.174 4.653 -0.479 1
1 664 . 3 1 1 A 55 55 LEU C C 55 177.315 176.097 1.218 1
1 665 . 3 1 1 A 55 55 LEU CA C 55 55.716 54.262 1.454 1
1 666 . 3 1 1 A 55 55 LEU CB C 55 42.103 42.251 -0.148 1
1 670 . 3 1 1 A 55 55 LEU N N 55 121.456 119.452 2.004 1
1 671 . 3 1 1 A 56 56 TYR H H 56 7.960 7.435 0.525 1
1 672 . 3 1 1 A 56 56 TYR HA H 56 4.450 4.570 -0.120 1
1 679 . 3 1 1 A 56 56 TYR C C 56 176.206 175.119 1.087 1
1 680 . 3 1 1 A 56 56 TYR CA C 56 58.242 56.337 1.905 1
1 681 . 3 1 1 A 56 56 TYR CB C 56 38.478 36.862 1.616 1
1 686 . 3 1 1 A 56 56 TYR N N 56 119.665 123.513 -3.848 1
1 687 . 3 1 1 A 57 57 LYS H H 57 8.015 8.764 -0.749 1
1 688 . 3 1 1 A 57 57 LYS HA H 57 4.154 4.426 -0.272 1
1 697 . 3 1 1 A 57 57 LYS C C 57 176.553 175.942 0.611 1
1 698 . 3 1 1 A 57 57 LYS CA C 57 56.656 55.824 0.832 1
1 699 . 3 1 1 A 57 57 LYS CB C 57 32.870 32.660 0.210 1
1 703 . 3 1 1 A 57 57 LYS N N 57 122.012 127.709 -5.697 1
1 704 . 3 1 1 A 58 58 LEU H H 58 8.035 7.107 0.928 1
1 705 . 3 1 1 A 58 58 LEU HA H 58 4.185 4.272 -0.087 1
1 715 . 3 1 1 A 58 58 LEU C C 58 177.527 176.425 1.102 1
1 716 . 3 1 1 A 58 58 LEU CA C 58 55.574 53.744 1.830 1
1 717 . 3 1 1 A 58 58 LEU CB C 58 42.175 42.951 -0.776 1
1 721 . 3 1 1 A 58 58 LEU N N 58 122.265 119.136 3.129 1
1 722 . 3 1 1 A 59 59 GLU H H 59 8.253 8.947 -0.694 1
1 723 . 3 1 1 A 59 59 GLU HA H 59 4.123 3.970 0.153 1
1 728 . 3 1 1 A 59 59 GLU C C 59 176.231 175.415 0.816 1
1 729 . 3 1 1 A 59 59 GLU CA C 59 56.658 57.681 -1.023 1
1 730 . 3 1 1 A 59 59 GLU CB C 59 30.246 29.203 1.043 1
1 732 . 3 1 1 A 59 59 GLU N N 59 120.313 119.260 1.053 1
1 7 . 4 1 1 A 2 2 LYS H H 2 8.138 8.578 -0.440 1
1 8 . 4 1 1 A 2 2 LYS HA H 2 4.325 4.620 -0.295 1
1 17 . 4 1 1 A 2 2 LYS C C 2 176.460 175.385 1.075 1
1 18 . 4 1 1 A 2 2 LYS CA C 2 56.632 56.182 0.450 1
1 19 . 4 1 1 A 2 2 LYS CB C 2 33.087 32.865 0.222 1
1 23 . 4 1 1 A 2 2 LYS N N 2 125.275 128.143 -2.868 1
1 24 . 4 1 1 A 3 3 ARG H H 3 8.624 8.728 -0.104 1
1 25 . 4 1 1 A 3 3 ARG HA H 3 4.220 4.496 -0.276 1
1 32 . 4 1 1 A 3 3 ARG C C 3 176.426 176.839 -0.413 1
1 33 . 4 1 1 A 3 3 ARG CA C 3 56.705 54.968 1.737 1
1 34 . 4 1 1 A 3 3 ARG CB C 3 30.577 28.253 2.324 1
1 37 . 4 1 1 A 3 3 ARG N N 3 123.963 127.284 -3.321 1
1 38 . 4 1 1 A 4 4 GLN H H 4 8.613 8.450 0.163 1
1 39 . 4 1 1 A 4 4 GLN HA H 4 4.221 4.815 -0.594 1
1 46 . 4 1 1 A 4 4 GLN C C 4 176.604 177.201 -0.597 1
1 47 . 4 1 1 A 4 4 GLN CA C 4 56.626 56.993 -0.367 1
1 48 . 4 1 1 A 4 4 GLN CB C 4 29.536 27.426 2.110 1
1 50 . 4 1 1 A 4 4 GLN N N 4 121.223 121.229 -0.006 1
1 52 . 4 1 1 A 5 5 LYS H H 5 8.180 7.914 0.266 1
1 53 . 4 1 1 A 5 5 LYS HA H 5 4.161 4.042 0.119 1
1 62 . 4 1 1 A 5 5 LYS C C 5 176.971 178.793 -1.822 1
1 63 . 4 1 1 A 5 5 LYS CA C 5 57.367 59.955 -2.588 1
1 64 . 4 1 1 A 5 5 LYS CB C 5 32.873 32.235 0.638 1
1 68 . 4 1 1 A 5 5 LYS N N 5 122.464 119.914 2.550 1
1 69 . 4 1 1 A 6 6 ARG H H 6 8.345 7.322 1.023 1
1 70 . 4 1 1 A 6 6 ARG HA H 6 4.119 3.781 0.338 1
1 77 . 4 1 1 A 6 6 ARG C C 6 176.908 178.491 -1.583 1
1 78 . 4 1 1 A 6 6 ARG CA C 6 57.246 59.145 -1.899 1
1 79 . 4 1 1 A 6 6 ARG CB C 6 30.166 29.848 0.318 1
1 82 . 4 1 1 A 6 6 ARG N N 6 121.458 120.240 1.218 1
1 83 . 4 1 1 A 7 7 ASP H H 7 8.422 8.242 0.180 1
1 84 . 4 1 1 A 7 7 ASP HA H 7 4.414 4.314 0.100 1
1 87 . 4 1 1 A 7 7 ASP C C 7 177.562 178.521 -0.959 1
1 88 . 4 1 1 A 7 7 ASP CA C 7 55.809 57.499 -1.690 1
1 89 . 4 1 1 A 7 7 ASP CB C 7 41.064 40.474 0.590 1
1 90 . 4 1 1 A 7 7 ASP N N 7 120.954 119.891 1.063 1
1 91 . 4 1 1 A 8 8 ARG H H 8 8.061 7.847 0.214 1
1 92 . 4 1 1 A 8 8 ARG HA H 8 3.971 4.179 -0.208 1
1 99 . 4 1 1 A 8 8 ARG C C 8 178.412 178.182 0.230 1
1 100 . 4 1 1 A 8 8 ARG CA C 8 59.160 58.441 0.719 1
1 101 . 4 1 1 A 8 8 ARG CB C 8 30.192 29.520 0.672 1
1 104 . 4 1 1 A 8 8 ARG N N 8 119.853 118.122 1.731 1
1 105 . 4 1 1 A 9 9 LEU H H 9 7.801 7.933 -0.132 1
1 106 . 4 1 1 A 9 9 LEU HA H 9 3.727 3.929 -0.202 1
1 116 . 4 1 1 A 9 9 LEU C C 9 178.182 179.285 -1.103 1
1 117 . 4 1 1 A 9 9 LEU CA C 9 57.192 57.245 -0.053 1
1 118 . 4 1 1 A 9 9 LEU CB C 9 38.370 40.915 -2.545 1
1 122 . 4 1 1 A 9 9 LEU N N 9 121.052 120.884 0.168 1
1 123 . 4 1 1 A 10 10 GLU H H 10 8.172 8.341 -0.169 1
1 124 . 4 1 1 A 10 10 GLU HA H 10 4.014 4.100 -0.086 1
1 129 . 4 1 1 A 10 10 GLU C C 10 180.022 179.263 0.759 1
1 130 . 4 1 1 A 10 10 GLU CA C 10 59.504 58.996 0.508 1
1 131 . 4 1 1 A 10 10 GLU CB C 10 29.451 29.080 0.371 1
1 133 . 4 1 1 A 10 10 GLU N N 10 120.463 118.148 2.315 1
1 134 . 4 1 1 A 11 11 ARG H H 11 8.202 7.535 0.667 1
1 135 . 4 1 1 A 11 11 ARG HA H 11 4.117 4.009 0.108 1
1 142 . 4 1 1 A 11 11 ARG C C 11 178.321 178.927 -0.606 1
1 143 . 4 1 1 A 11 11 ARG CA C 11 59.328 58.932 0.396 1
1 144 . 4 1 1 A 11 11 ARG CB C 11 29.798 30.145 -0.347 1
1 147 . 4 1 1 A 11 11 ARG N N 11 119.987 120.564 -0.577 1
1 148 . 4 1 1 A 12 12 ALA H H 12 7.661 7.867 -0.206 1
1 149 . 4 1 1 A 12 12 ALA HA H 12 4.603 3.577 1.026 1
1 153 . 4 1 1 A 12 12 ALA C C 12 179.757 179.156 0.601 1
1 154 . 4 1 1 A 12 12 ALA CA C 12 55.536 54.850 0.686 1
1 155 . 4 1 1 A 12 12 ALA CB C 12 18.423 18.185 0.238 1
1 156 . 4 1 1 A 12 12 ALA N N 12 122.208 121.601 0.607 1
1 157 . 4 1 1 A 13 13 GLN H H 13 8.205 8.353 -0.148 1
1 158 . 4 1 1 A 13 13 GLN HA H 13 4.332 4.139 0.193 1
1 165 . 4 1 1 A 13 13 GLN C C 13 178.128 178.344 -0.216 1
1 166 . 4 1 1 A 13 13 GLN CA C 13 59.565 58.486 1.079 1
1 167 . 4 1 1 A 13 13 GLN CB C 13 29.572 28.877 0.695 1
1 169 . 4 1 1 A 13 13 GLN N N 13 118.449 118.599 -0.150 1
1 171 . 4 1 1 A 14 14 SER H H 14 8.245 7.593 0.652 1
1 172 . 4 1 1 A 14 14 SER HA H 14 4.281 4.264 0.017 1
1 175 . 4 1 1 A 14 14 SER C C 14 177.751 177.348 0.403 1
1 176 . 4 1 1 A 14 14 SER CA C 14 61.583 61.385 0.198 1
1 177 . 4 1 1 A 14 14 SER CB C 14 62.897 62.711 0.186 1
1 178 . 4 1 1 A 14 14 SER N N 14 115.275 114.006 1.269 1
1 179 . 4 1 1 A 15 15 GLN H H 15 8.686 8.603 0.083 1
1 180 . 4 1 1 A 15 15 GLN HA H 15 4.124 4.097 0.027 1
1 187 . 4 1 1 A 15 15 GLN C C 15 179.621 178.419 1.202 1
1 188 . 4 1 1 A 15 15 GLN CA C 15 58.803 59.525 -0.722 1
1 189 . 4 1 1 A 15 15 GLN CB C 15 28.201 28.247 -0.046 1
1 191 . 4 1 1 A 15 15 GLN N N 15 121.722 120.789 0.933 1
1 193 . 4 1 1 A 16 16 GLY H H 16 8.439 8.612 -0.173 1
1 194 . 4 1 1 A 16 16 GLY HA2 H 16 1.849 2.534 -0.685 1
1 195 . 4 1 1 A 16 16 GLY HA3 H 16 3.742 3.067 0.675 1
1 196 . 4 1 1 A 16 16 GLY C C 16 175.080 175.163 -0.083 1
1 197 . 4 1 1 A 16 16 GLY CA C 16 45.784 46.696 -0.912 1
1 198 . 4 1 1 A 16 16 GLY N N 16 113.363 106.601 6.762 1
1 199 . 4 1 1 A 17 17 TYR H H 17 8.167 7.556 0.611 1
1 200 . 4 1 1 A 17 17 TYR HA H 17 4.014 3.932 0.082 1
1 207 . 4 1 1 A 17 17 TYR C C 17 177.200 177.866 -0.666 1
1 208 . 4 1 1 A 17 17 TYR CA C 17 60.567 60.954 -0.387 1
1 209 . 4 1 1 A 17 17 TYR CB C 17 38.755 38.328 0.427 1
1 214 . 4 1 1 A 17 17 TYR N N 17 123.123 123.432 -0.309 1
1 215 . 4 1 1 A 18 18 LYS H H 18 8.003 7.916 0.087 1
1 216 . 4 1 1 A 18 18 LYS HA H 18 3.681 4.005 -0.324 1
1 225 . 4 1 1 A 18 18 LYS C C 18 178.838 178.249 0.589 1
1 226 . 4 1 1 A 18 18 LYS CA C 18 59.677 58.791 0.886 1
1 227 . 4 1 1 A 18 18 LYS CB C 18 32.393 31.755 0.638 1
1 231 . 4 1 1 A 18 18 LYS N N 18 117.920 119.249 -1.329 1
1 232 . 4 1 1 A 19 19 ALA H H 19 8.067 8.105 -0.038 1
1 233 . 4 1 1 A 19 19 ALA HA H 19 4.194 4.257 -0.063 1
1 237 . 4 1 1 A 19 19 ALA C C 19 180.263 180.015 0.248 1
1 238 . 4 1 1 A 19 19 ALA CA C 19 55.349 54.489 0.860 1
1 239 . 4 1 1 A 19 19 ALA CB C 19 19.039 18.854 0.185 1
1 240 . 4 1 1 A 19 19 ALA N N 19 120.778 122.132 -1.354 1
1 241 . 4 1 1 A 20 20 GLY H H 20 8.527 8.154 0.373 1
1 242 . 4 1 1 A 20 20 GLY HA2 H 20 3.101 3.386 -0.285 1
1 243 . 4 1 1 A 20 20 GLY HA3 H 20 3.303 3.414 -0.111 1
1 244 . 4 1 1 A 20 20 GLY C C 20 177.818 175.202 2.616 1
1 245 . 4 1 1 A 20 20 GLY CA C 20 47.102 46.422 0.680 1
1 246 . 4 1 1 A 20 20 GLY N N 20 107.003 106.179 0.824 1
1 247 . 4 1 1 A 21 21 LEU H H 21 8.310 7.607 0.703 1
1 248 . 4 1 1 A 21 21 LEU HA H 21 3.696 4.155 -0.459 1
1 258 . 4 1 1 A 21 21 LEU C C 21 178.603 178.183 0.420 1
1 259 . 4 1 1 A 21 21 LEU CA C 21 57.417 56.868 0.549 1
1 260 . 4 1 1 A 21 21 LEU CB C 21 41.798 43.275 -1.477 1
1 264 . 4 1 1 A 21 21 LEU N N 21 124.762 121.643 3.119 1
1 265 . 4 1 1 A 22 22 ASN H H 22 7.628 8.758 -1.130 1
1 266 . 4 1 1 A 22 22 ASN HA H 22 4.701 4.657 0.044 1
1 271 . 4 1 1 A 22 22 ASN C C 22 175.456 178.198 -2.742 1
1 272 . 4 1 1 A 22 22 ASN CA C 22 53.292 55.496 -2.204 1
1 273 . 4 1 1 A 22 22 ASN CB C 22 39.188 38.556 0.632 1
1 274 . 4 1 1 A 22 22 ASN N N 22 114.867 114.893 -0.026 1
1 276 . 4 1 1 A 23 23 GLY H H 23 7.586 8.174 -0.588 1
1 277 . 4 1 1 A 23 23 GLY HA2 H 23 3.810 3.942 -0.132 1
1 278 . 4 1 1 A 23 23 GLY HA3 H 23 4.102 4.030 0.072 1
1 279 . 4 1 1 A 23 23 GLY C C 23 175.226 174.815 0.411 1
1 280 . 4 1 1 A 23 23 GLY CA C 23 46.302 46.066 0.236 1
1 281 . 4 1 1 A 23 23 GLY N N 23 106.650 109.264 -2.614 1
1 282 . 4 1 1 A 24 24 ARG H H 24 8.156 7.700 0.456 1
1 283 . 4 1 1 A 24 24 ARG HA H 24 4.508 3.965 0.543 1
1 290 . 4 1 1 A 24 24 ARG C C 24 177.405 175.358 2.047 1
1 291 . 4 1 1 A 24 24 ARG CA C 24 55.103 59.075 -3.972 1
1 292 . 4 1 1 A 24 24 ARG CB C 24 30.537 28.659 1.878 1
1 295 . 4 1 1 A 24 24 ARG N N 24 118.161 116.125 2.036 1
1 296 . 4 1 1 A 25 25 SER H H 25 9.015 8.763 0.252 1
1 297 . 4 1 1 A 25 25 SER HA H 25 4.804 4.975 -0.171 1
1 300 . 4 1 1 A 25 25 SER C C 25 175.005 174.592 0.413 1
1 301 . 4 1 1 A 25 25 SER CA C 25 57.752 57.545 0.207 1
1 302 . 4 1 1 A 25 25 SER CB C 25 64.687 65.236 -0.549 1
1 303 . 4 1 1 A 25 25 SER N N 25 119.720 113.870 5.850 1
1 304 . 4 1 1 A 26 26 GLN H H 26 8.662 8.635 0.027 1
1 305 . 4 1 1 A 26 26 GLN HA H 26 3.162 4.225 -1.063 1
1 312 . 4 1 1 A 26 26 GLN C C 26 177.736 177.390 0.346 1
1 313 . 4 1 1 A 26 26 GLN CA C 26 58.643 57.642 1.001 1
1 314 . 4 1 1 A 26 26 GLN CB C 26 27.352 28.140 -0.788 1
1 316 . 4 1 1 A 26 26 GLN N N 26 120.247 123.222 -2.975 1
1 318 . 4 1 1 A 27 27 GLU H H 27 8.244 8.018 0.226 1
1 319 . 4 1 1 A 27 27 GLU HA H 27 3.886 4.058 -0.172 1
1 324 . 4 1 1 A 27 27 GLU C C 27 176.177 177.595 -1.418 1
1 325 . 4 1 1 A 27 27 GLU CA C 27 57.807 58.428 -0.621 1
1 326 . 4 1 1 A 27 27 GLU CB C 27 28.583 29.614 -1.031 1
1 328 . 4 1 1 A 27 27 GLU N N 27 117.869 120.812 -2.943 1
1 329 . 4 1 1 A 28 28 ALA H H 28 7.451 7.469 -0.018 1
1 330 . 4 1 1 A 28 28 ALA HA H 28 4.070 4.384 -0.314 1
1 334 . 4 1 1 A 28 28 ALA C C 28 176.063 176.852 -0.789 1
1 335 . 4 1 1 A 28 28 ALA CA C 28 51.945 52.394 -0.449 1
1 336 . 4 1 1 A 28 28 ALA CB C 28 18.113 18.969 -0.856 1
1 337 . 4 1 1 A 28 28 ALA N N 28 120.356 120.249 0.107 1
1 338 . 4 1 1 A 29 29 CYS H H 29 6.591 6.833 -0.242 1
1 339 . 4 1 1 A 29 29 CYS HA H 29 1.828 3.981 -2.153 1
1 342 . 4 1 1 A 29 29 CYS CA C 29 56.231 55.122 1.109 1
1 343 . 4 1 1 A 29 29 CYS CB C 29 27.778 27.652 0.126 1
1 344 . 4 1 1 A 29 29 CYS N N 29 121.588 119.176 2.412 1
1 345 . 4 1 1 A 30 30 PRO HA H 30 4.323 4.326 -0.003 1
1 352 . 4 1 1 A 30 30 PRO C C 30 175.515 176.671 -1.156 1
1 353 . 4 1 1 A 30 30 PRO CA C 30 63.382 63.483 -0.101 1
1 354 . 4 1 1 A 30 30 PRO CB C 30 31.551 32.688 -1.137 1
1 357 . 4 1 1 A 31 31 TYR H H 31 6.804 8.236 -1.432 1
1 358 . 4 1 1 A 31 31 TYR HA H 31 4.582 4.271 0.311 1
1 365 . 4 1 1 A 31 31 TYR C C 31 174.785 175.978 -1.193 1
1 366 . 4 1 1 A 31 31 TYR CA C 31 58.348 60.680 -2.332 1
1 367 . 4 1 1 A 31 31 TYR CB C 31 41.030 38.833 2.197 1
1 372 . 4 1 1 A 31 31 TYR N N 31 118.903 119.001 -0.098 1
1 373 . 4 1 1 A 32 32 GLN H H 32 8.763 7.479 1.284 1
1 374 . 4 1 1 A 32 32 GLN HA H 32 4.344 4.622 -0.278 1
1 381 . 4 1 1 A 32 32 GLN C C 32 176.528 174.539 1.989 1
1 382 . 4 1 1 A 32 32 GLN CA C 32 55.996 55.135 0.861 1
1 383 . 4 1 1 A 32 32 GLN CB C 32 30.182 31.834 -1.652 1
1 385 . 4 1 1 A 32 32 GLN N N 32 120.327 115.121 5.206 1
1 387 . 4 1 1 A 33 33 GLN H H 33 8.230 8.772 -0.542 1
1 388 . 4 1 1 A 33 33 GLN HA H 33 4.262 4.407 -0.145 1
1 395 . 4 1 1 A 33 33 GLN C C 33 177.216 177.868 -0.652 1
1 396 . 4 1 1 A 33 33 GLN CA C 33 56.931 57.589 -0.658 1
1 397 . 4 1 1 A 33 33 GLN CB C 33 28.699 29.519 -0.820 1
1 399 . 4 1 1 A 33 33 GLN N N 33 121.712 120.976 0.736 1
1 401 . 4 1 1 A 34 34 VAL H H 34 8.484 8.062 0.422 1
1 402 . 4 1 1 A 34 34 VAL HA H 34 3.551 3.539 0.012 1
1 410 . 4 1 1 A 34 34 VAL C C 34 177.685 177.510 0.175 1
1 411 . 4 1 1 A 34 34 VAL CA C 34 66.570 66.775 -0.205 1
1 412 . 4 1 1 A 34 34 VAL CB C 34 31.946 31.635 0.311 1
1 415 . 4 1 1 A 34 34 VAL N N 34 122.145 120.077 2.068 1
1 416 . 4 1 1 A 35 35 ASP H H 35 8.324 8.117 0.207 1
1 417 . 4 1 1 A 35 35 ASP HA H 35 4.434 4.467 -0.033 1
1 420 . 4 1 1 A 35 35 ASP C C 35 177.892 178.625 -0.733 1
1 421 . 4 1 1 A 35 35 ASP CA C 35 56.826 57.212 -0.386 1
1 422 . 4 1 1 A 35 35 ASP CB C 35 38.807 40.267 -1.460 1
1 423 . 4 1 1 A 35 35 ASP N N 35 120.937 119.179 1.758 1
1 424 . 4 1 1 A 36 36 ALA H H 36 8.431 8.210 0.221 1
1 425 . 4 1 1 A 36 36 ALA HA H 36 3.598 4.220 -0.622 1
1 429 . 4 1 1 A 36 36 ALA C C 36 178.949 179.717 -0.768 1
1 430 . 4 1 1 A 36 36 ALA CA C 36 55.327 54.912 0.415 1
1 431 . 4 1 1 A 36 36 ALA CB C 36 17.371 18.260 -0.889 1
1 432 . 4 1 1 A 36 36 ALA N N 36 126.210 122.666 3.544 1
1 433 . 4 1 1 A 37 37 ARG H H 37 8.458 8.004 0.454 1
1 434 . 4 1 1 A 37 37 ARG HA H 37 3.857 4.197 -0.340 1
1 442 . 4 1 1 A 37 37 ARG C C 37 177.746 179.116 -1.370 1
1 443 . 4 1 1 A 37 37 ARG CA C 37 60.636 59.971 0.665 1
1 444 . 4 1 1 A 37 37 ARG CB C 37 29.931 30.046 -0.115 1
1 447 . 4 1 1 A 37 37 ARG N N 37 116.717 118.890 -2.173 1
1 449 . 4 1 1 A 38 38 SER H H 38 8.173 7.974 0.199 1
1 450 . 4 1 1 A 38 38 SER HA H 38 4.130 4.172 -0.042 1
1 451 . 4 1 1 A 38 38 SER C C 38 178.293 175.451 2.842 1
1 452 . 4 1 1 A 38 38 SER CA C 38 62.627 62.366 0.261 1
1 453 . 4 1 1 A 38 38 SER N N 38 114.110 117.414 -3.304 1
1 454 . 4 1 1 A 39 39 TYR H H 39 8.343 7.454 0.889 1
1 455 . 4 1 1 A 39 39 TYR HA H 39 4.213 4.492 -0.279 1
1 462 . 4 1 1 A 39 39 TYR C C 39 178.701 178.638 0.063 1
1 463 . 4 1 1 A 39 39 TYR CA C 39 62.466 60.345 2.121 1
1 464 . 4 1 1 A 39 39 TYR CB C 39 38.687 39.293 -0.606 1
1 469 . 4 1 1 A 39 39 TYR N N 39 123.318 118.730 4.588 1
1 470 . 4 1 1 A 40 40 TRP H H 40 8.818 8.435 0.383 1
1 471 . 4 1 1 A 40 40 TRP HA H 40 4.586 4.629 -0.043 1
1 480 . 4 1 1 A 40 40 TRP C C 40 179.359 178.004 1.355 1
1 481 . 4 1 1 A 40 40 TRP CA C 40 61.953 60.439 1.514 1
1 482 . 4 1 1 A 40 40 TRP CB C 40 31.349 29.802 1.547 1
1 488 . 4 1 1 A 40 40 TRP N N 40 123.286 120.844 2.442 1
1 490 . 4 1 1 A 41 41 LEU H H 41 9.368 8.303 1.065 1
1 491 . 4 1 1 A 41 41 LEU HA H 41 4.405 4.288 0.117 1
1 501 . 4 1 1 A 41 41 LEU C C 41 179.498 178.914 0.584 1
1 502 . 4 1 1 A 41 41 LEU CA C 41 58.206 57.676 0.530 1
1 503 . 4 1 1 A 41 41 LEU CB C 41 41.754 42.320 -0.566 1
1 507 . 4 1 1 A 41 41 LEU N N 41 119.265 121.025 -1.760 1
1 508 . 4 1 1 A 42 42 GLY H H 42 8.283 8.344 -0.061 1
1 509 . 4 1 1 A 42 42 GLY HA2 H 42 3.857 3.817 0.040 1
1 510 . 4 1 1 A 42 42 GLY HA3 H 42 3.929 3.851 0.078 1
1 511 . 4 1 1 A 42 42 GLY C C 42 176.508 176.907 -0.399 1
1 512 . 4 1 1 A 42 42 GLY CA C 42 47.412 47.525 -0.113 1
1 513 . 4 1 1 A 42 42 GLY N N 42 108.413 106.921 1.492 1
1 514 . 4 1 1 A 43 43 GLY H H 43 8.181 8.164 0.017 1
1 515 . 4 1 1 A 43 43 GLY HA2 H 43 4.124 3.791 0.333 1
1 516 . 4 1 1 A 43 43 GLY HA3 H 43 4.258 3.805 0.453 1
1 517 . 4 1 1 A 43 43 GLY C C 43 174.891 175.926 -1.035 1
1 518 . 4 1 1 A 43 43 GLY CA C 43 47.341 47.012 0.329 1
1 519 . 4 1 1 A 43 43 GLY N N 43 109.904 108.843 1.061 1
1 520 . 4 1 1 A 44 44 TRP H H 44 8.460 8.242 0.218 1
1 521 . 4 1 1 A 44 44 TRP HA H 44 3.578 4.154 -0.576 1
1 530 . 4 1 1 A 44 44 TRP C C 44 178.547 178.645 -0.098 1
1 531 . 4 1 1 A 44 44 TRP CA C 44 62.646 59.753 2.893 1
1 532 . 4 1 1 A 44 44 TRP CB C 44 29.467 29.525 -0.058 1
1 538 . 4 1 1 A 44 44 TRP N N 44 124.152 124.235 -0.083 1
1 540 . 4 1 1 A 45 45 ARG H H 45 8.759 8.571 0.188 1
1 541 . 4 1 1 A 45 45 ARG HA H 45 3.669 3.910 -0.241 1
1 549 . 4 1 1 A 45 45 ARG C C 45 178.784 178.520 0.264 1
1 550 . 4 1 1 A 45 45 ARG CA C 45 59.785 59.284 0.501 1
1 551 . 4 1 1 A 45 45 ARG CB C 45 30.295 29.625 0.670 1
1 554 . 4 1 1 A 45 45 ARG N N 45 118.655 118.766 -0.111 1
1 556 . 4 1 1 A 46 46 ASP H H 46 8.084 7.897 0.187 1
1 557 . 4 1 1 A 46 46 ASP HA H 46 4.362 4.342 0.020 1
1 560 . 4 1 1 A 46 46 ASP C C 46 178.818 177.918 0.900 1
1 561 . 4 1 1 A 46 46 ASP CA C 46 57.518 57.598 -0.080 1
1 562 . 4 1 1 A 46 46 ASP CB C 46 39.752 40.947 -1.195 1
1 563 . 4 1 1 A 46 46 ASP N N 46 120.646 119.253 1.393 1
1 564 . 4 1 1 A 47 47 ALA H H 47 7.873 8.497 -0.624 1
1 565 . 4 1 1 A 47 47 ALA HA H 47 3.627 3.802 -0.175 1
1 569 . 4 1 1 A 47 47 ALA C C 47 179.397 179.352 0.045 1
1 570 . 4 1 1 A 47 47 ALA CA C 47 54.962 54.885 0.077 1
1 571 . 4 1 1 A 47 47 ALA CB C 47 18.940 18.023 0.917 1
1 572 . 4 1 1 A 47 47 ALA N N 47 122.126 121.620 0.506 1
1 573 . 4 1 1 A 48 48 ARG H H 48 7.587 8.264 -0.677 1
1 574 . 4 1 1 A 48 48 ARG HA H 48 3.538 3.711 -0.173 1
1 582 . 4 1 1 A 48 48 ARG C C 48 178.647 178.731 -0.084 1
1 583 . 4 1 1 A 48 48 ARG CA C 48 57.880 59.394 -1.514 1
1 584 . 4 1 1 A 48 48 ARG CB C 48 28.753 29.736 -0.983 1
1 587 . 4 1 1 A 48 48 ARG N N 48 117.721 117.584 0.137 1
1 589 . 4 1 1 A 49 49 ASP H H 49 8.249 8.255 -0.006 1
1 590 . 4 1 1 A 49 49 ASP HA H 49 4.383 4.381 0.002 1
1 593 . 4 1 1 A 49 49 ASP C C 49 178.360 178.412 -0.052 1
1 594 . 4 1 1 A 49 49 ASP CA C 49 56.330 56.754 -0.424 1
1 595 . 4 1 1 A 49 49 ASP CB C 49 40.401 41.325 -0.924 1
1 596 . 4 1 1 A 49 49 ASP N N 49 119.997 119.339 0.658 1
1 597 . 4 1 1 A 50 50 GLU H H 50 8.060 7.461 0.599 1
1 598 . 4 1 1 A 50 50 GLU HA H 50 4.007 4.062 -0.055 1
1 603 . 4 1 1 A 50 50 GLU C C 50 178.675 178.233 0.442 1
1 604 . 4 1 1 A 50 50 GLU CA C 50 58.740 58.744 -0.004 1
1 605 . 4 1 1 A 50 50 GLU CB C 50 29.585 29.556 0.029 1
1 607 . 4 1 1 A 50 50 GLU N N 50 121.823 118.767 3.056 1
1 608 . 4 1 1 A 51 51 LYS H H 51 8.089 7.662 0.427 1
1 609 . 4 1 1 A 51 51 LYS HA H 51 4.057 4.184 -0.127 1
1 618 . 4 1 1 A 51 51 LYS C C 51 178.241 178.180 0.061 1
1 619 . 4 1 1 A 51 51 LYS CA C 51 57.727 57.440 0.287 1
1 620 . 4 1 1 A 51 51 LYS CB C 51 32.090 32.259 -0.169 1
1 624 . 4 1 1 A 51 51 LYS N N 51 119.415 118.674 0.741 1
1 625 . 4 1 1 A 52 52 GLN H H 52 8.043 7.920 0.123 1
1 626 . 4 1 1 A 52 52 GLN HA H 52 4.189 4.131 0.058 1
1 633 . 4 1 1 A 52 52 GLN C C 52 176.965 178.579 -1.614 1
1 634 . 4 1 1 A 52 52 GLN CA C 52 56.977 58.203 -1.226 1
1 635 . 4 1 1 A 52 52 GLN CB C 52 28.858 28.426 0.432 1
1 637 . 4 1 1 A 52 52 GLN N N 52 118.262 120.668 -2.406 1
1 639 . 4 1 1 A 53 53 SER H H 53 8.088 7.993 0.095 1
1 640 . 4 1 1 A 53 53 SER HA H 53 4.339 4.235 0.104 1
1 643 . 4 1 1 A 53 53 SER C C 53 175.679 176.764 -1.085 1
1 644 . 4 1 1 A 53 53 SER CA C 53 59.492 62.214 -2.722 1
1 645 . 4 1 1 A 53 53 SER CB C 53 63.849 62.842 1.007 1
1 646 . 4 1 1 A 53 53 SER N N 53 114.966 118.002 -3.036 1
1 647 . 4 1 1 A 54 54 GLY H H 54 8.228 7.958 0.270 1
1 648 . 4 1 1 A 54 54 GLY HA2 H 54 3.939 3.902 0.037 1
1 649 . 4 1 1 A 54 54 GLY HA3 H 54 3.867 3.904 -0.037 1
1 650 . 4 1 1 A 54 54 GLY C C 54 174.591 174.920 -0.329 1
1 651 . 4 1 1 A 54 54 GLY CA C 54 45.776 45.654 0.122 1
1 652 . 4 1 1 A 54 54 GLY N N 54 110.315 109.342 0.973 1
1 653 . 4 1 1 A 55 55 LEU H H 55 7.846 8.014 -0.168 1
1 654 . 4 1 1 A 55 55 LEU HA H 55 4.174 3.924 0.250 1
1 664 . 4 1 1 A 55 55 LEU C C 55 177.315 175.327 1.988 1
1 665 . 4 1 1 A 55 55 LEU CA C 55 55.716 57.810 -2.094 1
1 666 . 4 1 1 A 55 55 LEU CB C 55 42.103 40.278 1.825 1
1 670 . 4 1 1 A 55 55 LEU N N 55 121.456 116.412 5.044 1
1 671 . 4 1 1 A 56 56 TYR H H 56 7.960 8.820 -0.860 1
1 672 . 4 1 1 A 56 56 TYR HA H 56 4.450 4.860 -0.410 1
1 679 . 4 1 1 A 56 56 TYR C C 56 176.206 175.372 0.834 1
1 680 . 4 1 1 A 56 56 TYR CA C 56 58.242 58.836 -0.594 1
1 681 . 4 1 1 A 56 56 TYR CB C 56 38.478 40.257 -1.779 1
1 686 . 4 1 1 A 56 56 TYR N N 56 119.665 117.104 2.561 1
1 687 . 4 1 1 A 57 57 LYS H H 57 8.015 7.934 0.081 1
1 688 . 4 1 1 A 57 57 LYS HA H 57 4.154 4.481 -0.327 1
1 697 . 4 1 1 A 57 57 LYS C C 57 176.553 174.722 1.831 1
1 698 . 4 1 1 A 57 57 LYS CA C 57 56.656 55.797 0.859 1
1 699 . 4 1 1 A 57 57 LYS CB C 57 32.870 32.493 0.377 1
1 703 . 4 1 1 A 57 57 LYS N N 57 122.012 118.916 3.096 1
1 704 . 4 1 1 A 58 58 LEU H H 58 8.035 8.595 -0.560 1
1 705 . 4 1 1 A 58 58 LEU HA H 58 4.185 4.836 -0.651 1
1 715 . 4 1 1 A 58 58 LEU C C 58 177.527 175.815 1.712 1
1 716 . 4 1 1 A 58 58 LEU CA C 58 55.574 53.583 1.991 1
1 717 . 4 1 1 A 58 58 LEU CB C 58 42.175 42.649 -0.474 1
1 721 . 4 1 1 A 58 58 LEU N N 58 122.265 125.870 -3.605 1
1 722 . 4 1 1 A 59 59 GLU H H 59 8.253 8.293 -0.040 1
1 723 . 4 1 1 A 59 59 GLU HA H 59 4.123 4.448 -0.325 1
1 728 . 4 1 1 A 59 59 GLU C C 59 176.231 177.002 -0.771 1
1 729 . 4 1 1 A 59 59 GLU CA C 59 56.658 56.935 -0.277 1
1 730 . 4 1 1 A 59 59 GLU CB C 59 30.246 30.371 -0.125 1
1 732 . 4 1 1 A 59 59 GLU N N 59 120.313 120.969 -0.656 1
1 7 . 5 1 1 A 2 2 LYS H H 2 8.138 8.989 -0.851 1
1 8 . 5 1 1 A 2 2 LYS HA H 2 4.325 3.963 0.362 1
1 17 . 5 1 1 A 2 2 LYS C C 2 176.460 176.423 0.037 1
1 18 . 5 1 1 A 2 2 LYS CA C 2 56.632 57.060 -0.428 1
1 19 . 5 1 1 A 2 2 LYS CB C 2 33.087 30.888 2.199 1
1 23 . 5 1 1 A 2 2 LYS N N 2 125.275 123.073 2.202 1
1 24 . 5 1 1 A 3 3 ARG H H 3 8.624 8.260 0.364 1
1 25 . 5 1 1 A 3 3 ARG HA H 3 4.220 4.453 -0.233 1
1 32 . 5 1 1 A 3 3 ARG C C 3 176.426 175.727 0.699 1
1 33 . 5 1 1 A 3 3 ARG CA C 3 56.705 55.220 1.485 1
1 34 . 5 1 1 A 3 3 ARG CB C 3 30.577 29.985 0.592 1
1 37 . 5 1 1 A 3 3 ARG N N 3 123.963 117.858 6.105 1
1 38 . 5 1 1 A 4 4 GLN H H 4 8.613 7.425 1.188 1
1 39 . 5 1 1 A 4 4 GLN HA H 4 4.221 4.659 -0.438 1
1 46 . 5 1 1 A 4 4 GLN C C 4 176.604 175.367 1.237 1
1 47 . 5 1 1 A 4 4 GLN CA C 4 56.626 54.238 2.388 1
1 48 . 5 1 1 A 4 4 GLN CB C 4 29.536 27.410 2.126 1
1 50 . 5 1 1 A 4 4 GLN N N 4 121.223 120.029 1.194 1
1 52 . 5 1 1 A 5 5 LYS H H 5 8.180 7.889 0.291 1
1 53 . 5 1 1 A 5 5 LYS HA H 5 4.161 4.357 -0.196 1
1 62 . 5 1 1 A 5 5 LYS C C 5 176.971 178.620 -1.649 1
1 63 . 5 1 1 A 5 5 LYS CA C 5 57.367 57.363 0.004 1
1 64 . 5 1 1 A 5 5 LYS CB C 5 32.873 33.395 -0.522 1
1 68 . 5 1 1 A 5 5 LYS N N 5 122.464 124.586 -2.122 1
1 69 . 5 1 1 A 6 6 ARG H H 6 8.345 8.011 0.334 1
1 70 . 5 1 1 A 6 6 ARG HA H 6 4.119 3.929 0.190 1
1 77 . 5 1 1 A 6 6 ARG C C 6 176.908 178.129 -1.221 1
1 78 . 5 1 1 A 6 6 ARG CA C 6 57.246 58.767 -1.521 1
1 79 . 5 1 1 A 6 6 ARG CB C 6 30.166 29.529 0.637 1
1 82 . 5 1 1 A 6 6 ARG N N 6 121.458 120.168 1.290 1
1 83 . 5 1 1 A 7 7 ASP H H 7 8.422 8.237 0.185 1
1 84 . 5 1 1 A 7 7 ASP HA H 7 4.414 4.204 0.210 1
1 87 . 5 1 1 A 7 7 ASP C C 7 177.562 178.312 -0.750 1
1 88 . 5 1 1 A 7 7 ASP CA C 7 55.809 57.420 -1.611 1
1 89 . 5 1 1 A 7 7 ASP CB C 7 41.064 40.435 0.629 1
1 90 . 5 1 1 A 7 7 ASP N N 7 120.954 119.336 1.618 1
1 91 . 5 1 1 A 8 8 ARG H H 8 8.061 8.148 -0.087 1
1 92 . 5 1 1 A 8 8 ARG HA H 8 3.971 3.997 -0.026 1
1 99 . 5 1 1 A 8 8 ARG C C 8 178.412 178.251 0.161 1
1 100 . 5 1 1 A 8 8 ARG CA C 8 59.160 58.639 0.521 1
1 101 . 5 1 1 A 8 8 ARG CB C 8 30.192 29.631 0.561 1
1 104 . 5 1 1 A 8 8 ARG N N 8 119.853 117.936 1.917 1
1 105 . 5 1 1 A 9 9 LEU H H 9 7.801 7.598 0.203 1
1 106 . 5 1 1 A 9 9 LEU HA H 9 3.727 3.874 -0.147 1
1 116 . 5 1 1 A 9 9 LEU C C 9 178.182 178.625 -0.443 1
1 117 . 5 1 1 A 9 9 LEU CA C 9 57.192 57.222 -0.030 1
1 118 . 5 1 1 A 9 9 LEU CB C 9 38.370 40.506 -2.136 1
1 122 . 5 1 1 A 9 9 LEU N N 9 121.052 120.856 0.196 1
1 123 . 5 1 1 A 10 10 GLU H H 10 8.172 8.378 -0.206 1
1 124 . 5 1 1 A 10 10 GLU HA H 10 4.014 4.053 -0.039 1
1 129 . 5 1 1 A 10 10 GLU C C 10 180.022 178.398 1.624 1
1 130 . 5 1 1 A 10 10 GLU CA C 10 59.504 59.183 0.321 1
1 131 . 5 1 1 A 10 10 GLU CB C 10 29.451 29.243 0.208 1
1 133 . 5 1 1 A 10 10 GLU N N 10 120.463 120.055 0.408 1
1 134 . 5 1 1 A 11 11 ARG H H 11 8.202 7.554 0.648 1
1 135 . 5 1 1 A 11 11 ARG HA H 11 4.117 4.097 0.020 1
1 142 . 5 1 1 A 11 11 ARG C C 11 178.321 178.292 0.029 1
1 143 . 5 1 1 A 11 11 ARG CA C 11 59.328 58.588 0.740 1
1 144 . 5 1 1 A 11 11 ARG CB C 11 29.798 29.565 0.233 1
1 147 . 5 1 1 A 11 11 ARG N N 11 119.987 120.067 -0.080 1
1 148 . 5 1 1 A 12 12 ALA H H 12 7.661 8.250 -0.589 1
1 149 . 5 1 1 A 12 12 ALA HA H 12 4.603 3.935 0.668 1
1 153 . 5 1 1 A 12 12 ALA C C 12 179.757 179.481 0.276 1
1 154 . 5 1 1 A 12 12 ALA CA C 12 55.536 55.069 0.467 1
1 155 . 5 1 1 A 12 12 ALA CB C 12 18.423 18.191 0.232 1
1 156 . 5 1 1 A 12 12 ALA N N 12 122.208 121.453 0.755 1
1 157 . 5 1 1 A 13 13 GLN H H 13 8.205 8.261 -0.056 1
1 158 . 5 1 1 A 13 13 GLN HA H 13 4.332 4.172 0.160 1
1 165 . 5 1 1 A 13 13 GLN C C 13 178.128 178.298 -0.170 1
1 166 . 5 1 1 A 13 13 GLN CA C 13 59.565 58.391 1.174 1
1 167 . 5 1 1 A 13 13 GLN CB C 13 29.572 29.079 0.493 1
1 169 . 5 1 1 A 13 13 GLN N N 13 118.449 119.372 -0.923 1
1 171 . 5 1 1 A 14 14 SER H H 14 8.245 8.117 0.128 1
1 172 . 5 1 1 A 14 14 SER HA H 14 4.281 4.165 0.116 1
1 175 . 5 1 1 A 14 14 SER C C 14 177.751 176.071 1.680 1
1 176 . 5 1 1 A 14 14 SER CA C 14 61.583 61.642 -0.059 1
1 177 . 5 1 1 A 14 14 SER CB C 14 62.897 62.929 -0.032 1
1 178 . 5 1 1 A 14 14 SER N N 14 115.275 117.211 -1.936 1
1 179 . 5 1 1 A 15 15 GLN H H 15 8.686 8.304 0.382 1
1 180 . 5 1 1 A 15 15 GLN HA H 15 4.124 4.092 0.032 1
1 187 . 5 1 1 A 15 15 GLN C C 15 179.621 178.354 1.267 1
1 188 . 5 1 1 A 15 15 GLN CA C 15 58.803 59.387 -0.584 1
1 189 . 5 1 1 A 15 15 GLN CB C 15 28.201 28.287 -0.086 1
1 191 . 5 1 1 A 15 15 GLN N N 15 121.722 121.162 0.560 1
1 193 . 5 1 1 A 16 16 GLY H H 16 8.439 8.629 -0.190 1
1 194 . 5 1 1 A 16 16 GLY HA2 H 16 1.849 2.482 -0.633 1
1 195 . 5 1 1 A 16 16 GLY HA3 H 16 3.742 2.992 0.750 1
1 196 . 5 1 1 A 16 16 GLY C C 16 175.080 175.079 0.001 1
1 197 . 5 1 1 A 16 16 GLY CA C 16 45.784 46.536 -0.752 1
1 198 . 5 1 1 A 16 16 GLY N N 16 113.363 106.721 6.642 1
1 199 . 5 1 1 A 17 17 TYR H H 17 8.167 7.997 0.170 1
1 200 . 5 1 1 A 17 17 TYR HA H 17 4.014 3.964 0.050 1
1 207 . 5 1 1 A 17 17 TYR C C 17 177.200 177.573 -0.373 1
1 208 . 5 1 1 A 17 17 TYR CA C 17 60.567 60.976 -0.409 1
1 209 . 5 1 1 A 17 17 TYR CB C 17 38.755 38.294 0.461 1
1 214 . 5 1 1 A 17 17 TYR N N 17 123.123 123.500 -0.377 1
1 215 . 5 1 1 A 18 18 LYS H H 18 8.003 8.078 -0.075 1
1 216 . 5 1 1 A 18 18 LYS HA H 18 3.681 4.098 -0.417 1
1 225 . 5 1 1 A 18 18 LYS C C 18 178.838 178.319 0.519 1
1 226 . 5 1 1 A 18 18 LYS CA C 18 59.677 58.910 0.767 1
1 227 . 5 1 1 A 18 18 LYS CB C 18 32.393 32.085 0.308 1
1 231 . 5 1 1 A 18 18 LYS N N 18 117.920 119.238 -1.318 1
1 232 . 5 1 1 A 19 19 ALA H H 19 8.067 8.183 -0.116 1
1 233 . 5 1 1 A 19 19 ALA HA H 19 4.194 4.194 0.000 1
1 237 . 5 1 1 A 19 19 ALA C C 19 180.263 179.921 0.342 1
1 238 . 5 1 1 A 19 19 ALA CA C 19 55.349 54.800 0.549 1
1 239 . 5 1 1 A 19 19 ALA CB C 19 19.039 18.323 0.716 1
1 240 . 5 1 1 A 19 19 ALA N N 19 120.778 121.751 -0.973 1
1 241 . 5 1 1 A 20 20 GLY H H 20 8.527 8.299 0.228 1
1 242 . 5 1 1 A 20 20 GLY HA2 H 20 3.101 3.347 -0.246 1
1 243 . 5 1 1 A 20 20 GLY HA3 H 20 3.303 3.400 -0.097 1
1 244 . 5 1 1 A 20 20 GLY C C 20 177.818 175.215 2.603 1
1 245 . 5 1 1 A 20 20 GLY CA C 20 47.102 46.700 0.402 1
1 246 . 5 1 1 A 20 20 GLY N N 20 107.003 106.048 0.955 1
1 247 . 5 1 1 A 21 21 LEU H H 21 8.310 7.666 0.644 1
1 248 . 5 1 1 A 21 21 LEU HA H 21 3.696 4.156 -0.460 1
1 258 . 5 1 1 A 21 21 LEU C C 21 178.603 178.146 0.457 1
1 259 . 5 1 1 A 21 21 LEU CA C 21 57.417 56.922 0.495 1
1 260 . 5 1 1 A 21 21 LEU CB C 21 41.798 43.320 -1.522 1
1 264 . 5 1 1 A 21 21 LEU N N 21 124.762 121.531 3.231 1
1 265 . 5 1 1 A 22 22 ASN H H 22 7.628 8.705 -1.077 1
1 266 . 5 1 1 A 22 22 ASN HA H 22 4.701 4.763 -0.062 1
1 271 . 5 1 1 A 22 22 ASN C C 22 175.456 178.293 -2.837 1
1 272 . 5 1 1 A 22 22 ASN CA C 22 53.292 55.282 -1.990 1
1 273 . 5 1 1 A 22 22 ASN CB C 22 39.188 38.638 0.550 1
1 274 . 5 1 1 A 22 22 ASN N N 22 114.867 114.668 0.199 1
1 276 . 5 1 1 A 23 23 GLY H H 23 7.586 8.344 -0.758 1
1 277 . 5 1 1 A 23 23 GLY HA2 H 23 3.810 3.904 -0.094 1
1 278 . 5 1 1 A 23 23 GLY HA3 H 23 4.102 3.977 0.125 1
1 279 . 5 1 1 A 23 23 GLY C C 23 175.226 175.002 0.224 1
1 280 . 5 1 1 A 23 23 GLY CA C 23 46.302 46.797 -0.495 1
1 281 . 5 1 1 A 23 23 GLY N N 23 106.650 109.191 -2.541 1
1 282 . 5 1 1 A 24 24 ARG H H 24 8.156 8.171 -0.015 1
1 283 . 5 1 1 A 24 24 ARG HA H 24 4.508 4.267 0.241 1
1 290 . 5 1 1 A 24 24 ARG C C 24 177.405 175.598 1.807 1
1 291 . 5 1 1 A 24 24 ARG CA C 24 55.103 58.340 -3.237 1
1 292 . 5 1 1 A 24 24 ARG CB C 24 30.537 30.125 0.412 1
1 295 . 5 1 1 A 24 24 ARG N N 24 118.161 119.970 -1.809 1
1 296 . 5 1 1 A 25 25 SER H H 25 9.015 8.786 0.229 1
1 297 . 5 1 1 A 25 25 SER HA H 25 4.804 5.083 -0.279 1
1 300 . 5 1 1 A 25 25 SER C C 25 175.005 174.149 0.856 1
1 301 . 5 1 1 A 25 25 SER CA C 25 57.752 57.120 0.632 1
1 302 . 5 1 1 A 25 25 SER CB C 25 64.687 65.816 -1.129 1
1 303 . 5 1 1 A 25 25 SER N N 25 119.720 113.635 6.085 1
1 304 . 5 1 1 A 26 26 GLN H H 26 8.662 8.644 0.018 1
1 305 . 5 1 1 A 26 26 GLN HA H 26 3.162 4.112 -0.950 1
1 312 . 5 1 1 A 26 26 GLN C C 26 177.736 177.811 -0.075 1
1 313 . 5 1 1 A 26 26 GLN CA C 26 58.643 57.866 0.777 1
1 314 . 5 1 1 A 26 26 GLN CB C 26 27.352 28.276 -0.924 1
1 316 . 5 1 1 A 26 26 GLN N N 26 120.247 123.335 -3.088 1
1 318 . 5 1 1 A 27 27 GLU H H 27 8.244 8.127 0.117 1
1 319 . 5 1 1 A 27 27 GLU HA H 27 3.886 4.056 -0.170 1
1 324 . 5 1 1 A 27 27 GLU C C 27 176.177 177.595 -1.418 1
1 325 . 5 1 1 A 27 27 GLU CA C 27 57.807 58.420 -0.613 1
1 326 . 5 1 1 A 27 27 GLU CB C 27 28.583 29.646 -1.063 1
1 328 . 5 1 1 A 27 27 GLU N N 27 117.869 119.955 -2.086 1
1 329 . 5 1 1 A 28 28 ALA H H 28 7.451 7.728 -0.277 1
1 330 . 5 1 1 A 28 28 ALA HA H 28 4.070 4.381 -0.311 1
1 334 . 5 1 1 A 28 28 ALA C C 28 176.063 176.450 -0.387 1
1 335 . 5 1 1 A 28 28 ALA CA C 28 51.945 51.825 0.120 1
1 336 . 5 1 1 A 28 28 ALA CB C 28 18.113 19.051 -0.938 1
1 337 . 5 1 1 A 28 28 ALA N N 28 120.356 120.146 0.210 1
1 338 . 5 1 1 A 29 29 CYS H H 29 6.591 6.936 -0.345 1
1 339 . 5 1 1 A 29 29 CYS HA H 29 1.828 3.910 -2.082 1
1 342 . 5 1 1 A 29 29 CYS CA C 29 56.231 55.181 1.050 1
1 343 . 5 1 1 A 29 29 CYS CB C 29 27.778 27.545 0.233 1
1 344 . 5 1 1 A 29 29 CYS N N 29 121.588 118.608 2.980 1
1 345 . 5 1 1 A 30 30 PRO HA H 30 4.323 4.324 -0.001 1
1 352 . 5 1 1 A 30 30 PRO C C 30 175.515 176.044 -0.529 1
1 353 . 5 1 1 A 30 30 PRO CA C 30 63.382 63.590 -0.208 1
1 354 . 5 1 1 A 30 30 PRO CB C 30 31.551 32.666 -1.115 1
1 357 . 5 1 1 A 31 31 TYR H H 31 6.804 7.862 -1.058 1
1 358 . 5 1 1 A 31 31 TYR HA H 31 4.582 4.431 0.151 1
1 365 . 5 1 1 A 31 31 TYR C C 31 174.785 175.835 -1.050 1
1 366 . 5 1 1 A 31 31 TYR CA C 31 58.348 59.608 -1.260 1
1 367 . 5 1 1 A 31 31 TYR CB C 31 41.030 39.604 1.426 1
1 372 . 5 1 1 A 31 31 TYR N N 31 118.903 119.939 -1.036 1
1 373 . 5 1 1 A 32 32 GLN H H 32 8.763 7.721 1.042 1
1 374 . 5 1 1 A 32 32 GLN HA H 32 4.344 4.700 -0.356 1
1 381 . 5 1 1 A 32 32 GLN C C 32 176.528 174.969 1.559 1
1 382 . 5 1 1 A 32 32 GLN CA C 32 55.996 54.885 1.111 1
1 383 . 5 1 1 A 32 32 GLN CB C 32 30.182 32.268 -2.086 1
1 385 . 5 1 1 A 32 32 GLN N N 32 120.327 114.891 5.436 1
1 387 . 5 1 1 A 33 33 GLN H H 33 8.230 8.658 -0.428 1
1 388 . 5 1 1 A 33 33 GLN HA H 33 4.262 4.407 -0.145 1
1 395 . 5 1 1 A 33 33 GLN C C 33 177.216 178.142 -0.926 1
1 396 . 5 1 1 A 33 33 GLN CA C 33 56.931 57.318 -0.387 1
1 397 . 5 1 1 A 33 33 GLN CB C 33 28.699 30.108 -1.409 1
1 399 . 5 1 1 A 33 33 GLN N N 33 121.712 122.193 -0.481 1
1 401 . 5 1 1 A 34 34 VAL H H 34 8.484 8.049 0.435 1
1 402 . 5 1 1 A 34 34 VAL HA H 34 3.551 3.592 -0.041 1
1 410 . 5 1 1 A 34 34 VAL C C 34 177.685 177.525 0.160 1
1 411 . 5 1 1 A 34 34 VAL CA C 34 66.570 66.738 -0.168 1
1 412 . 5 1 1 A 34 34 VAL CB C 34 31.946 31.682 0.264 1
1 415 . 5 1 1 A 34 34 VAL N N 34 122.145 119.225 2.920 1
1 416 . 5 1 1 A 35 35 ASP H H 35 8.324 8.332 -0.008 1
1 417 . 5 1 1 A 35 35 ASP HA H 35 4.434 4.442 -0.008 1
1 420 . 5 1 1 A 35 35 ASP C C 35 177.892 178.663 -0.771 1
1 421 . 5 1 1 A 35 35 ASP CA C 35 56.826 57.464 -0.638 1
1 422 . 5 1 1 A 35 35 ASP CB C 35 38.807 40.245 -1.438 1
1 423 . 5 1 1 A 35 35 ASP N N 35 120.937 119.536 1.401 1
1 424 . 5 1 1 A 36 36 ALA H H 36 8.431 8.168 0.263 1
1 425 . 5 1 1 A 36 36 ALA HA H 36 3.598 4.239 -0.641 1
1 429 . 5 1 1 A 36 36 ALA C C 36 178.949 179.788 -0.839 1
1 430 . 5 1 1 A 36 36 ALA CA C 36 55.327 55.076 0.251 1
1 431 . 5 1 1 A 36 36 ALA CB C 36 17.371 18.215 -0.844 1
1 432 . 5 1 1 A 36 36 ALA N N 36 126.210 122.849 3.361 1
1 433 . 5 1 1 A 37 37 ARG H H 37 8.458 8.547 -0.089 1
1 434 . 5 1 1 A 37 37 ARG HA H 37 3.857 4.206 -0.349 1
1 442 . 5 1 1 A 37 37 ARG C C 37 177.746 178.290 -0.544 1
1 443 . 5 1 1 A 37 37 ARG CA C 37 60.636 59.774 0.862 1
1 444 . 5 1 1 A 37 37 ARG CB C 37 29.931 29.908 0.023 1
1 447 . 5 1 1 A 37 37 ARG N N 37 116.717 120.007 -3.290 1
1 449 . 5 1 1 A 38 38 SER H H 38 8.173 7.669 0.504 1
1 450 . 5 1 1 A 38 38 SER HA H 38 4.130 4.249 -0.119 1
1 451 . 5 1 1 A 38 38 SER C C 38 178.293 176.504 1.789 1
1 452 . 5 1 1 A 38 38 SER CA C 38 62.627 61.442 1.185 1
1 453 . 5 1 1 A 38 38 SER N N 38 114.110 114.124 -0.014 1
1 454 . 5 1 1 A 39 39 TYR H H 39 8.343 7.435 0.908 1
1 455 . 5 1 1 A 39 39 TYR HA H 39 4.213 4.454 -0.241 1
1 462 . 5 1 1 A 39 39 TYR C C 39 178.701 178.871 -0.170 1
1 463 . 5 1 1 A 39 39 TYR CA C 39 62.466 60.463 2.003 1
1 464 . 5 1 1 A 39 39 TYR CB C 39 38.687 39.127 -0.440 1
1 469 . 5 1 1 A 39 39 TYR N N 39 123.318 118.378 4.940 1
1 470 . 5 1 1 A 40 40 TRP H H 40 8.818 8.490 0.328 1
1 471 . 5 1 1 A 40 40 TRP HA H 40 4.586 4.676 -0.090 1
1 480 . 5 1 1 A 40 40 TRP C C 40 179.359 178.125 1.234 1
1 481 . 5 1 1 A 40 40 TRP CA C 40 61.953 60.631 1.322 1
1 482 . 5 1 1 A 40 40 TRP CB C 40 31.349 30.096 1.253 1
1 488 . 5 1 1 A 40 40 TRP N N 40 123.286 121.771 1.515 1
1 490 . 5 1 1 A 41 41 LEU H H 41 9.368 8.454 0.914 1
1 491 . 5 1 1 A 41 41 LEU HA H 41 4.405 4.314 0.091 1
1 501 . 5 1 1 A 41 41 LEU C C 41 179.498 178.874 0.624 1
1 502 . 5 1 1 A 41 41 LEU CA C 41 58.206 57.657 0.549 1
1 503 . 5 1 1 A 41 41 LEU CB C 41 41.754 42.300 -0.546 1
1 507 . 5 1 1 A 41 41 LEU N N 41 119.265 121.105 -1.840 1
1 508 . 5 1 1 A 42 42 GLY H H 42 8.283 8.486 -0.203 1
1 509 . 5 1 1 A 42 42 GLY HA2 H 42 3.857 3.844 0.013 1
1 510 . 5 1 1 A 42 42 GLY HA3 H 42 3.929 3.877 0.052 1
1 511 . 5 1 1 A 42 42 GLY C C 42 176.508 176.965 -0.457 1
1 512 . 5 1 1 A 42 42 GLY CA C 42 47.412 47.540 -0.128 1
1 513 . 5 1 1 A 42 42 GLY N N 42 108.413 106.896 1.517 1
1 514 . 5 1 1 A 43 43 GLY H H 43 8.181 8.066 0.115 1
1 515 . 5 1 1 A 43 43 GLY HA2 H 43 4.124 3.849 0.275 1
1 516 . 5 1 1 A 43 43 GLY HA3 H 43 4.258 3.884 0.374 1
1 517 . 5 1 1 A 43 43 GLY C C 43 174.891 175.772 -0.881 1
1 518 . 5 1 1 A 43 43 GLY CA C 43 47.341 47.097 0.244 1
1 519 . 5 1 1 A 43 43 GLY N N 43 109.904 108.744 1.160 1
1 520 . 5 1 1 A 44 44 TRP H H 44 8.460 8.054 0.406 1
1 521 . 5 1 1 A 44 44 TRP HA H 44 3.578 4.129 -0.551 1
1 530 . 5 1 1 A 44 44 TRP C C 44 178.547 178.463 0.084 1
1 531 . 5 1 1 A 44 44 TRP CA C 44 62.646 59.930 2.716 1
1 532 . 5 1 1 A 44 44 TRP CB C 44 29.467 29.172 0.295 1
1 538 . 5 1 1 A 44 44 TRP N N 44 124.152 124.178 -0.026 1
1 540 . 5 1 1 A 45 45 ARG H H 45 8.759 8.367 0.392 1
1 541 . 5 1 1 A 45 45 ARG HA H 45 3.669 3.713 -0.044 1
1 549 . 5 1 1 A 45 45 ARG C C 45 178.784 178.574 0.210 1
1 550 . 5 1 1 A 45 45 ARG CA C 45 59.785 59.252 0.533 1
1 551 . 5 1 1 A 45 45 ARG CB C 45 30.295 29.781 0.514 1
1 554 . 5 1 1 A 45 45 ARG N N 45 118.655 118.434 0.221 1
1 556 . 5 1 1 A 46 46 ASP H H 46 8.084 7.883 0.201 1
1 557 . 5 1 1 A 46 46 ASP HA H 46 4.362 4.345 0.017 1
1 560 . 5 1 1 A 46 46 ASP C C 46 178.818 177.859 0.959 1
1 561 . 5 1 1 A 46 46 ASP CA C 46 57.518 57.348 0.170 1
1 562 . 5 1 1 A 46 46 ASP CB C 46 39.752 40.966 -1.214 1
1 563 . 5 1 1 A 46 46 ASP N N 46 120.646 119.346 1.300 1
1 564 . 5 1 1 A 47 47 ALA H H 47 7.873 8.437 -0.564 1
1 565 . 5 1 1 A 47 47 ALA HA H 47 3.627 3.434 0.193 1
1 569 . 5 1 1 A 47 47 ALA C C 47 179.397 179.351 0.046 1
1 570 . 5 1 1 A 47 47 ALA CA C 47 54.962 54.508 0.454 1
1 571 . 5 1 1 A 47 47 ALA CB C 47 18.940 17.824 1.116 1
1 572 . 5 1 1 A 47 47 ALA N N 47 122.126 121.229 0.897 1
1 573 . 5 1 1 A 48 48 ARG H H 48 7.587 7.584 0.003 1
1 574 . 5 1 1 A 48 48 ARG HA H 48 3.538 3.748 -0.210 1
1 582 . 5 1 1 A 48 48 ARG C C 48 178.647 178.744 -0.097 1
1 583 . 5 1 1 A 48 48 ARG CA C 48 57.880 59.549 -1.669 1
1 584 . 5 1 1 A 48 48 ARG CB C 48 28.753 29.891 -1.138 1
1 587 . 5 1 1 A 48 48 ARG N N 48 117.721 117.481 0.240 1
1 589 . 5 1 1 A 49 49 ASP H H 49 8.249 7.705 0.544 1
1 590 . 5 1 1 A 49 49 ASP HA H 49 4.383 4.368 0.015 1
1 593 . 5 1 1 A 49 49 ASP C C 49 178.360 178.446 -0.086 1
1 594 . 5 1 1 A 49 49 ASP CA C 49 56.330 56.304 0.026 1
1 595 . 5 1 1 A 49 49 ASP CB C 49 40.401 40.734 -0.333 1
1 596 . 5 1 1 A 49 49 ASP N N 49 119.997 119.622 0.375 1
1 597 . 5 1 1 A 50 50 GLU H H 50 8.060 7.621 0.439 1
1 598 . 5 1 1 A 50 50 GLU HA H 50 4.007 4.135 -0.128 1
1 603 . 5 1 1 A 50 50 GLU C C 50 178.675 178.430 0.245 1
1 604 . 5 1 1 A 50 50 GLU CA C 50 58.740 58.675 0.065 1
1 605 . 5 1 1 A 50 50 GLU CB C 50 29.585 29.648 -0.063 1
1 607 . 5 1 1 A 50 50 GLU N N 50 121.823 119.121 2.702 1
1 608 . 5 1 1 A 51 51 LYS H H 51 8.089 7.771 0.318 1
1 609 . 5 1 1 A 51 51 LYS HA H 51 4.057 4.139 -0.082 1
1 618 . 5 1 1 A 51 51 LYS C C 51 178.241 178.281 -0.040 1
1 619 . 5 1 1 A 51 51 LYS CA C 51 57.727 58.506 -0.779 1
1 620 . 5 1 1 A 51 51 LYS CB C 51 32.090 32.417 -0.327 1
1 624 . 5 1 1 A 51 51 LYS N N 51 119.415 119.481 -0.066 1
1 625 . 5 1 1 A 52 52 GLN H H 52 8.043 7.809 0.234 1
1 626 . 5 1 1 A 52 52 GLN HA H 52 4.189 4.119 0.070 1
1 633 . 5 1 1 A 52 52 GLN C C 52 176.965 178.111 -1.146 1
1 634 . 5 1 1 A 52 52 GLN CA C 52 56.977 58.124 -1.147 1
1 635 . 5 1 1 A 52 52 GLN CB C 52 28.858 28.738 0.120 1
1 637 . 5 1 1 A 52 52 GLN N N 52 118.262 118.151 0.111 1
1 639 . 5 1 1 A 53 53 SER H H 53 8.088 8.185 -0.097 1
1 640 . 5 1 1 A 53 53 SER HA H 53 4.339 4.448 -0.109 1
1 643 . 5 1 1 A 53 53 SER C C 53 175.679 176.075 -0.396 1
1 644 . 5 1 1 A 53 53 SER CA C 53 59.492 59.920 -0.428 1
1 645 . 5 1 1 A 53 53 SER CB C 53 63.849 63.188 0.661 1
1 646 . 5 1 1 A 53 53 SER N N 53 114.966 115.224 -0.258 1
1 647 . 5 1 1 A 54 54 GLY H H 54 8.228 8.401 -0.173 1
1 648 . 5 1 1 A 54 54 GLY HA2 H 54 3.939 3.921 0.018 1
1 649 . 5 1 1 A 54 54 GLY HA3 H 54 3.867 3.928 -0.061 1
1 650 . 5 1 1 A 54 54 GLY C C 54 174.591 175.713 -1.122 1
1 651 . 5 1 1 A 54 54 GLY CA C 54 45.776 46.308 -0.532 1
1 652 . 5 1 1 A 54 54 GLY N N 54 110.315 111.587 -1.272 1
1 653 . 5 1 1 A 55 55 LEU H H 55 7.846 7.154 0.692 1
1 654 . 5 1 1 A 55 55 LEU HA H 55 4.174 4.273 -0.099 1
1 664 . 5 1 1 A 55 55 LEU C C 55 177.315 177.072 0.243 1
1 665 . 5 1 1 A 55 55 LEU CA C 55 55.716 57.841 -2.125 1
1 666 . 5 1 1 A 55 55 LEU CB C 55 42.103 42.031 0.072 1
1 670 . 5 1 1 A 55 55 LEU N N 55 121.456 121.459 -0.003 1
1 671 . 5 1 1 A 56 56 TYR H H 56 7.960 8.325 -0.365 1
1 672 . 5 1 1 A 56 56 TYR HA H 56 4.450 4.456 -0.006 1
1 679 . 5 1 1 A 56 56 TYR C C 56 176.206 174.803 1.403 1
1 680 . 5 1 1 A 56 56 TYR CA C 56 58.242 59.859 -1.617 1
1 681 . 5 1 1 A 56 56 TYR CB C 56 38.478 38.272 0.206 1
1 686 . 5 1 1 A 56 56 TYR N N 56 119.665 118.764 0.901 1
1 687 . 5 1 1 A 57 57 LYS H H 57 8.015 8.539 -0.524 1
1 688 . 5 1 1 A 57 57 LYS HA H 57 4.154 4.484 -0.330 1
1 697 . 5 1 1 A 57 57 LYS C C 57 176.553 176.713 -0.160 1
1 698 . 5 1 1 A 57 57 LYS CA C 57 56.656 55.637 1.019 1
1 699 . 5 1 1 A 57 57 LYS CB C 57 32.870 33.861 -0.991 1
1 703 . 5 1 1 A 57 57 LYS N N 57 122.012 120.113 1.899 1
1 704 . 5 1 1 A 58 58 LEU H H 58 8.035 8.021 0.014 1
1 705 . 5 1 1 A 58 58 LEU HA H 58 4.185 4.541 -0.356 1
1 715 . 5 1 1 A 58 58 LEU C C 58 177.527 176.766 0.761 1
1 716 . 5 1 1 A 58 58 LEU CA C 58 55.574 55.486 0.088 1
1 717 . 5 1 1 A 58 58 LEU CB C 58 42.175 44.659 -2.484 1
1 721 . 5 1 1 A 58 58 LEU N N 58 122.265 120.565 1.700 1
1 722 . 5 1 1 A 59 59 GLU H H 59 8.253 8.196 0.057 1
1 723 . 5 1 1 A 59 59 GLU HA H 59 4.123 4.083 0.040 1
1 728 . 5 1 1 A 59 59 GLU C C 59 176.231 176.537 -0.306 1
1 729 . 5 1 1 A 59 59 GLU CA C 59 56.658 57.313 -0.655 1
1 730 . 5 1 1 A 59 59 GLU CB C 59 30.246 28.081 2.165 1
1 732 . 5 1 1 A 59 59 GLU N N 59 120.313 119.547 0.766 1
1 7 . 6 1 1 A 2 2 LYS H H 2 8.138 8.563 -0.425 1
1 8 . 6 1 1 A 2 2 LYS HA H 2 4.325 4.465 -0.140 1
1 17 . 6 1 1 A 2 2 LYS C C 2 176.460 176.325 0.135 1
1 18 . 6 1 1 A 2 2 LYS CA C 2 56.632 56.798 -0.166 1
1 19 . 6 1 1 A 2 2 LYS CB C 2 33.087 33.226 -0.139 1
1 23 . 6 1 1 A 2 2 LYS N N 2 125.275 120.595 4.680 1
1 24 . 6 1 1 A 3 3 ARG H H 3 8.624 8.610 0.014 1
1 25 . 6 1 1 A 3 3 ARG HA H 3 4.220 4.613 -0.393 1
1 32 . 6 1 1 A 3 3 ARG C C 3 176.426 175.829 0.597 1
1 33 . 6 1 1 A 3 3 ARG CA C 3 56.705 55.297 1.408 1
1 34 . 6 1 1 A 3 3 ARG CB C 3 30.577 31.274 -0.697 1
1 37 . 6 1 1 A 3 3 ARG N N 3 123.963 120.828 3.135 1
1 38 . 6 1 1 A 4 4 GLN H H 4 8.613 7.480 1.133 1
1 39 . 6 1 1 A 4 4 GLN HA H 4 4.221 4.453 -0.232 1
1 46 . 6 1 1 A 4 4 GLN C C 4 176.604 177.476 -0.872 1
1 47 . 6 1 1 A 4 4 GLN CA C 4 56.626 55.053 1.573 1
1 48 . 6 1 1 A 4 4 GLN CB C 4 29.536 30.094 -0.558 1
1 50 . 6 1 1 A 4 4 GLN N N 4 121.223 119.858 1.365 1
1 52 . 6 1 1 A 5 5 LYS H H 5 8.180 8.899 -0.719 1
1 53 . 6 1 1 A 5 5 LYS HA H 5 4.161 4.000 0.161 1
1 62 . 6 1 1 A 5 5 LYS C C 5 176.971 177.900 -0.929 1
1 63 . 6 1 1 A 5 5 LYS CA C 5 57.367 59.133 -1.766 1
1 64 . 6 1 1 A 5 5 LYS CB C 5 32.873 32.432 0.441 1
1 68 . 6 1 1 A 5 5 LYS N N 5 122.464 123.623 -1.159 1
1 69 . 6 1 1 A 6 6 ARG H H 6 8.345 7.987 0.358 1
1 70 . 6 1 1 A 6 6 ARG HA H 6 4.119 3.847 0.272 1
1 77 . 6 1 1 A 6 6 ARG C C 6 176.908 177.883 -0.975 1
1 78 . 6 1 1 A 6 6 ARG CA C 6 57.246 58.966 -1.720 1
1 79 . 6 1 1 A 6 6 ARG CB C 6 30.166 29.706 0.460 1
1 82 . 6 1 1 A 6 6 ARG N N 6 121.458 119.223 2.235 1
1 83 . 6 1 1 A 7 7 ASP H H 7 8.422 8.388 0.034 1
1 84 . 6 1 1 A 7 7 ASP HA H 7 4.414 4.212 0.202 1
1 87 . 6 1 1 A 7 7 ASP C C 7 177.562 178.295 -0.733 1
1 88 . 6 1 1 A 7 7 ASP CA C 7 55.809 57.123 -1.314 1
1 89 . 6 1 1 A 7 7 ASP CB C 7 41.064 41.648 -0.584 1
1 90 . 6 1 1 A 7 7 ASP N N 7 120.954 119.495 1.459 1
1 91 . 6 1 1 A 8 8 ARG H H 8 8.061 8.181 -0.120 1
1 92 . 6 1 1 A 8 8 ARG HA H 8 3.971 4.220 -0.249 1
1 99 . 6 1 1 A 8 8 ARG C C 8 178.412 178.121 0.291 1
1 100 . 6 1 1 A 8 8 ARG CA C 8 59.160 58.204 0.956 1
1 101 . 6 1 1 A 8 8 ARG CB C 8 30.192 29.043 1.149 1
1 104 . 6 1 1 A 8 8 ARG N N 8 119.853 118.163 1.690 1
1 105 . 6 1 1 A 9 9 LEU H H 9 7.801 7.601 0.200 1
1 106 . 6 1 1 A 9 9 LEU HA H 9 3.727 3.934 -0.207 1
1 116 . 6 1 1 A 9 9 LEU C C 9 178.182 178.659 -0.477 1
1 117 . 6 1 1 A 9 9 LEU CA C 9 57.192 56.736 0.456 1
1 118 . 6 1 1 A 9 9 LEU CB C 9 38.370 41.907 -3.537 1
1 122 . 6 1 1 A 9 9 LEU N N 9 121.052 120.378 0.674 1
1 123 . 6 1 1 A 10 10 GLU H H 10 8.172 8.698 -0.526 1
1 124 . 6 1 1 A 10 10 GLU HA H 10 4.014 4.031 -0.017 1
1 129 . 6 1 1 A 10 10 GLU C C 10 180.022 178.629 1.393 1
1 130 . 6 1 1 A 10 10 GLU CA C 10 59.504 59.064 0.440 1
1 131 . 6 1 1 A 10 10 GLU CB C 10 29.451 29.363 0.088 1
1 133 . 6 1 1 A 10 10 GLU N N 10 120.463 118.777 1.686 1
1 134 . 6 1 1 A 11 11 ARG H H 11 8.202 7.693 0.509 1
1 135 . 6 1 1 A 11 11 ARG HA H 11 4.117 4.107 0.010 1
1 142 . 6 1 1 A 11 11 ARG C C 11 178.321 178.970 -0.649 1
1 143 . 6 1 1 A 11 11 ARG CA C 11 59.328 58.607 0.721 1
1 144 . 6 1 1 A 11 11 ARG CB C 11 29.798 29.633 0.165 1
1 147 . 6 1 1 A 11 11 ARG N N 11 119.987 119.326 0.661 1
1 148 . 6 1 1 A 12 12 ALA H H 12 7.661 7.807 -0.146 1
1 149 . 6 1 1 A 12 12 ALA HA H 12 4.603 3.938 0.665 1
1 153 . 6 1 1 A 12 12 ALA C C 12 179.757 179.579 0.178 1
1 154 . 6 1 1 A 12 12 ALA CA C 12 55.536 55.013 0.523 1
1 155 . 6 1 1 A 12 12 ALA CB C 12 18.423 18.055 0.368 1
1 156 . 6 1 1 A 12 12 ALA N N 12 122.208 122.510 -0.302 1
1 157 . 6 1 1 A 13 13 GLN H H 13 8.205 8.428 -0.223 1
1 158 . 6 1 1 A 13 13 GLN HA H 13 4.332 4.194 0.138 1
1 165 . 6 1 1 A 13 13 GLN C C 13 178.128 178.146 -0.018 1
1 166 . 6 1 1 A 13 13 GLN CA C 13 59.565 58.896 0.669 1
1 167 . 6 1 1 A 13 13 GLN CB C 13 29.572 28.731 0.841 1
1 169 . 6 1 1 A 13 13 GLN N N 13 118.449 118.873 -0.424 1
1 171 . 6 1 1 A 14 14 SER H H 14 8.245 7.556 0.689 1
1 172 . 6 1 1 A 14 14 SER HA H 14 4.281 4.293 -0.012 1
1 175 . 6 1 1 A 14 14 SER C C 14 177.751 177.231 0.520 1
1 176 . 6 1 1 A 14 14 SER CA C 14 61.583 61.289 0.294 1
1 177 . 6 1 1 A 14 14 SER CB C 14 62.897 62.817 0.080 1
1 178 . 6 1 1 A 14 14 SER N N 14 115.275 114.297 0.978 1
1 179 . 6 1 1 A 15 15 GLN H H 15 8.686 8.618 0.068 1
1 180 . 6 1 1 A 15 15 GLN HA H 15 4.124 4.151 -0.027 1
1 187 . 6 1 1 A 15 15 GLN C C 15 179.621 178.320 1.301 1
1 188 . 6 1 1 A 15 15 GLN CA C 15 58.803 59.417 -0.614 1
1 189 . 6 1 1 A 15 15 GLN CB C 15 28.201 28.637 -0.436 1
1 191 . 6 1 1 A 15 15 GLN N N 15 121.722 121.169 0.553 1
1 193 . 6 1 1 A 16 16 GLY H H 16 8.439 8.591 -0.152 1
1 194 . 6 1 1 A 16 16 GLY HA2 H 16 1.849 2.905 -1.056 1
1 195 . 6 1 1 A 16 16 GLY HA3 H 16 3.742 3.026 0.716 1
1 196 . 6 1 1 A 16 16 GLY C C 16 175.080 175.187 -0.107 1
1 197 . 6 1 1 A 16 16 GLY CA C 16 45.784 46.729 -0.945 1
1 198 . 6 1 1 A 16 16 GLY N N 16 113.363 106.757 6.606 1
1 199 . 6 1 1 A 17 17 TYR H H 17 8.167 8.129 0.038 1
1 200 . 6 1 1 A 17 17 TYR HA H 17 4.014 4.070 -0.056 1
1 207 . 6 1 1 A 17 17 TYR C C 17 177.200 177.470 -0.270 1
1 208 . 6 1 1 A 17 17 TYR CA C 17 60.567 61.059 -0.492 1
1 209 . 6 1 1 A 17 17 TYR CB C 17 38.755 38.736 0.019 1
1 214 . 6 1 1 A 17 17 TYR N N 17 123.123 123.576 -0.453 1
1 215 . 6 1 1 A 18 18 LYS H H 18 8.003 8.104 -0.101 1
1 216 . 6 1 1 A 18 18 LYS HA H 18 3.681 4.059 -0.378 1
1 225 . 6 1 1 A 18 18 LYS C C 18 178.838 178.501 0.337 1
1 226 . 6 1 1 A 18 18 LYS CA C 18 59.677 58.987 0.690 1
1 227 . 6 1 1 A 18 18 LYS CB C 18 32.393 32.268 0.125 1
1 231 . 6 1 1 A 18 18 LYS N N 18 117.920 119.387 -1.467 1
1 232 . 6 1 1 A 19 19 ALA H H 19 8.067 8.361 -0.294 1
1 233 . 6 1 1 A 19 19 ALA HA H 19 4.194 4.201 -0.007 1
1 237 . 6 1 1 A 19 19 ALA C C 19 180.263 180.117 0.146 1
1 238 . 6 1 1 A 19 19 ALA CA C 19 55.349 55.096 0.253 1
1 239 . 6 1 1 A 19 19 ALA CB C 19 19.039 18.730 0.309 1
1 240 . 6 1 1 A 19 19 ALA N N 19 120.778 121.777 -0.999 1
1 241 . 6 1 1 A 20 20 GLY H H 20 8.527 8.333 0.194 1
1 242 . 6 1 1 A 20 20 GLY HA2 H 20 3.101 3.302 -0.201 1
1 243 . 6 1 1 A 20 20 GLY HA3 H 20 3.303 3.390 -0.087 1
1 244 . 6 1 1 A 20 20 GLY C C 20 177.818 175.848 1.970 1
1 245 . 6 1 1 A 20 20 GLY CA C 20 47.102 46.974 0.128 1
1 246 . 6 1 1 A 20 20 GLY N N 20 107.003 105.438 1.565 1
1 247 . 6 1 1 A 21 21 LEU H H 21 8.310 7.490 0.820 1
1 248 . 6 1 1 A 21 21 LEU HA H 21 3.696 3.825 -0.129 1
1 258 . 6 1 1 A 21 21 LEU C C 21 178.603 178.401 0.202 1
1 259 . 6 1 1 A 21 21 LEU CA C 21 57.417 57.447 -0.030 1
1 260 . 6 1 1 A 21 21 LEU CB C 21 41.798 42.247 -0.449 1
1 264 . 6 1 1 A 21 21 LEU N N 21 124.762 122.483 2.279 1
1 265 . 6 1 1 A 22 22 ASN H H 22 7.628 8.457 -0.829 1
1 266 . 6 1 1 A 22 22 ASN HA H 22 4.701 4.789 -0.088 1
1 271 . 6 1 1 A 22 22 ASN C C 22 175.456 177.563 -2.107 1
1 272 . 6 1 1 A 22 22 ASN CA C 22 53.292 55.418 -2.126 1
1 273 . 6 1 1 A 22 22 ASN CB C 22 39.188 39.342 -0.154 1
1 274 . 6 1 1 A 22 22 ASN N N 22 114.867 116.530 -1.663 1
1 276 . 6 1 1 A 23 23 GLY H H 23 7.586 8.312 -0.726 1
1 277 . 6 1 1 A 23 23 GLY HA2 H 23 3.810 3.871 -0.061 1
1 278 . 6 1 1 A 23 23 GLY HA3 H 23 4.102 3.943 0.159 1
1 279 . 6 1 1 A 23 23 GLY C C 23 175.226 175.102 0.124 1
1 280 . 6 1 1 A 23 23 GLY CA C 23 46.302 46.261 0.041 1
1 281 . 6 1 1 A 23 23 GLY N N 23 106.650 107.057 -0.407 1
1 282 . 6 1 1 A 24 24 ARG H H 24 8.156 8.331 -0.175 1
1 283 . 6 1 1 A 24 24 ARG HA H 24 4.508 4.161 0.347 1
1 290 . 6 1 1 A 24 24 ARG C C 24 177.405 175.410 1.995 1
1 291 . 6 1 1 A 24 24 ARG CA C 24 55.103 58.272 -3.169 1
1 292 . 6 1 1 A 24 24 ARG CB C 24 30.537 30.107 0.430 1
1 295 . 6 1 1 A 24 24 ARG N N 24 118.161 119.915 -1.754 1
1 296 . 6 1 1 A 25 25 SER H H 25 9.015 8.956 0.059 1
1 297 . 6 1 1 A 25 25 SER HA H 25 4.804 4.985 -0.181 1
1 300 . 6 1 1 A 25 25 SER C C 25 175.005 174.559 0.446 1
1 301 . 6 1 1 A 25 25 SER CA C 25 57.752 57.781 -0.029 1
1 302 . 6 1 1 A 25 25 SER CB C 25 64.687 65.310 -0.623 1
1 303 . 6 1 1 A 25 25 SER N N 25 119.720 113.907 5.813 1
1 304 . 6 1 1 A 26 26 GLN H H 26 8.662 8.799 -0.137 1
1 305 . 6 1 1 A 26 26 GLN HA H 26 3.162 4.244 -1.082 1
1 312 . 6 1 1 A 26 26 GLN C C 26 177.736 177.981 -0.245 1
1 313 . 6 1 1 A 26 26 GLN CA C 26 58.643 57.622 1.021 1
1 314 . 6 1 1 A 26 26 GLN CB C 26 27.352 28.191 -0.839 1
1 316 . 6 1 1 A 26 26 GLN N N 26 120.247 123.285 -3.038 1
1 318 . 6 1 1 A 27 27 GLU H H 27 8.244 8.190 0.054 1
1 319 . 6 1 1 A 27 27 GLU HA H 27 3.886 3.989 -0.103 1
1 324 . 6 1 1 A 27 27 GLU C C 27 176.177 177.831 -1.654 1
1 325 . 6 1 1 A 27 27 GLU CA C 27 57.807 58.742 -0.935 1
1 326 . 6 1 1 A 27 27 GLU CB C 27 28.583 29.623 -1.040 1
1 328 . 6 1 1 A 27 27 GLU N N 27 117.869 120.009 -2.140 1
1 329 . 6 1 1 A 28 28 ALA H H 28 7.451 7.672 -0.221 1
1 330 . 6 1 1 A 28 28 ALA HA H 28 4.070 4.275 -0.205 1
1 334 . 6 1 1 A 28 28 ALA C C 28 176.063 176.840 -0.777 1
1 335 . 6 1 1 A 28 28 ALA CA C 28 51.945 52.557 -0.612 1
1 336 . 6 1 1 A 28 28 ALA CB C 28 18.113 18.670 -0.557 1
1 337 . 6 1 1 A 28 28 ALA N N 28 120.356 119.180 1.176 1
1 338 . 6 1 1 A 29 29 CYS H H 29 6.591 6.997 -0.406 1
1 339 . 6 1 1 A 29 29 CYS HA H 29 1.828 4.141 -2.313 1
1 342 . 6 1 1 A 29 29 CYS CA C 29 56.231 55.232 0.999 1
1 343 . 6 1 1 A 29 29 CYS CB C 29 27.778 27.337 0.441 1
1 344 . 6 1 1 A 29 29 CYS N N 29 121.588 118.893 2.695 1
1 345 . 6 1 1 A 30 30 PRO HA H 30 4.323 4.367 -0.044 1
1 352 . 6 1 1 A 30 30 PRO C C 30 175.515 175.589 -0.074 1
1 353 . 6 1 1 A 30 30 PRO CA C 30 63.382 63.031 0.351 1
1 354 . 6 1 1 A 30 30 PRO CB C 30 31.551 30.616 0.935 1
1 357 . 6 1 1 A 31 31 TYR H H 31 6.804 8.009 -1.205 1
1 358 . 6 1 1 A 31 31 TYR HA H 31 4.582 4.620 -0.038 1
1 365 . 6 1 1 A 31 31 TYR C C 31 174.785 175.626 -0.841 1
1 366 . 6 1 1 A 31 31 TYR CA C 31 58.348 59.244 -0.896 1
1 367 . 6 1 1 A 31 31 TYR CB C 31 41.030 39.775 1.255 1
1 372 . 6 1 1 A 31 31 TYR N N 31 118.903 121.350 -2.447 1
1 373 . 6 1 1 A 32 32 GLN H H 32 8.763 7.765 0.998 1
1 374 . 6 1 1 A 32 32 GLN HA H 32 4.344 4.678 -0.334 1
1 381 . 6 1 1 A 32 32 GLN C C 32 176.528 174.970 1.558 1
1 382 . 6 1 1 A 32 32 GLN CA C 32 55.996 54.821 1.175 1
1 383 . 6 1 1 A 32 32 GLN CB C 32 30.182 32.383 -2.201 1
1 385 . 6 1 1 A 32 32 GLN N N 32 120.327 114.824 5.503 1
1 387 . 6 1 1 A 33 33 GLN H H 33 8.230 8.658 -0.428 1
1 388 . 6 1 1 A 33 33 GLN HA H 33 4.262 4.406 -0.144 1
1 395 . 6 1 1 A 33 33 GLN C C 33 177.216 177.899 -0.683 1
1 396 . 6 1 1 A 33 33 GLN CA C 33 56.931 57.381 -0.450 1
1 397 . 6 1 1 A 33 33 GLN CB C 33 28.699 29.906 -1.207 1
1 399 . 6 1 1 A 33 33 GLN N N 33 121.712 121.719 -0.007 1
1 401 . 6 1 1 A 34 34 VAL H H 34 8.484 8.063 0.421 1
1 402 . 6 1 1 A 34 34 VAL HA H 34 3.551 3.616 -0.065 1
1 410 . 6 1 1 A 34 34 VAL C C 34 177.685 177.660 0.025 1
1 411 . 6 1 1 A 34 34 VAL CA C 34 66.570 66.965 -0.395 1
1 412 . 6 1 1 A 34 34 VAL CB C 34 31.946 31.660 0.286 1
1 415 . 6 1 1 A 34 34 VAL N N 34 122.145 119.055 3.090 1
1 416 . 6 1 1 A 35 35 ASP H H 35 8.324 8.699 -0.375 1
1 417 . 6 1 1 A 35 35 ASP HA H 35 4.434 4.413 0.021 1
1 420 . 6 1 1 A 35 35 ASP C C 35 177.892 178.552 -0.660 1
1 421 . 6 1 1 A 35 35 ASP CA C 35 56.826 56.999 -0.173 1
1 422 . 6 1 1 A 35 35 ASP CB C 35 38.807 39.780 -0.973 1
1 423 . 6 1 1 A 35 35 ASP N N 35 120.937 118.938 1.999 1
1 424 . 6 1 1 A 36 36 ALA H H 36 8.431 8.203 0.228 1
1 425 . 6 1 1 A 36 36 ALA HA H 36 3.598 4.173 -0.575 1
1 429 . 6 1 1 A 36 36 ALA C C 36 178.949 179.198 -0.249 1
1 430 . 6 1 1 A 36 36 ALA CA C 36 55.327 55.028 0.299 1
1 431 . 6 1 1 A 36 36 ALA CB C 36 17.371 18.383 -1.012 1
1 432 . 6 1 1 A 36 36 ALA N N 36 126.210 122.041 4.169 1
1 433 . 6 1 1 A 37 37 ARG H H 37 8.458 8.437 0.021 1
1 434 . 6 1 1 A 37 37 ARG HA H 37 3.857 4.164 -0.307 1
1 442 . 6 1 1 A 37 37 ARG C C 37 177.746 179.232 -1.486 1
1 443 . 6 1 1 A 37 37 ARG CA C 37 60.636 60.045 0.591 1
1 444 . 6 1 1 A 37 37 ARG CB C 37 29.931 30.125 -0.194 1
1 447 . 6 1 1 A 37 37 ARG N N 37 116.717 118.684 -1.967 1
1 449 . 6 1 1 A 38 38 SER H H 38 8.173 7.624 0.549 1
1 450 . 6 1 1 A 38 38 SER HA H 38 4.130 4.242 -0.112 1
1 451 . 6 1 1 A 38 38 SER C C 38 178.293 176.086 2.207 1
1 452 . 6 1 1 A 38 38 SER CA C 38 62.627 60.958 1.669 1
1 453 . 6 1 1 A 38 38 SER N N 38 114.110 115.008 -0.898 1
1 454 . 6 1 1 A 39 39 TYR H H 39 8.343 7.599 0.744 1
1 455 . 6 1 1 A 39 39 TYR HA H 39 4.213 4.509 -0.296 1
1 462 . 6 1 1 A 39 39 TYR C C 39 178.701 178.356 0.345 1
1 463 . 6 1 1 A 39 39 TYR CA C 39 62.466 60.094 2.372 1
1 464 . 6 1 1 A 39 39 TYR CB C 39 38.687 39.593 -0.906 1
1 469 . 6 1 1 A 39 39 TYR N N 39 123.318 118.230 5.088 1
1 470 . 6 1 1 A 40 40 TRP H H 40 8.818 8.631 0.187 1
1 471 . 6 1 1 A 40 40 TRP HA H 40 4.586 4.463 0.123 1
1 480 . 6 1 1 A 40 40 TRP C C 40 179.359 178.090 1.269 1
1 481 . 6 1 1 A 40 40 TRP CA C 40 61.953 60.351 1.602 1
1 482 . 6 1 1 A 40 40 TRP CB C 40 31.349 29.783 1.566 1
1 488 . 6 1 1 A 40 40 TRP N N 40 123.286 122.327 0.959 1
1 490 . 6 1 1 A 41 41 LEU H H 41 9.368 8.319 1.049 1
1 491 . 6 1 1 A 41 41 LEU HA H 41 4.405 4.034 0.371 1
1 501 . 6 1 1 A 41 41 LEU C C 41 179.498 179.180 0.318 1
1 502 . 6 1 1 A 41 41 LEU CA C 41 58.206 57.821 0.385 1
1 503 . 6 1 1 A 41 41 LEU CB C 41 41.754 41.342 0.412 1
1 507 . 6 1 1 A 41 41 LEU N N 41 119.265 119.176 0.089 1
1 508 . 6 1 1 A 42 42 GLY H H 42 8.283 8.225 0.058 1
1 509 . 6 1 1 A 42 42 GLY HA2 H 42 3.857 3.738 0.119 1
1 510 . 6 1 1 A 42 42 GLY HA3 H 42 3.929 3.762 0.167 1
1 511 . 6 1 1 A 42 42 GLY C C 42 176.508 176.651 -0.143 1
1 512 . 6 1 1 A 42 42 GLY CA C 42 47.412 47.489 -0.077 1
1 513 . 6 1 1 A 42 42 GLY N N 42 108.413 106.451 1.962 1
1 514 . 6 1 1 A 43 43 GLY H H 43 8.181 7.889 0.292 1
1 515 . 6 1 1 A 43 43 GLY HA2 H 43 4.124 3.772 0.352 1
1 516 . 6 1 1 A 43 43 GLY HA3 H 43 4.258 3.808 0.450 1
1 517 . 6 1 1 A 43 43 GLY C C 43 174.891 175.779 -0.888 1
1 518 . 6 1 1 A 43 43 GLY CA C 43 47.341 46.965 0.376 1
1 519 . 6 1 1 A 43 43 GLY N N 43 109.904 108.793 1.111 1
1 520 . 6 1 1 A 44 44 TRP H H 44 8.460 7.941 0.519 1
1 521 . 6 1 1 A 44 44 TRP HA H 44 3.578 4.165 -0.587 1
1 530 . 6 1 1 A 44 44 TRP C C 44 178.547 178.385 0.162 1
1 531 . 6 1 1 A 44 44 TRP CA C 44 62.646 59.745 2.901 1
1 532 . 6 1 1 A 44 44 TRP CB C 44 29.467 29.351 0.116 1
1 538 . 6 1 1 A 44 44 TRP N N 44 124.152 124.089 0.063 1
1 540 . 6 1 1 A 45 45 ARG H H 45 8.759 8.549 0.210 1
1 541 . 6 1 1 A 45 45 ARG HA H 45 3.669 3.799 -0.130 1
1 549 . 6 1 1 A 45 45 ARG C C 45 178.784 178.390 0.394 1
1 550 . 6 1 1 A 45 45 ARG CA C 45 59.785 59.303 0.482 1
1 551 . 6 1 1 A 45 45 ARG CB C 45 30.295 29.833 0.462 1
1 554 . 6 1 1 A 45 45 ARG N N 45 118.655 118.189 0.466 1
1 556 . 6 1 1 A 46 46 ASP H H 46 8.084 8.199 -0.115 1
1 557 . 6 1 1 A 46 46 ASP HA H 46 4.362 4.267 0.095 1
1 560 . 6 1 1 A 46 46 ASP C C 46 178.818 178.085 0.733 1
1 561 . 6 1 1 A 46 46 ASP CA C 46 57.518 57.558 -0.040 1
1 562 . 6 1 1 A 46 46 ASP CB C 46 39.752 41.712 -1.960 1
1 563 . 6 1 1 A 46 46 ASP N N 46 120.646 119.192 1.454 1
1 564 . 6 1 1 A 47 47 ALA H H 47 7.873 8.034 -0.161 1
1 565 . 6 1 1 A 47 47 ALA HA H 47 3.627 3.765 -0.138 1
1 569 . 6 1 1 A 47 47 ALA C C 47 179.397 179.036 0.361 1
1 570 . 6 1 1 A 47 47 ALA CA C 47 54.962 55.006 -0.044 1
1 571 . 6 1 1 A 47 47 ALA CB C 47 18.940 17.929 1.011 1
1 572 . 6 1 1 A 47 47 ALA N N 47 122.126 120.922 1.204 1
1 573 . 6 1 1 A 48 48 ARG H H 48 7.587 7.830 -0.243 1
1 574 . 6 1 1 A 48 48 ARG HA H 48 3.538 3.671 -0.133 1
1 582 . 6 1 1 A 48 48 ARG C C 48 178.647 177.617 1.030 1
1 583 . 6 1 1 A 48 48 ARG CA C 48 57.880 59.012 -1.132 1
1 584 . 6 1 1 A 48 48 ARG CB C 48 28.753 29.297 -0.544 1
1 587 . 6 1 1 A 48 48 ARG N N 48 117.721 118.253 -0.532 1
1 589 . 6 1 1 A 49 49 ASP H H 49 8.249 7.975 0.274 1
1 590 . 6 1 1 A 49 49 ASP HA H 49 4.383 4.311 0.072 1
1 593 . 6 1 1 A 49 49 ASP C C 49 178.360 178.599 -0.239 1
1 594 . 6 1 1 A 49 49 ASP CA C 49 56.330 56.267 0.063 1
1 595 . 6 1 1 A 49 49 ASP CB C 49 40.401 40.746 -0.345 1
1 596 . 6 1 1 A 49 49 ASP N N 49 119.997 119.596 0.401 1
1 597 . 6 1 1 A 50 50 GLU H H 50 8.060 7.603 0.457 1
1 598 . 6 1 1 A 50 50 GLU HA H 50 4.007 4.058 -0.051 1
1 603 . 6 1 1 A 50 50 GLU C C 50 178.675 178.437 0.238 1
1 604 . 6 1 1 A 50 50 GLU CA C 50 58.740 58.781 -0.041 1
1 605 . 6 1 1 A 50 50 GLU CB C 50 29.585 29.205 0.380 1
1 607 . 6 1 1 A 50 50 GLU N N 50 121.823 118.873 2.950 1
1 608 . 6 1 1 A 51 51 LYS H H 51 8.089 7.649 0.440 1
1 609 . 6 1 1 A 51 51 LYS HA H 51 4.057 4.176 -0.119 1
1 618 . 6 1 1 A 51 51 LYS C C 51 178.241 178.580 -0.339 1
1 619 . 6 1 1 A 51 51 LYS CA C 51 57.727 58.741 -1.014 1
1 620 . 6 1 1 A 51 51 LYS CB C 51 32.090 32.233 -0.143 1
1 624 . 6 1 1 A 51 51 LYS N N 51 119.415 119.551 -0.136 1
1 625 . 6 1 1 A 52 52 GLN H H 52 8.043 7.670 0.373 1
1 626 . 6 1 1 A 52 52 GLN HA H 52 4.189 4.150 0.039 1
1 633 . 6 1 1 A 52 52 GLN C C 52 176.965 178.465 -1.500 1
1 634 . 6 1 1 A 52 52 GLN CA C 52 56.977 58.252 -1.275 1
1 635 . 6 1 1 A 52 52 GLN CB C 52 28.858 29.119 -0.261 1
1 637 . 6 1 1 A 52 52 GLN N N 52 118.262 119.448 -1.186 1
1 639 . 6 1 1 A 53 53 SER H H 53 8.088 8.376 -0.288 1
1 640 . 6 1 1 A 53 53 SER HA H 53 4.339 4.265 0.074 1
1 643 . 6 1 1 A 53 53 SER C C 53 175.679 176.307 -0.628 1
1 644 . 6 1 1 A 53 53 SER CA C 53 59.492 60.713 -1.221 1
1 645 . 6 1 1 A 53 53 SER CB C 53 63.849 62.716 1.133 1
1 646 . 6 1 1 A 53 53 SER N N 53 114.966 114.585 0.381 1
1 647 . 6 1 1 A 54 54 GLY H H 54 8.228 7.464 0.764 1
1 648 . 6 1 1 A 54 54 GLY HA2 H 54 3.939 3.921 0.018 1
1 649 . 6 1 1 A 54 54 GLY HA3 H 54 3.867 3.926 -0.059 1
1 650 . 6 1 1 A 54 54 GLY C C 54 174.591 173.557 1.034 1
1 651 . 6 1 1 A 54 54 GLY CA C 54 45.776 45.618 0.158 1
1 652 . 6 1 1 A 54 54 GLY N N 54 110.315 109.913 0.402 1
1 653 . 6 1 1 A 55 55 LEU H H 55 7.846 7.799 0.047 1
1 654 . 6 1 1 A 55 55 LEU HA H 55 4.174 3.982 0.192 1
1 664 . 6 1 1 A 55 55 LEU C C 55 177.315 176.413 0.902 1
1 665 . 6 1 1 A 55 55 LEU CA C 55 55.716 55.425 0.291 1
1 666 . 6 1 1 A 55 55 LEU CB C 55 42.103 40.467 1.636 1
1 670 . 6 1 1 A 55 55 LEU N N 55 121.456 116.008 5.448 1
1 671 . 6 1 1 A 56 56 TYR H H 56 7.960 7.935 0.025 1
1 672 . 6 1 1 A 56 56 TYR HA H 56 4.450 4.139 0.311 1
1 679 . 6 1 1 A 56 56 TYR C C 56 176.206 175.522 0.684 1
1 680 . 6 1 1 A 56 56 TYR CA C 56 58.242 61.127 -2.885 1
1 681 . 6 1 1 A 56 56 TYR CB C 56 38.478 39.002 -0.524 1
1 686 . 6 1 1 A 56 56 TYR N N 56 119.665 124.457 -4.792 1
1 687 . 6 1 1 A 57 57 LYS H H 57 8.015 8.018 -0.003 1
1 688 . 6 1 1 A 57 57 LYS HA H 57 4.154 3.914 0.240 1
1 697 . 6 1 1 A 57 57 LYS C C 57 176.553 175.289 1.264 1
1 698 . 6 1 1 A 57 57 LYS CA C 57 56.656 57.080 -0.424 1
1 699 . 6 1 1 A 57 57 LYS CB C 57 32.870 30.806 2.064 1
1 703 . 6 1 1 A 57 57 LYS N N 57 122.012 119.521 2.491 1
1 704 . 6 1 1 A 58 58 LEU H H 58 8.035 8.143 -0.108 1
1 705 . 6 1 1 A 58 58 LEU HA H 58 4.185 4.874 -0.689 1
1 715 . 6 1 1 A 58 58 LEU C C 58 177.527 176.621 0.906 1
1 716 . 6 1 1 A 58 58 LEU CA C 58 55.574 53.781 1.793 1
1 717 . 6 1 1 A 58 58 LEU CB C 58 42.175 43.934 -1.759 1
1 721 . 6 1 1 A 58 58 LEU N N 58 122.265 121.345 0.920 1
1 722 . 6 1 1 A 59 59 GLU H H 59 8.253 8.833 -0.580 1
1 723 . 6 1 1 A 59 59 GLU HA H 59 4.123 4.800 -0.677 1
1 728 . 6 1 1 A 59 59 GLU C C 59 176.231 174.612 1.619 1
1 729 . 6 1 1 A 59 59 GLU CA C 59 56.658 56.664 -0.006 1
1 730 . 6 1 1 A 59 59 GLU CB C 59 30.246 31.834 -1.588 1
1 732 . 6 1 1 A 59 59 GLU N N 59 120.313 121.520 -1.207 1
1 7 . 7 1 1 A 2 2 LYS H H 2 8.138 8.628 -0.490 1
1 8 . 7 1 1 A 2 2 LYS HA H 2 4.325 4.721 -0.396 1
1 17 . 7 1 1 A 2 2 LYS C C 2 176.460 176.223 0.237 1
1 18 . 7 1 1 A 2 2 LYS CA C 2 56.632 54.557 2.075 1
1 19 . 7 1 1 A 2 2 LYS CB C 2 33.087 34.834 -1.747 1
1 23 . 7 1 1 A 2 2 LYS N N 2 125.275 125.316 -0.041 1
1 24 . 7 1 1 A 3 3 ARG H H 3 8.624 8.821 -0.197 1
1 25 . 7 1 1 A 3 3 ARG HA H 3 4.220 4.462 -0.242 1
1 32 . 7 1 1 A 3 3 ARG C C 3 176.426 176.212 0.214 1
1 33 . 7 1 1 A 3 3 ARG CA C 3 56.705 57.568 -0.863 1
1 34 . 7 1 1 A 3 3 ARG CB C 3 30.577 31.364 -0.787 1
1 37 . 7 1 1 A 3 3 ARG N N 3 123.963 122.013 1.950 1
1 38 . 7 1 1 A 4 4 GLN H H 4 8.613 8.236 0.377 1
1 39 . 7 1 1 A 4 4 GLN HA H 4 4.221 4.868 -0.647 1
1 46 . 7 1 1 A 4 4 GLN C C 4 176.604 176.437 0.167 1
1 47 . 7 1 1 A 4 4 GLN CA C 4 56.626 55.643 0.983 1
1 48 . 7 1 1 A 4 4 GLN CB C 4 29.536 27.730 1.806 1
1 50 . 7 1 1 A 4 4 GLN N N 4 121.223 116.364 4.859 1
1 52 . 7 1 1 A 5 5 LYS H H 5 8.180 8.091 0.089 1
1 53 . 7 1 1 A 5 5 LYS HA H 5 4.161 4.278 -0.117 1
1 62 . 7 1 1 A 5 5 LYS C C 5 176.971 178.662 -1.691 1
1 63 . 7 1 1 A 5 5 LYS CA C 5 57.367 58.471 -1.104 1
1 64 . 7 1 1 A 5 5 LYS CB C 5 32.873 32.880 -0.007 1
1 68 . 7 1 1 A 5 5 LYS N N 5 122.464 120.298 2.166 1
1 69 . 7 1 1 A 6 6 ARG H H 6 8.345 7.911 0.434 1
1 70 . 7 1 1 A 6 6 ARG HA H 6 4.119 3.960 0.159 1
1 77 . 7 1 1 A 6 6 ARG C C 6 176.908 178.382 -1.474 1
1 78 . 7 1 1 A 6 6 ARG CA C 6 57.246 58.436 -1.190 1
1 79 . 7 1 1 A 6 6 ARG CB C 6 30.166 29.593 0.573 1
1 82 . 7 1 1 A 6 6 ARG N N 6 121.458 119.371 2.087 1
1 83 . 7 1 1 A 7 7 ASP H H 7 8.422 8.023 0.399 1
1 84 . 7 1 1 A 7 7 ASP HA H 7 4.414 4.314 0.100 1
1 87 . 7 1 1 A 7 7 ASP C C 7 177.562 178.208 -0.646 1
1 88 . 7 1 1 A 7 7 ASP CA C 7 55.809 57.374 -1.565 1
1 89 . 7 1 1 A 7 7 ASP CB C 7 41.064 40.029 1.035 1
1 90 . 7 1 1 A 7 7 ASP N N 7 120.954 119.033 1.921 1
1 91 . 7 1 1 A 8 8 ARG H H 8 8.061 8.104 -0.043 1
1 92 . 7 1 1 A 8 8 ARG HA H 8 3.971 4.007 -0.036 1
1 99 . 7 1 1 A 8 8 ARG C C 8 178.412 177.134 1.278 1
1 100 . 7 1 1 A 8 8 ARG CA C 8 59.160 57.802 1.358 1
1 101 . 7 1 1 A 8 8 ARG CB C 8 30.192 29.757 0.435 1
1 104 . 7 1 1 A 8 8 ARG N N 8 119.853 118.134 1.719 1
1 105 . 7 1 1 A 9 9 LEU H H 9 7.801 7.487 0.314 1
1 106 . 7 1 1 A 9 9 LEU HA H 9 3.727 4.053 -0.326 1
1 116 . 7 1 1 A 9 9 LEU C C 9 178.182 178.629 -0.447 1
1 117 . 7 1 1 A 9 9 LEU CA C 9 57.192 56.535 0.657 1
1 118 . 7 1 1 A 9 9 LEU CB C 9 38.370 41.344 -2.974 1
1 122 . 7 1 1 A 9 9 LEU N N 9 121.052 119.881 1.171 1
1 123 . 7 1 1 A 10 10 GLU H H 10 8.172 8.451 -0.279 1
1 124 . 7 1 1 A 10 10 GLU HA H 10 4.014 4.002 0.012 1
1 129 . 7 1 1 A 10 10 GLU C C 10 180.022 178.595 1.427 1
1 130 . 7 1 1 A 10 10 GLU CA C 10 59.504 59.188 0.316 1
1 131 . 7 1 1 A 10 10 GLU CB C 10 29.451 29.226 0.225 1
1 133 . 7 1 1 A 10 10 GLU N N 10 120.463 119.796 0.667 1
1 134 . 7 1 1 A 11 11 ARG H H 11 8.202 7.630 0.572 1
1 135 . 7 1 1 A 11 11 ARG HA H 11 4.117 4.040 0.077 1
1 142 . 7 1 1 A 11 11 ARG C C 11 178.321 178.574 -0.253 1
1 143 . 7 1 1 A 11 11 ARG CA C 11 59.328 58.719 0.609 1
1 144 . 7 1 1 A 11 11 ARG CB C 11 29.798 29.804 -0.006 1
1 147 . 7 1 1 A 11 11 ARG N N 11 119.987 119.946 0.041 1
1 148 . 7 1 1 A 12 12 ALA H H 12 7.661 8.049 -0.388 1
1 149 . 7 1 1 A 12 12 ALA HA H 12 4.603 4.001 0.602 1
1 153 . 7 1 1 A 12 12 ALA C C 12 179.757 179.733 0.024 1
1 154 . 7 1 1 A 12 12 ALA CA C 12 55.536 54.899 0.637 1
1 155 . 7 1 1 A 12 12 ALA CB C 12 18.423 18.307 0.116 1
1 156 . 7 1 1 A 12 12 ALA N N 12 122.208 121.464 0.744 1
1 157 . 7 1 1 A 13 13 GLN H H 13 8.205 8.154 0.051 1
1 158 . 7 1 1 A 13 13 GLN HA H 13 4.332 4.161 0.171 1
1 165 . 7 1 1 A 13 13 GLN C C 13 178.128 178.341 -0.213 1
1 166 . 7 1 1 A 13 13 GLN CA C 13 59.565 58.192 1.373 1
1 167 . 7 1 1 A 13 13 GLN CB C 13 29.572 29.074 0.498 1
1 169 . 7 1 1 A 13 13 GLN N N 13 118.449 119.806 -1.357 1
1 171 . 7 1 1 A 14 14 SER H H 14 8.245 7.856 0.389 1
1 172 . 7 1 1 A 14 14 SER HA H 14 4.281 4.184 0.097 1
1 175 . 7 1 1 A 14 14 SER C C 14 177.751 175.981 1.770 1
1 176 . 7 1 1 A 14 14 SER CA C 14 61.583 61.540 0.043 1
1 177 . 7 1 1 A 14 14 SER CB C 14 62.897 62.939 -0.042 1
1 178 . 7 1 1 A 14 14 SER N N 14 115.275 117.405 -2.130 1
1 179 . 7 1 1 A 15 15 GLN H H 15 8.686 8.214 0.472 1
1 180 . 7 1 1 A 15 15 GLN HA H 15 4.124 4.120 0.004 1
1 187 . 7 1 1 A 15 15 GLN C C 15 179.621 178.370 1.251 1
1 188 . 7 1 1 A 15 15 GLN CA C 15 58.803 59.506 -0.703 1
1 189 . 7 1 1 A 15 15 GLN CB C 15 28.201 28.261 -0.060 1
1 191 . 7 1 1 A 15 15 GLN N N 15 121.722 121.125 0.597 1
1 193 . 7 1 1 A 16 16 GLY H H 16 8.439 8.500 -0.061 1
1 194 . 7 1 1 A 16 16 GLY HA2 H 16 1.849 2.610 -0.761 1
1 195 . 7 1 1 A 16 16 GLY HA3 H 16 3.742 3.029 0.713 1
1 196 . 7 1 1 A 16 16 GLY C C 16 175.080 175.091 -0.011 1
1 197 . 7 1 1 A 16 16 GLY CA C 16 45.784 46.584 -0.800 1
1 198 . 7 1 1 A 16 16 GLY N N 16 113.363 106.631 6.732 1
1 199 . 7 1 1 A 17 17 TYR H H 17 8.167 8.162 0.005 1
1 200 . 7 1 1 A 17 17 TYR HA H 17 4.014 3.991 0.023 1
1 207 . 7 1 1 A 17 17 TYR C C 17 177.200 177.635 -0.435 1
1 208 . 7 1 1 A 17 17 TYR CA C 17 60.567 61.149 -0.582 1
1 209 . 7 1 1 A 17 17 TYR CB C 17 38.755 38.850 -0.095 1
1 214 . 7 1 1 A 17 17 TYR N N 17 123.123 123.480 -0.357 1
1 215 . 7 1 1 A 18 18 LYS H H 18 8.003 8.195 -0.192 1
1 216 . 7 1 1 A 18 18 LYS HA H 18 3.681 4.142 -0.461 1
1 225 . 7 1 1 A 18 18 LYS C C 18 178.838 178.821 0.017 1
1 226 . 7 1 1 A 18 18 LYS CA C 18 59.677 58.926 0.751 1
1 227 . 7 1 1 A 18 18 LYS CB C 18 32.393 32.237 0.156 1
1 231 . 7 1 1 A 18 18 LYS N N 18 117.920 119.271 -1.351 1
1 232 . 7 1 1 A 19 19 ALA H H 19 8.067 8.340 -0.273 1
1 233 . 7 1 1 A 19 19 ALA HA H 19 4.194 4.190 0.004 1
1 237 . 7 1 1 A 19 19 ALA C C 19 180.263 180.020 0.243 1
1 238 . 7 1 1 A 19 19 ALA CA C 19 55.349 54.910 0.439 1
1 239 . 7 1 1 A 19 19 ALA CB C 19 19.039 18.369 0.670 1
1 240 . 7 1 1 A 19 19 ALA N N 19 120.778 121.413 -0.635 1
1 241 . 7 1 1 A 20 20 GLY H H 20 8.527 8.251 0.276 1
1 242 . 7 1 1 A 20 20 GLY HA2 H 20 3.101 3.177 -0.076 1
1 243 . 7 1 1 A 20 20 GLY HA3 H 20 3.303 3.324 -0.021 1
1 244 . 7 1 1 A 20 20 GLY C C 20 177.818 175.720 2.098 1
1 245 . 7 1 1 A 20 20 GLY CA C 20 47.102 46.997 0.105 1
1 246 . 7 1 1 A 20 20 GLY N N 20 107.003 106.266 0.737 1
1 247 . 7 1 1 A 21 21 LEU H H 21 8.310 7.496 0.814 1
1 248 . 7 1 1 A 21 21 LEU HA H 21 3.696 3.979 -0.283 1
1 258 . 7 1 1 A 21 21 LEU C C 21 178.603 178.125 0.478 1
1 259 . 7 1 1 A 21 21 LEU CA C 21 57.417 57.691 -0.274 1
1 260 . 7 1 1 A 21 21 LEU CB C 21 41.798 41.909 -0.111 1
1 264 . 7 1 1 A 21 21 LEU N N 21 124.762 122.775 1.987 1
1 265 . 7 1 1 A 22 22 ASN H H 22 7.628 8.921 -1.293 1
1 266 . 7 1 1 A 22 22 ASN HA H 22 4.701 4.778 -0.077 1
1 271 . 7 1 1 A 22 22 ASN C C 22 175.456 178.259 -2.803 1
1 272 . 7 1 1 A 22 22 ASN CA C 22 53.292 55.148 -1.856 1
1 273 . 7 1 1 A 22 22 ASN CB C 22 39.188 38.546 0.642 1
1 274 . 7 1 1 A 22 22 ASN N N 22 114.867 114.879 -0.012 1
1 276 . 7 1 1 A 23 23 GLY H H 23 7.586 8.000 -0.414 1
1 277 . 7 1 1 A 23 23 GLY HA2 H 23 3.810 3.952 -0.142 1
1 278 . 7 1 1 A 23 23 GLY HA3 H 23 4.102 4.029 0.073 1
1 279 . 7 1 1 A 23 23 GLY C C 23 175.226 175.290 -0.064 1
1 280 . 7 1 1 A 23 23 GLY CA C 23 46.302 46.875 -0.573 1
1 281 . 7 1 1 A 23 23 GLY N N 23 106.650 109.101 -2.451 1
1 282 . 7 1 1 A 24 24 ARG H H 24 8.156 8.038 0.118 1
1 283 . 7 1 1 A 24 24 ARG HA H 24 4.508 4.252 0.256 1
1 290 . 7 1 1 A 24 24 ARG C C 24 177.405 175.183 2.222 1
1 291 . 7 1 1 A 24 24 ARG CA C 24 55.103 58.234 -3.131 1
1 292 . 7 1 1 A 24 24 ARG CB C 24 30.537 30.264 0.273 1
1 295 . 7 1 1 A 24 24 ARG N N 24 118.161 119.972 -1.811 1
1 296 . 7 1 1 A 25 25 SER H H 25 9.015 8.620 0.395 1
1 297 . 7 1 1 A 25 25 SER HA H 25 4.804 5.133 -0.329 1
1 300 . 7 1 1 A 25 25 SER C C 25 175.005 173.936 1.069 1
1 301 . 7 1 1 A 25 25 SER CA C 25 57.752 57.718 0.034 1
1 302 . 7 1 1 A 25 25 SER CB C 25 64.687 66.180 -1.493 1
1 303 . 7 1 1 A 25 25 SER N N 25 119.720 112.199 7.521 1
1 304 . 7 1 1 A 26 26 GLN H H 26 8.662 8.604 0.058 1
1 305 . 7 1 1 A 26 26 GLN HA H 26 3.162 4.147 -0.985 1
1 312 . 7 1 1 A 26 26 GLN C C 26 177.736 177.804 -0.068 1
1 313 . 7 1 1 A 26 26 GLN CA C 26 58.643 58.026 0.617 1
1 314 . 7 1 1 A 26 26 GLN CB C 26 27.352 28.194 -0.842 1
1 316 . 7 1 1 A 26 26 GLN N N 26 120.247 122.843 -2.596 1
1 318 . 7 1 1 A 27 27 GLU H H 27 8.244 8.137 0.107 1
1 319 . 7 1 1 A 27 27 GLU HA H 27 3.886 4.003 -0.117 1
1 324 . 7 1 1 A 27 27 GLU C C 27 176.177 177.751 -1.574 1
1 325 . 7 1 1 A 27 27 GLU CA C 27 57.807 58.666 -0.859 1
1 326 . 7 1 1 A 27 27 GLU CB C 27 28.583 29.642 -1.059 1
1 328 . 7 1 1 A 27 27 GLU N N 27 117.869 119.779 -1.910 1
1 329 . 7 1 1 A 28 28 ALA H H 28 7.451 7.667 -0.216 1
1 330 . 7 1 1 A 28 28 ALA HA H 28 4.070 4.314 -0.244 1
1 334 . 7 1 1 A 28 28 ALA C C 28 176.063 176.507 -0.444 1
1 335 . 7 1 1 A 28 28 ALA CA C 28 51.945 52.265 -0.320 1
1 336 . 7 1 1 A 28 28 ALA CB C 28 18.113 18.701 -0.588 1
1 337 . 7 1 1 A 28 28 ALA N N 28 120.356 118.958 1.398 1
1 338 . 7 1 1 A 29 29 CYS H H 29 6.591 7.261 -0.670 1
1 339 . 7 1 1 A 29 29 CYS HA H 29 1.828 3.851 -2.023 1
1 342 . 7 1 1 A 29 29 CYS CA C 29 56.231 55.057 1.174 1
1 343 . 7 1 1 A 29 29 CYS CB C 29 27.778 27.539 0.239 1
1 344 . 7 1 1 A 29 29 CYS N N 29 121.588 119.042 2.546 1
1 345 . 7 1 1 A 30 30 PRO HA H 30 4.323 4.363 -0.040 1
1 352 . 7 1 1 A 30 30 PRO C C 30 175.515 176.212 -0.697 1
1 353 . 7 1 1 A 30 30 PRO CA C 30 63.382 63.595 -0.213 1
1 354 . 7 1 1 A 30 30 PRO CB C 30 31.551 32.836 -1.285 1
1 357 . 7 1 1 A 31 31 TYR H H 31 6.804 7.784 -0.980 1
1 358 . 7 1 1 A 31 31 TYR HA H 31 4.582 4.425 0.157 1
1 365 . 7 1 1 A 31 31 TYR C C 31 174.785 175.404 -0.619 1
1 366 . 7 1 1 A 31 31 TYR CA C 31 58.348 59.779 -1.431 1
1 367 . 7 1 1 A 31 31 TYR CB C 31 41.030 39.227 1.803 1
1 372 . 7 1 1 A 31 31 TYR N N 31 118.903 120.183 -1.280 1
1 373 . 7 1 1 A 32 32 GLN H H 32 8.763 8.012 0.751 1
1 374 . 7 1 1 A 32 32 GLN HA H 32 4.344 4.724 -0.380 1
1 381 . 7 1 1 A 32 32 GLN C C 32 176.528 174.758 1.770 1
1 382 . 7 1 1 A 32 32 GLN CA C 32 55.996 54.036 1.960 1
1 383 . 7 1 1 A 32 32 GLN CB C 32 30.182 31.841 -1.659 1
1 385 . 7 1 1 A 32 32 GLN N N 32 120.327 116.921 3.406 1
1 387 . 7 1 1 A 33 33 GLN H H 33 8.230 8.613 -0.383 1
1 388 . 7 1 1 A 33 33 GLN HA H 33 4.262 4.405 -0.143 1
1 395 . 7 1 1 A 33 33 GLN C C 33 177.216 177.539 -0.323 1
1 396 . 7 1 1 A 33 33 GLN CA C 33 56.931 57.604 -0.673 1
1 397 . 7 1 1 A 33 33 GLN CB C 33 28.699 29.450 -0.751 1
1 399 . 7 1 1 A 33 33 GLN N N 33 121.712 121.998 -0.286 1
1 401 . 7 1 1 A 34 34 VAL H H 34 8.484 8.008 0.476 1
1 402 . 7 1 1 A 34 34 VAL HA H 34 3.551 3.480 0.071 1
1 410 . 7 1 1 A 34 34 VAL C C 34 177.685 177.799 -0.114 1
1 411 . 7 1 1 A 34 34 VAL CA C 34 66.570 66.344 0.226 1
1 412 . 7 1 1 A 34 34 VAL CB C 34 31.946 31.785 0.161 1
1 415 . 7 1 1 A 34 34 VAL N N 34 122.145 120.130 2.015 1
1 416 . 7 1 1 A 35 35 ASP H H 35 8.324 8.331 -0.007 1
1 417 . 7 1 1 A 35 35 ASP HA H 35 4.434 4.418 0.016 1
1 420 . 7 1 1 A 35 35 ASP C C 35 177.892 178.709 -0.817 1
1 421 . 7 1 1 A 35 35 ASP CA C 35 56.826 57.531 -0.705 1
1 422 . 7 1 1 A 35 35 ASP CB C 35 38.807 40.321 -1.514 1
1 423 . 7 1 1 A 35 35 ASP N N 35 120.937 120.193 0.744 1
1 424 . 7 1 1 A 36 36 ALA H H 36 8.431 8.311 0.120 1
1 425 . 7 1 1 A 36 36 ALA HA H 36 3.598 4.216 -0.618 1
1 429 . 7 1 1 A 36 36 ALA C C 36 178.949 179.577 -0.628 1
1 430 . 7 1 1 A 36 36 ALA CA C 36 55.327 55.164 0.163 1
1 431 . 7 1 1 A 36 36 ALA CB C 36 17.371 18.243 -0.872 1
1 432 . 7 1 1 A 36 36 ALA N N 36 126.210 122.833 3.377 1
1 433 . 7 1 1 A 37 37 ARG H H 37 8.458 8.019 0.439 1
1 434 . 7 1 1 A 37 37 ARG HA H 37 3.857 4.187 -0.330 1
1 442 . 7 1 1 A 37 37 ARG C C 37 177.746 178.593 -0.847 1
1 443 . 7 1 1 A 37 37 ARG CA C 37 60.636 59.746 0.890 1
1 444 . 7 1 1 A 37 37 ARG CB C 37 29.931 29.893 0.038 1
1 447 . 7 1 1 A 37 37 ARG N N 37 116.717 120.018 -3.301 1
1 449 . 7 1 1 A 38 38 SER H H 38 8.173 8.201 -0.028 1
1 450 . 7 1 1 A 38 38 SER HA H 38 4.130 4.290 -0.160 1
1 451 . 7 1 1 A 38 38 SER C C 38 178.293 175.708 2.585 1
1 452 . 7 1 1 A 38 38 SER CA C 38 62.627 60.910 1.717 1
1 453 . 7 1 1 A 38 38 SER N N 38 114.110 115.208 -1.098 1
1 454 . 7 1 1 A 39 39 TYR H H 39 8.343 7.510 0.833 1
1 455 . 7 1 1 A 39 39 TYR HA H 39 4.213 4.525 -0.312 1
1 462 . 7 1 1 A 39 39 TYR C C 39 178.701 178.433 0.268 1
1 463 . 7 1 1 A 39 39 TYR CA C 39 62.466 60.304 2.162 1
1 464 . 7 1 1 A 39 39 TYR CB C 39 38.687 39.658 -0.971 1
1 469 . 7 1 1 A 39 39 TYR N N 39 123.318 119.435 3.883 1
1 470 . 7 1 1 A 40 40 TRP H H 40 8.818 8.501 0.317 1
1 471 . 7 1 1 A 40 40 TRP HA H 40 4.586 4.860 -0.274 1
1 480 . 7 1 1 A 40 40 TRP C C 40 179.359 178.194 1.165 1
1 481 . 7 1 1 A 40 40 TRP CA C 40 61.953 60.653 1.300 1
1 482 . 7 1 1 A 40 40 TRP CB C 40 31.349 30.006 1.343 1
1 488 . 7 1 1 A 40 40 TRP N N 40 123.286 121.609 1.677 1
1 490 . 7 1 1 A 41 41 LEU H H 41 9.368 8.286 1.082 1
1 491 . 7 1 1 A 41 41 LEU HA H 41 4.405 4.266 0.139 1
1 501 . 7 1 1 A 41 41 LEU C C 41 179.498 178.869 0.629 1
1 502 . 7 1 1 A 41 41 LEU CA C 41 58.206 57.299 0.907 1
1 503 . 7 1 1 A 41 41 LEU CB C 41 41.754 41.996 -0.242 1
1 507 . 7 1 1 A 41 41 LEU N N 41 119.265 121.077 -1.812 1
1 508 . 7 1 1 A 42 42 GLY H H 42 8.283 7.930 0.353 1
1 509 . 7 1 1 A 42 42 GLY HA2 H 42 3.857 3.702 0.155 1
1 510 . 7 1 1 A 42 42 GLY HA3 H 42 3.929 3.725 0.204 1
1 511 . 7 1 1 A 42 42 GLY C C 42 176.508 176.794 -0.286 1
1 512 . 7 1 1 A 42 42 GLY CA C 42 47.412 47.521 -0.109 1
1 513 . 7 1 1 A 42 42 GLY N N 42 108.413 107.115 1.298 1
1 514 . 7 1 1 A 43 43 GLY H H 43 8.181 8.296 -0.115 1
1 515 . 7 1 1 A 43 43 GLY HA2 H 43 4.124 3.817 0.307 1
1 516 . 7 1 1 A 43 43 GLY HA3 H 43 4.258 3.833 0.425 1
1 517 . 7 1 1 A 43 43 GLY C C 43 174.891 175.524 -0.633 1
1 518 . 7 1 1 A 43 43 GLY CA C 43 47.341 46.954 0.387 1
1 519 . 7 1 1 A 43 43 GLY N N 43 109.904 108.741 1.163 1
1 520 . 7 1 1 A 44 44 TRP H H 44 8.460 7.952 0.508 1
1 521 . 7 1 1 A 44 44 TRP HA H 44 3.578 4.152 -0.574 1
1 530 . 7 1 1 A 44 44 TRP C C 44 178.547 178.234 0.313 1
1 531 . 7 1 1 A 44 44 TRP CA C 44 62.646 59.824 2.822 1
1 532 . 7 1 1 A 44 44 TRP CB C 44 29.467 29.286 0.181 1
1 538 . 7 1 1 A 44 44 TRP N N 44 124.152 124.135 0.017 1
1 540 . 7 1 1 A 45 45 ARG H H 45 8.759 8.787 -0.028 1
1 541 . 7 1 1 A 45 45 ARG HA H 45 3.669 3.926 -0.257 1
1 549 . 7 1 1 A 45 45 ARG C C 45 178.784 178.529 0.255 1
1 550 . 7 1 1 A 45 45 ARG CA C 45 59.785 59.497 0.288 1
1 551 . 7 1 1 A 45 45 ARG CB C 45 30.295 30.000 0.295 1
1 554 . 7 1 1 A 45 45 ARG N N 45 118.655 118.182 0.473 1
1 556 . 7 1 1 A 46 46 ASP H H 46 8.084 7.903 0.181 1
1 557 . 7 1 1 A 46 46 ASP HA H 46 4.362 4.303 0.059 1
1 560 . 7 1 1 A 46 46 ASP C C 46 178.818 177.862 0.956 1
1 561 . 7 1 1 A 46 46 ASP CA C 46 57.518 57.266 0.252 1
1 562 . 7 1 1 A 46 46 ASP CB C 46 39.752 41.078 -1.326 1
1 563 . 7 1 1 A 46 46 ASP N N 46 120.646 118.674 1.972 1
1 564 . 7 1 1 A 47 47 ALA H H 47 7.873 7.815 0.058 1
1 565 . 7 1 1 A 47 47 ALA HA H 47 3.627 3.578 0.049 1
1 569 . 7 1 1 A 47 47 ALA C C 47 179.397 178.852 0.545 1
1 570 . 7 1 1 A 47 47 ALA CA C 47 54.962 54.742 0.220 1
1 571 . 7 1 1 A 47 47 ALA CB C 47 18.940 17.560 1.380 1
1 572 . 7 1 1 A 47 47 ALA N N 47 122.126 121.192 0.934 1
1 573 . 7 1 1 A 48 48 ARG H H 48 7.587 7.678 -0.091 1
1 574 . 7 1 1 A 48 48 ARG HA H 48 3.538 3.710 -0.172 1
1 582 . 7 1 1 A 48 48 ARG C C 48 178.647 177.759 0.888 1
1 583 . 7 1 1 A 48 48 ARG CA C 48 57.880 58.929 -1.049 1
1 584 . 7 1 1 A 48 48 ARG CB C 48 28.753 29.231 -0.478 1
1 587 . 7 1 1 A 48 48 ARG N N 48 117.721 118.180 -0.459 1
1 589 . 7 1 1 A 49 49 ASP H H 49 8.249 7.727 0.522 1
1 590 . 7 1 1 A 49 49 ASP HA H 49 4.383 4.331 0.052 1
1 593 . 7 1 1 A 49 49 ASP C C 49 178.360 178.489 -0.129 1
1 594 . 7 1 1 A 49 49 ASP CA C 49 56.330 56.304 0.026 1
1 595 . 7 1 1 A 49 49 ASP CB C 49 40.401 40.776 -0.375 1
1 596 . 7 1 1 A 49 49 ASP N N 49 119.997 119.071 0.926 1
1 597 . 7 1 1 A 50 50 GLU H H 50 8.060 7.560 0.500 1
1 598 . 7 1 1 A 50 50 GLU HA H 50 4.007 4.006 0.001 1
1 603 . 7 1 1 A 50 50 GLU C C 50 178.675 178.463 0.212 1
1 604 . 7 1 1 A 50 50 GLU CA C 50 58.740 58.803 -0.063 1
1 605 . 7 1 1 A 50 50 GLU CB C 50 29.585 29.325 0.260 1
1 607 . 7 1 1 A 50 50 GLU N N 50 121.823 118.859 2.964 1
1 608 . 7 1 1 A 51 51 LYS H H 51 8.089 7.508 0.581 1
1 609 . 7 1 1 A 51 51 LYS HA H 51 4.057 4.151 -0.094 1
1 618 . 7 1 1 A 51 51 LYS C C 51 178.241 178.792 -0.551 1
1 619 . 7 1 1 A 51 51 LYS CA C 51 57.727 57.772 -0.045 1
1 620 . 7 1 1 A 51 51 LYS CB C 51 32.090 32.454 -0.364 1
1 624 . 7 1 1 A 51 51 LYS N N 51 119.415 118.772 0.643 1
1 625 . 7 1 1 A 52 52 GLN H H 52 8.043 7.572 0.471 1
1 626 . 7 1 1 A 52 52 GLN HA H 52 4.189 4.072 0.117 1
1 633 . 7 1 1 A 52 52 GLN C C 52 176.965 177.347 -0.382 1
1 634 . 7 1 1 A 52 52 GLN CA C 52 56.977 58.188 -1.211 1
1 635 . 7 1 1 A 52 52 GLN CB C 52 28.858 28.395 0.463 1
1 637 . 7 1 1 A 52 52 GLN N N 52 118.262 120.417 -2.155 1
1 639 . 7 1 1 A 53 53 SER H H 53 8.088 7.693 0.395 1
1 640 . 7 1 1 A 53 53 SER HA H 53 4.339 4.718 -0.379 1
1 643 . 7 1 1 A 53 53 SER C C 53 175.679 175.505 0.174 1
1 644 . 7 1 1 A 53 53 SER CA C 53 59.492 58.682 0.810 1
1 645 . 7 1 1 A 53 53 SER CB C 53 63.849 63.788 0.061 1
1 646 . 7 1 1 A 53 53 SER N N 53 114.966 115.373 -0.407 1
1 647 . 7 1 1 A 54 54 GLY H H 54 8.228 8.381 -0.153 1
1 648 . 7 1 1 A 54 54 GLY HA2 H 54 3.939 3.980 -0.041 1
1 649 . 7 1 1 A 54 54 GLY HA3 H 54 3.867 4.041 -0.174 1
1 650 . 7 1 1 A 54 54 GLY C C 54 174.591 174.883 -0.292 1
1 651 . 7 1 1 A 54 54 GLY CA C 54 45.776 46.891 -1.115 1
1 652 . 7 1 1 A 54 54 GLY N N 54 110.315 109.810 0.505 1
1 653 . 7 1 1 A 55 55 LEU H H 55 7.846 7.863 -0.017 1
1 654 . 7 1 1 A 55 55 LEU HA H 55 4.174 4.523 -0.349 1
1 664 . 7 1 1 A 55 55 LEU C C 55 177.315 176.654 0.661 1
1 665 . 7 1 1 A 55 55 LEU CA C 55 55.716 53.624 2.092 1
1 666 . 7 1 1 A 55 55 LEU CB C 55 42.103 40.061 2.042 1
1 670 . 7 1 1 A 55 55 LEU N N 55 121.456 120.181 1.275 1
1 671 . 7 1 1 A 56 56 TYR H H 56 7.960 8.105 -0.145 1
1 672 . 7 1 1 A 56 56 TYR HA H 56 4.450 4.478 -0.028 1
1 679 . 7 1 1 A 56 56 TYR C C 56 176.206 175.823 0.383 1
1 680 . 7 1 1 A 56 56 TYR CA C 56 58.242 58.970 -0.728 1
1 681 . 7 1 1 A 56 56 TYR CB C 56 38.478 38.436 0.042 1
1 686 . 7 1 1 A 56 56 TYR N N 56 119.665 120.619 -0.954 1
1 687 . 7 1 1 A 57 57 LYS H H 57 8.015 7.688 0.327 1
1 688 . 7 1 1 A 57 57 LYS HA H 57 4.154 4.504 -0.350 1
1 697 . 7 1 1 A 57 57 LYS C C 57 176.553 175.733 0.820 1
1 698 . 7 1 1 A 57 57 LYS CA C 57 56.656 57.480 -0.824 1
1 699 . 7 1 1 A 57 57 LYS CB C 57 32.870 34.652 -1.782 1
1 703 . 7 1 1 A 57 57 LYS N N 57 122.012 119.286 2.726 1
1 704 . 7 1 1 A 58 58 LEU H H 58 8.035 7.577 0.458 1
1 705 . 7 1 1 A 58 58 LEU HA H 58 4.185 4.108 0.077 1
1 715 . 7 1 1 A 58 58 LEU C C 58 177.527 175.894 1.633 1
1 716 . 7 1 1 A 58 58 LEU CA C 58 55.574 54.832 0.742 1
1 717 . 7 1 1 A 58 58 LEU CB C 58 42.175 42.138 0.037 1
1 721 . 7 1 1 A 58 58 LEU N N 58 122.265 121.015 1.250 1
1 722 . 7 1 1 A 59 59 GLU H H 59 8.253 8.595 -0.342 1
1 723 . 7 1 1 A 59 59 GLU HA H 59 4.123 4.602 -0.479 1
1 728 . 7 1 1 A 59 59 GLU C C 59 176.231 175.773 0.458 1
1 729 . 7 1 1 A 59 59 GLU CA C 59 56.658 54.232 2.426 1
1 730 . 7 1 1 A 59 59 GLU CB C 59 30.246 32.124 -1.878 1
1 732 . 7 1 1 A 59 59 GLU N N 59 120.313 121.634 -1.321 1
1 7 . 8 1 1 A 2 2 LYS H H 2 8.138 8.009 0.129 1
1 8 . 8 1 1 A 2 2 LYS HA H 2 4.325 4.207 0.118 1
1 17 . 8 1 1 A 2 2 LYS C C 2 176.460 178.661 -2.201 1
1 18 . 8 1 1 A 2 2 LYS CA C 2 56.632 58.327 -1.695 1
1 19 . 8 1 1 A 2 2 LYS CB C 2 33.087 33.510 -0.423 1
1 23 . 8 1 1 A 2 2 LYS N N 2 125.275 117.665 7.610 1
1 24 . 8 1 1 A 3 3 ARG H H 3 8.624 8.215 0.409 1
1 25 . 8 1 1 A 3 3 ARG HA H 3 4.220 4.145 0.075 1
1 32 . 8 1 1 A 3 3 ARG C C 3 176.426 178.918 -2.492 1
1 33 . 8 1 1 A 3 3 ARG CA C 3 56.705 58.752 -2.047 1
1 34 . 8 1 1 A 3 3 ARG CB C 3 30.577 29.837 0.740 1
1 37 . 8 1 1 A 3 3 ARG N N 3 123.963 119.142 4.821 1
1 38 . 8 1 1 A 4 4 GLN H H 4 8.613 7.984 0.629 1
1 39 . 8 1 1 A 4 4 GLN HA H 4 4.221 4.079 0.142 1
1 46 . 8 1 1 A 4 4 GLN C C 4 176.604 178.598 -1.994 1
1 47 . 8 1 1 A 4 4 GLN CA C 4 56.626 58.511 -1.885 1
1 48 . 8 1 1 A 4 4 GLN CB C 4 29.536 28.130 1.406 1
1 50 . 8 1 1 A 4 4 GLN N N 4 121.223 117.881 3.342 1
1 52 . 8 1 1 A 5 5 LYS H H 5 8.180 8.056 0.124 1
1 53 . 8 1 1 A 5 5 LYS HA H 5 4.161 4.030 0.131 1
1 62 . 8 1 1 A 5 5 LYS C C 5 176.971 178.815 -1.844 1
1 63 . 8 1 1 A 5 5 LYS CA C 5 57.367 59.126 -1.759 1
1 64 . 8 1 1 A 5 5 LYS CB C 5 32.873 31.850 1.023 1
1 68 . 8 1 1 A 5 5 LYS N N 5 122.464 118.956 3.508 1
1 69 . 8 1 1 A 6 6 ARG H H 6 8.345 7.812 0.533 1
1 70 . 8 1 1 A 6 6 ARG HA H 6 4.119 3.989 0.130 1
1 77 . 8 1 1 A 6 6 ARG C C 6 176.908 177.849 -0.941 1
1 78 . 8 1 1 A 6 6 ARG CA C 6 57.246 58.823 -1.577 1
1 79 . 8 1 1 A 6 6 ARG CB C 6 30.166 29.939 0.227 1
1 82 . 8 1 1 A 6 6 ARG N N 6 121.458 119.862 1.596 1
1 83 . 8 1 1 A 7 7 ASP H H 7 8.422 7.915 0.507 1
1 84 . 8 1 1 A 7 7 ASP HA H 7 4.414 4.247 0.167 1
1 87 . 8 1 1 A 7 7 ASP C C 7 177.562 178.521 -0.959 1
1 88 . 8 1 1 A 7 7 ASP CA C 7 55.809 57.291 -1.482 1
1 89 . 8 1 1 A 7 7 ASP CB C 7 41.064 41.602 -0.538 1
1 90 . 8 1 1 A 7 7 ASP N N 7 120.954 119.753 1.201 1
1 91 . 8 1 1 A 8 8 ARG H H 8 8.061 7.574 0.487 1
1 92 . 8 1 1 A 8 8 ARG HA H 8 3.971 4.072 -0.101 1
1 99 . 8 1 1 A 8 8 ARG C C 8 178.412 178.020 0.392 1
1 100 . 8 1 1 A 8 8 ARG CA C 8 59.160 58.549 0.611 1
1 101 . 8 1 1 A 8 8 ARG CB C 8 30.192 29.907 0.285 1
1 104 . 8 1 1 A 8 8 ARG N N 8 119.853 119.474 0.379 1
1 105 . 8 1 1 A 9 9 LEU H H 9 7.801 7.485 0.316 1
1 106 . 8 1 1 A 9 9 LEU HA H 9 3.727 3.845 -0.118 1
1 116 . 8 1 1 A 9 9 LEU C C 9 178.182 178.752 -0.570 1
1 117 . 8 1 1 A 9 9 LEU CA C 9 57.192 56.166 1.026 1
1 118 . 8 1 1 A 9 9 LEU CB C 9 38.370 41.053 -2.683 1
1 122 . 8 1 1 A 9 9 LEU N N 9 121.052 119.165 1.887 1
1 123 . 8 1 1 A 10 10 GLU H H 10 8.172 8.600 -0.428 1
1 124 . 8 1 1 A 10 10 GLU HA H 10 4.014 4.077 -0.063 1
1 129 . 8 1 1 A 10 10 GLU C C 10 180.022 178.950 1.072 1
1 130 . 8 1 1 A 10 10 GLU CA C 10 59.504 59.543 -0.039 1
1 131 . 8 1 1 A 10 10 GLU CB C 10 29.451 29.134 0.317 1
1 133 . 8 1 1 A 10 10 GLU N N 10 120.463 119.394 1.069 1
1 134 . 8 1 1 A 11 11 ARG H H 11 8.202 7.539 0.663 1
1 135 . 8 1 1 A 11 11 ARG HA H 11 4.117 4.101 0.016 1
1 142 . 8 1 1 A 11 11 ARG C C 11 178.321 178.778 -0.457 1
1 143 . 8 1 1 A 11 11 ARG CA C 11 59.328 58.409 0.919 1
1 144 . 8 1 1 A 11 11 ARG CB C 11 29.798 30.436 -0.638 1
1 147 . 8 1 1 A 11 11 ARG N N 11 119.987 118.578 1.409 1
1 148 . 8 1 1 A 12 12 ALA H H 12 7.661 8.033 -0.372 1
1 149 . 8 1 1 A 12 12 ALA HA H 12 4.603 3.769 0.834 1
1 153 . 8 1 1 A 12 12 ALA C C 12 179.757 179.569 0.188 1
1 154 . 8 1 1 A 12 12 ALA CA C 12 55.536 54.871 0.665 1
1 155 . 8 1 1 A 12 12 ALA CB C 12 18.423 18.010 0.413 1
1 156 . 8 1 1 A 12 12 ALA N N 12 122.208 122.481 -0.273 1
1 157 . 8 1 1 A 13 13 GLN H H 13 8.205 8.153 0.052 1
1 158 . 8 1 1 A 13 13 GLN HA H 13 4.332 4.149 0.183 1
1 165 . 8 1 1 A 13 13 GLN C C 13 178.128 178.298 -0.170 1
1 166 . 8 1 1 A 13 13 GLN CA C 13 59.565 58.585 0.980 1
1 167 . 8 1 1 A 13 13 GLN CB C 13 29.572 28.931 0.641 1
1 169 . 8 1 1 A 13 13 GLN N N 13 118.449 119.612 -1.163 1
1 171 . 8 1 1 A 14 14 SER H H 14 8.245 8.271 -0.026 1
1 172 . 8 1 1 A 14 14 SER HA H 14 4.281 4.153 0.128 1
1 175 . 8 1 1 A 14 14 SER C C 14 177.751 176.107 1.644 1
1 176 . 8 1 1 A 14 14 SER CA C 14 61.583 61.660 -0.077 1
1 177 . 8 1 1 A 14 14 SER CB C 14 62.897 62.930 -0.033 1
1 178 . 8 1 1 A 14 14 SER N N 14 115.275 117.317 -2.042 1
1 179 . 8 1 1 A 15 15 GLN H H 15 8.686 8.518 0.168 1
1 180 . 8 1 1 A 15 15 GLN HA H 15 4.124 4.083 0.041 1
1 187 . 8 1 1 A 15 15 GLN C C 15 179.621 178.415 1.206 1
1 188 . 8 1 1 A 15 15 GLN CA C 15 58.803 59.389 -0.586 1
1 189 . 8 1 1 A 15 15 GLN CB C 15 28.201 28.326 -0.125 1
1 191 . 8 1 1 A 15 15 GLN N N 15 121.722 121.258 0.464 1
1 193 . 8 1 1 A 16 16 GLY H H 16 8.439 8.459 -0.020 1
1 194 . 8 1 1 A 16 16 GLY HA2 H 16 1.849 2.513 -0.664 1
1 195 . 8 1 1 A 16 16 GLY HA3 H 16 3.742 3.064 0.678 1
1 196 . 8 1 1 A 16 16 GLY C C 16 175.080 175.078 0.002 1
1 197 . 8 1 1 A 16 16 GLY CA C 16 45.784 46.538 -0.754 1
1 198 . 8 1 1 A 16 16 GLY N N 16 113.363 106.840 6.523 1
1 199 . 8 1 1 A 17 17 TYR H H 17 8.167 8.113 0.054 1
1 200 . 8 1 1 A 17 17 TYR HA H 17 4.014 3.935 0.079 1
1 207 . 8 1 1 A 17 17 TYR C C 17 177.200 177.539 -0.339 1
1 208 . 8 1 1 A 17 17 TYR CA C 17 60.567 60.822 -0.255 1
1 209 . 8 1 1 A 17 17 TYR CB C 17 38.755 38.729 0.026 1
1 214 . 8 1 1 A 17 17 TYR N N 17 123.123 123.501 -0.378 1
1 215 . 8 1 1 A 18 18 LYS H H 18 8.003 7.997 0.006 1
1 216 . 8 1 1 A 18 18 LYS HA H 18 3.681 4.124 -0.443 1
1 225 . 8 1 1 A 18 18 LYS C C 18 178.838 178.841 -0.003 1
1 226 . 8 1 1 A 18 18 LYS CA C 18 59.677 58.879 0.798 1
1 227 . 8 1 1 A 18 18 LYS CB C 18 32.393 32.182 0.211 1
1 231 . 8 1 1 A 18 18 LYS N N 18 117.920 119.652 -1.732 1
1 232 . 8 1 1 A 19 19 ALA H H 19 8.067 8.246 -0.179 1
1 233 . 8 1 1 A 19 19 ALA HA H 19 4.194 4.299 -0.105 1
1 237 . 8 1 1 A 19 19 ALA C C 19 180.263 179.852 0.411 1
1 238 . 8 1 1 A 19 19 ALA CA C 19 55.349 54.513 0.836 1
1 239 . 8 1 1 A 19 19 ALA CB C 19 19.039 18.487 0.552 1
1 240 . 8 1 1 A 19 19 ALA N N 19 120.778 121.480 -0.702 1
1 241 . 8 1 1 A 20 20 GLY H H 20 8.527 8.191 0.336 1
1 242 . 8 1 1 A 20 20 GLY HA2 H 20 3.101 3.198 -0.097 1
1 243 . 8 1 1 A 20 20 GLY HA3 H 20 3.303 3.333 -0.030 1
1 244 . 8 1 1 A 20 20 GLY C C 20 177.818 175.571 2.247 1
1 245 . 8 1 1 A 20 20 GLY CA C 20 47.102 46.937 0.165 1
1 246 . 8 1 1 A 20 20 GLY N N 20 107.003 107.349 -0.346 1
1 247 . 8 1 1 A 21 21 LEU H H 21 8.310 7.870 0.440 1
1 248 . 8 1 1 A 21 21 LEU HA H 21 3.696 4.129 -0.433 1
1 258 . 8 1 1 A 21 21 LEU C C 21 178.603 178.020 0.583 1
1 259 . 8 1 1 A 21 21 LEU CA C 21 57.417 57.248 0.169 1
1 260 . 8 1 1 A 21 21 LEU CB C 21 41.798 42.810 -1.012 1
1 264 . 8 1 1 A 21 21 LEU N N 21 124.762 122.274 2.488 1
1 265 . 8 1 1 A 22 22 ASN H H 22 7.628 8.690 -1.062 1
1 266 . 8 1 1 A 22 22 ASN HA H 22 4.701 4.763 -0.062 1
1 271 . 8 1 1 A 22 22 ASN C C 22 175.456 178.308 -2.852 1
1 272 . 8 1 1 A 22 22 ASN CA C 22 53.292 55.189 -1.897 1
1 273 . 8 1 1 A 22 22 ASN CB C 22 39.188 38.640 0.548 1
1 274 . 8 1 1 A 22 22 ASN N N 22 114.867 114.809 0.058 1
1 276 . 8 1 1 A 23 23 GLY H H 23 7.586 8.335 -0.749 1
1 277 . 8 1 1 A 23 23 GLY HA2 H 23 3.810 3.934 -0.124 1
1 278 . 8 1 1 A 23 23 GLY HA3 H 23 4.102 4.008 0.094 1
1 279 . 8 1 1 A 23 23 GLY C C 23 175.226 174.902 0.324 1
1 280 . 8 1 1 A 23 23 GLY CA C 23 46.302 46.506 -0.204 1
1 281 . 8 1 1 A 23 23 GLY N N 23 106.650 109.178 -2.528 1
1 282 . 8 1 1 A 24 24 ARG H H 24 8.156 7.989 0.167 1
1 283 . 8 1 1 A 24 24 ARG HA H 24 4.508 4.274 0.234 1
1 290 . 8 1 1 A 24 24 ARG C C 24 177.405 175.583 1.822 1
1 291 . 8 1 1 A 24 24 ARG CA C 24 55.103 58.355 -3.252 1
1 292 . 8 1 1 A 24 24 ARG CB C 24 30.537 30.137 0.400 1
1 295 . 8 1 1 A 24 24 ARG N N 24 118.161 120.152 -1.991 1
1 296 . 8 1 1 A 25 25 SER H H 25 9.015 8.692 0.323 1
1 297 . 8 1 1 A 25 25 SER HA H 25 4.804 5.067 -0.263 1
1 300 . 8 1 1 A 25 25 SER C C 25 175.005 174.216 0.789 1
1 301 . 8 1 1 A 25 25 SER CA C 25 57.752 57.283 0.469 1
1 302 . 8 1 1 A 25 25 SER CB C 25 64.687 65.913 -1.226 1
1 303 . 8 1 1 A 25 25 SER N N 25 119.720 113.662 6.058 1
1 304 . 8 1 1 A 26 26 GLN H H 26 8.662 8.304 0.358 1
1 305 . 8 1 1 A 26 26 GLN HA H 26 3.162 4.250 -1.088 1
1 312 . 8 1 1 A 26 26 GLN C C 26 177.736 176.547 1.189 1
1 313 . 8 1 1 A 26 26 GLN CA C 26 58.643 57.020 1.623 1
1 314 . 8 1 1 A 26 26 GLN CB C 26 27.352 28.215 -0.863 1
1 316 . 8 1 1 A 26 26 GLN N N 26 120.247 123.130 -2.883 1
1 318 . 8 1 1 A 27 27 GLU H H 27 8.244 8.131 0.113 1
1 319 . 8 1 1 A 27 27 GLU HA H 27 3.886 4.205 -0.319 1
1 324 . 8 1 1 A 27 27 GLU C C 27 176.177 177.512 -1.335 1
1 325 . 8 1 1 A 27 27 GLU CA C 27 57.807 57.492 0.315 1
1 326 . 8 1 1 A 27 27 GLU CB C 27 28.583 29.580 -0.997 1
1 328 . 8 1 1 A 27 27 GLU N N 27 117.869 119.514 -1.645 1
1 329 . 8 1 1 A 28 28 ALA H H 28 7.451 7.995 -0.544 1
1 330 . 8 1 1 A 28 28 ALA HA H 28 4.070 4.457 -0.387 1
1 334 . 8 1 1 A 28 28 ALA C C 28 176.063 176.091 -0.028 1
1 335 . 8 1 1 A 28 28 ALA CA C 28 51.945 51.303 0.642 1
1 336 . 8 1 1 A 28 28 ALA CB C 28 18.113 19.525 -1.412 1
1 337 . 8 1 1 A 28 28 ALA N N 28 120.356 122.056 -1.700 1
1 338 . 8 1 1 A 29 29 CYS H H 29 6.591 7.170 -0.579 1
1 339 . 8 1 1 A 29 29 CYS HA H 29 1.828 3.580 -1.752 1
1 342 . 8 1 1 A 29 29 CYS CA C 29 56.231 54.977 1.254 1
1 343 . 8 1 1 A 29 29 CYS CB C 29 27.778 27.245 0.533 1
1 344 . 8 1 1 A 29 29 CYS N N 29 121.588 118.993 2.595 1
1 345 . 8 1 1 A 30 30 PRO HA H 30 4.323 4.354 -0.031 1
1 352 . 8 1 1 A 30 30 PRO C C 30 175.515 176.517 -1.002 1
1 353 . 8 1 1 A 30 30 PRO CA C 30 63.382 63.381 0.001 1
1 354 . 8 1 1 A 30 30 PRO CB C 30 31.551 32.786 -1.235 1
1 357 . 8 1 1 A 31 31 TYR H H 31 6.804 8.064 -1.260 1
1 358 . 8 1 1 A 31 31 TYR HA H 31 4.582 4.280 0.302 1
1 365 . 8 1 1 A 31 31 TYR C C 31 174.785 175.778 -0.993 1
1 366 . 8 1 1 A 31 31 TYR CA C 31 58.348 60.706 -2.358 1
1 367 . 8 1 1 A 31 31 TYR CB C 31 41.030 38.828 2.202 1
1 372 . 8 1 1 A 31 31 TYR N N 31 118.903 119.441 -0.538 1
1 373 . 8 1 1 A 32 32 GLN H H 32 8.763 7.834 0.929 1
1 374 . 8 1 1 A 32 32 GLN HA H 32 4.344 4.669 -0.325 1
1 381 . 8 1 1 A 32 32 GLN C C 32 176.528 174.543 1.985 1
1 382 . 8 1 1 A 32 32 GLN CA C 32 55.996 54.790 1.206 1
1 383 . 8 1 1 A 32 32 GLN CB C 32 30.182 31.980 -1.798 1
1 385 . 8 1 1 A 32 32 GLN N N 32 120.327 115.047 5.280 1
1 387 . 8 1 1 A 33 33 GLN H H 33 8.230 8.730 -0.500 1
1 388 . 8 1 1 A 33 33 GLN HA H 33 4.262 4.416 -0.154 1
1 395 . 8 1 1 A 33 33 GLN C C 33 177.216 177.632 -0.416 1
1 396 . 8 1 1 A 33 33 GLN CA C 33 56.931 57.593 -0.662 1
1 397 . 8 1 1 A 33 33 GLN CB C 33 28.699 29.317 -0.618 1
1 399 . 8 1 1 A 33 33 GLN N N 33 121.712 121.582 0.130 1
1 401 . 8 1 1 A 34 34 VAL H H 34 8.484 8.042 0.442 1
1 402 . 8 1 1 A 34 34 VAL HA H 34 3.551 3.544 0.007 1
1 410 . 8 1 1 A 34 34 VAL C C 34 177.685 177.865 -0.180 1
1 411 . 8 1 1 A 34 34 VAL CA C 34 66.570 66.231 0.339 1
1 412 . 8 1 1 A 34 34 VAL CB C 34 31.946 31.631 0.315 1
1 415 . 8 1 1 A 34 34 VAL N N 34 122.145 120.051 2.094 1
1 416 . 8 1 1 A 35 35 ASP H H 35 8.324 8.369 -0.045 1
1 417 . 8 1 1 A 35 35 ASP HA H 35 4.434 4.474 -0.040 1
1 420 . 8 1 1 A 35 35 ASP C C 35 177.892 178.707 -0.815 1
1 421 . 8 1 1 A 35 35 ASP CA C 35 56.826 57.457 -0.631 1
1 422 . 8 1 1 A 35 35 ASP CB C 35 38.807 40.289 -1.482 1
1 423 . 8 1 1 A 35 35 ASP N N 35 120.937 119.742 1.195 1
1 424 . 8 1 1 A 36 36 ALA H H 36 8.431 8.258 0.173 1
1 425 . 8 1 1 A 36 36 ALA HA H 36 3.598 4.184 -0.586 1
1 429 . 8 1 1 A 36 36 ALA C C 36 178.949 179.543 -0.594 1
1 430 . 8 1 1 A 36 36 ALA CA C 36 55.327 55.145 0.182 1
1 431 . 8 1 1 A 36 36 ALA CB C 36 17.371 18.288 -0.917 1
1 432 . 8 1 1 A 36 36 ALA N N 36 126.210 122.758 3.452 1
1 433 . 8 1 1 A 37 37 ARG H H 37 8.458 8.068 0.390 1
1 434 . 8 1 1 A 37 37 ARG HA H 37 3.857 4.169 -0.312 1
1 442 . 8 1 1 A 37 37 ARG C C 37 177.746 178.295 -0.549 1
1 443 . 8 1 1 A 37 37 ARG CA C 37 60.636 59.705 0.931 1
1 444 . 8 1 1 A 37 37 ARG CB C 37 29.931 29.899 0.032 1
1 447 . 8 1 1 A 37 37 ARG N N 37 116.717 119.580 -2.863 1
1 449 . 8 1 1 A 38 38 SER H H 38 8.173 7.724 0.449 1
1 450 . 8 1 1 A 38 38 SER HA H 38 4.130 4.262 -0.132 1
1 451 . 8 1 1 A 38 38 SER C C 38 178.293 176.127 2.166 1
1 452 . 8 1 1 A 38 38 SER CA C 38 62.627 60.979 1.648 1
1 453 . 8 1 1 A 38 38 SER N N 38 114.110 114.102 0.008 1
1 454 . 8 1 1 A 39 39 TYR H H 39 8.343 7.526 0.817 1
1 455 . 8 1 1 A 39 39 TYR HA H 39 4.213 4.479 -0.266 1
1 462 . 8 1 1 A 39 39 TYR C C 39 178.701 178.612 0.089 1
1 463 . 8 1 1 A 39 39 TYR CA C 39 62.466 60.363 2.103 1
1 464 . 8 1 1 A 39 39 TYR CB C 39 38.687 39.273 -0.586 1
1 469 . 8 1 1 A 39 39 TYR N N 39 123.318 119.310 4.008 1
1 470 . 8 1 1 A 40 40 TRP H H 40 8.818 8.363 0.455 1
1 471 . 8 1 1 A 40 40 TRP HA H 40 4.586 4.580 0.006 1
1 480 . 8 1 1 A 40 40 TRP C C 40 179.359 178.062 1.297 1
1 481 . 8 1 1 A 40 40 TRP CA C 40 61.953 60.483 1.470 1
1 482 . 8 1 1 A 40 40 TRP CB C 40 31.349 29.825 1.524 1
1 488 . 8 1 1 A 40 40 TRP N N 40 123.286 120.874 2.412 1
1 490 . 8 1 1 A 41 41 LEU H H 41 9.368 8.323 1.045 1
1 491 . 8 1 1 A 41 41 LEU HA H 41 4.405 4.360 0.045 1
1 501 . 8 1 1 A 41 41 LEU C C 41 179.498 178.949 0.549 1
1 502 . 8 1 1 A 41 41 LEU CA C 41 58.206 57.984 0.222 1
1 503 . 8 1 1 A 41 41 LEU CB C 41 41.754 42.401 -0.647 1
1 507 . 8 1 1 A 41 41 LEU N N 41 119.265 121.251 -1.986 1
1 508 . 8 1 1 A 42 42 GLY H H 42 8.283 8.450 -0.167 1
1 509 . 8 1 1 A 42 42 GLY HA2 H 42 3.857 3.843 0.014 1
1 510 . 8 1 1 A 42 42 GLY HA3 H 42 3.929 3.871 0.058 1
1 511 . 8 1 1 A 42 42 GLY C C 42 176.508 176.836 -0.328 1
1 512 . 8 1 1 A 42 42 GLY CA C 42 47.412 47.543 -0.131 1
1 513 . 8 1 1 A 42 42 GLY N N 42 108.413 106.863 1.550 1
1 514 . 8 1 1 A 43 43 GLY H H 43 8.181 8.544 -0.363 1
1 515 . 8 1 1 A 43 43 GLY HA2 H 43 4.124 3.822 0.302 1
1 516 . 8 1 1 A 43 43 GLY HA3 H 43 4.258 3.862 0.396 1
1 517 . 8 1 1 A 43 43 GLY C C 43 174.891 175.637 -0.746 1
1 518 . 8 1 1 A 43 43 GLY CA C 43 47.341 47.173 0.168 1
1 519 . 8 1 1 A 43 43 GLY N N 43 109.904 108.660 1.244 1
1 520 . 8 1 1 A 44 44 TRP H H 44 8.460 8.089 0.371 1
1 521 . 8 1 1 A 44 44 TRP HA H 44 3.578 4.030 -0.452 1
1 530 . 8 1 1 A 44 44 TRP C C 44 178.547 178.337 0.210 1
1 531 . 8 1 1 A 44 44 TRP CA C 44 62.646 60.066 2.580 1
1 532 . 8 1 1 A 44 44 TRP CB C 44 29.467 29.438 0.029 1
1 538 . 8 1 1 A 44 44 TRP N N 44 124.152 124.168 -0.016 1
1 540 . 8 1 1 A 45 45 ARG H H 45 8.759 8.619 0.140 1
1 541 . 8 1 1 A 45 45 ARG HA H 45 3.669 3.817 -0.148 1
1 549 . 8 1 1 A 45 45 ARG C C 45 178.784 178.474 0.310 1
1 550 . 8 1 1 A 45 45 ARG CA C 45 59.785 59.343 0.442 1
1 551 . 8 1 1 A 45 45 ARG CB C 45 30.295 29.898 0.397 1
1 554 . 8 1 1 A 45 45 ARG N N 45 118.655 118.171 0.484 1
1 556 . 8 1 1 A 46 46 ASP H H 46 8.084 8.276 -0.192 1
1 557 . 8 1 1 A 46 46 ASP HA H 46 4.362 4.276 0.086 1
1 560 . 8 1 1 A 46 46 ASP C C 46 178.818 177.916 0.902 1
1 561 . 8 1 1 A 46 46 ASP CA C 46 57.518 57.758 -0.240 1
1 562 . 8 1 1 A 46 46 ASP CB C 46 39.752 41.534 -1.782 1
1 563 . 8 1 1 A 46 46 ASP N N 46 120.646 119.194 1.452 1
1 564 . 8 1 1 A 47 47 ALA H H 47 7.873 7.918 -0.045 1
1 565 . 8 1 1 A 47 47 ALA HA H 47 3.627 3.386 0.241 1
1 569 . 8 1 1 A 47 47 ALA C C 47 179.397 178.659 0.738 1
1 570 . 8 1 1 A 47 47 ALA CA C 47 54.962 54.756 0.206 1
1 571 . 8 1 1 A 47 47 ALA CB C 47 18.940 17.036 1.904 1
1 572 . 8 1 1 A 47 47 ALA N N 47 122.126 121.483 0.643 1
1 573 . 8 1 1 A 48 48 ARG H H 48 7.587 7.870 -0.283 1
1 574 . 8 1 1 A 48 48 ARG HA H 48 3.538 3.686 -0.148 1
1 582 . 8 1 1 A 48 48 ARG C C 48 178.647 177.808 0.839 1
1 583 . 8 1 1 A 48 48 ARG CA C 48 57.880 59.023 -1.143 1
1 584 . 8 1 1 A 48 48 ARG CB C 48 28.753 29.438 -0.685 1
1 587 . 8 1 1 A 48 48 ARG N N 48 117.721 118.049 -0.328 1
1 589 . 8 1 1 A 49 49 ASP H H 49 8.249 8.154 0.095 1
1 590 . 8 1 1 A 49 49 ASP HA H 49 4.383 4.353 0.030 1
1 593 . 8 1 1 A 49 49 ASP C C 49 178.360 178.388 -0.028 1
1 594 . 8 1 1 A 49 49 ASP CA C 49 56.330 56.008 0.322 1
1 595 . 8 1 1 A 49 49 ASP CB C 49 40.401 40.675 -0.274 1
1 596 . 8 1 1 A 49 49 ASP N N 49 119.997 118.956 1.041 1
1 597 . 8 1 1 A 50 50 GLU H H 50 8.060 7.574 0.486 1
1 598 . 8 1 1 A 50 50 GLU HA H 50 4.007 4.073 -0.066 1
1 603 . 8 1 1 A 50 50 GLU C C 50 178.675 178.415 0.260 1
1 604 . 8 1 1 A 50 50 GLU CA C 50 58.740 58.752 -0.012 1
1 605 . 8 1 1 A 50 50 GLU CB C 50 29.585 29.637 -0.052 1
1 607 . 8 1 1 A 50 50 GLU N N 50 121.823 119.173 2.650 1
1 608 . 8 1 1 A 51 51 LYS H H 51 8.089 7.702 0.387 1
1 609 . 8 1 1 A 51 51 LYS HA H 51 4.057 4.125 -0.068 1
1 618 . 8 1 1 A 51 51 LYS C C 51 178.241 178.342 -0.101 1
1 619 . 8 1 1 A 51 51 LYS CA C 51 57.727 58.344 -0.617 1
1 620 . 8 1 1 A 51 51 LYS CB C 51 32.090 32.552 -0.462 1
1 624 . 8 1 1 A 51 51 LYS N N 51 119.415 119.313 0.102 1
1 625 . 8 1 1 A 52 52 GLN H H 52 8.043 7.641 0.402 1
1 626 . 8 1 1 A 52 52 GLN HA H 52 4.189 4.145 0.044 1
1 633 . 8 1 1 A 52 52 GLN C C 52 176.965 177.942 -0.977 1
1 634 . 8 1 1 A 52 52 GLN CA C 52 56.977 58.112 -1.135 1
1 635 . 8 1 1 A 52 52 GLN CB C 52 28.858 29.202 -0.344 1
1 637 . 8 1 1 A 52 52 GLN N N 52 118.262 119.373 -1.111 1
1 639 . 8 1 1 A 53 53 SER H H 53 8.088 8.326 -0.238 1
1 640 . 8 1 1 A 53 53 SER HA H 53 4.339 4.473 -0.134 1
1 643 . 8 1 1 A 53 53 SER C C 53 175.679 175.826 -0.147 1
1 644 . 8 1 1 A 53 53 SER CA C 53 59.492 59.280 0.212 1
1 645 . 8 1 1 A 53 53 SER CB C 53 63.849 63.678 0.171 1
1 646 . 8 1 1 A 53 53 SER N N 53 114.966 114.544 0.422 1
1 647 . 8 1 1 A 54 54 GLY H H 54 8.228 8.337 -0.109 1
1 648 . 8 1 1 A 54 54 GLY HA2 H 54 3.939 3.937 0.002 1
1 649 . 8 1 1 A 54 54 GLY HA3 H 54 3.867 3.954 -0.087 1
1 650 . 8 1 1 A 54 54 GLY C C 54 174.591 174.600 -0.009 1
1 651 . 8 1 1 A 54 54 GLY CA C 54 45.776 45.899 -0.123 1
1 652 . 8 1 1 A 54 54 GLY N N 54 110.315 109.512 0.803 1
1 653 . 8 1 1 A 55 55 LEU H H 55 7.846 7.438 0.408 1
1 654 . 8 1 1 A 55 55 LEU HA H 55 4.174 4.432 -0.258 1
1 664 . 8 1 1 A 55 55 LEU C C 55 177.315 176.353 0.962 1
1 665 . 8 1 1 A 55 55 LEU CA C 55 55.716 54.617 1.099 1
1 666 . 8 1 1 A 55 55 LEU CB C 55 42.103 42.081 0.022 1
1 670 . 8 1 1 A 55 55 LEU N N 55 121.456 119.475 1.981 1
1 671 . 8 1 1 A 56 56 TYR H H 56 7.960 7.739 0.221 1
1 672 . 8 1 1 A 56 56 TYR HA H 56 4.450 4.150 0.300 1
1 679 . 8 1 1 A 56 56 TYR C C 56 176.206 175.874 0.332 1
1 680 . 8 1 1 A 56 56 TYR CA C 56 58.242 58.962 -0.720 1
1 681 . 8 1 1 A 56 56 TYR CB C 56 38.478 37.853 0.625 1
1 686 . 8 1 1 A 56 56 TYR N N 56 119.665 117.820 1.845 1
1 687 . 8 1 1 A 57 57 LYS H H 57 8.015 8.055 -0.040 1
1 688 . 8 1 1 A 57 57 LYS HA H 57 4.154 4.227 -0.073 1
1 697 . 8 1 1 A 57 57 LYS C C 57 176.553 177.536 -0.983 1
1 698 . 8 1 1 A 57 57 LYS CA C 57 56.656 57.759 -1.103 1
1 699 . 8 1 1 A 57 57 LYS CB C 57 32.870 32.043 0.827 1
1 703 . 8 1 1 A 57 57 LYS N N 57 122.012 119.660 2.352 1
1 704 . 8 1 1 A 58 58 LEU H H 58 8.035 7.777 0.258 1
1 705 . 8 1 1 A 58 58 LEU HA H 58 4.185 4.125 0.060 1
1 715 . 8 1 1 A 58 58 LEU C C 58 177.527 177.202 0.325 1
1 716 . 8 1 1 A 58 58 LEU CA C 58 55.574 56.461 -0.887 1
1 717 . 8 1 1 A 58 58 LEU CB C 58 42.175 42.198 -0.023 1
1 721 . 8 1 1 A 58 58 LEU N N 58 122.265 117.129 5.136 1
1 722 . 8 1 1 A 59 59 GLU H H 59 8.253 7.699 0.554 1
1 723 . 8 1 1 A 59 59 GLU HA H 59 4.123 3.730 0.393 1
1 728 . 8 1 1 A 59 59 GLU C C 59 176.231 175.078 1.153 1
1 729 . 8 1 1 A 59 59 GLU CA C 59 56.658 58.081 -1.423 1
1 730 . 8 1 1 A 59 59 GLU CB C 59 30.246 27.926 2.320 1
1 732 . 8 1 1 A 59 59 GLU N N 59 120.313 117.276 3.037 1
1 7 . 9 1 1 A 2 2 LYS H H 2 8.138 8.097 0.041 1
1 8 . 9 1 1 A 2 2 LYS HA H 2 4.325 4.630 -0.305 1
1 17 . 9 1 1 A 2 2 LYS C C 2 176.460 176.363 0.097 1
1 18 . 9 1 1 A 2 2 LYS CA C 2 56.632 57.811 -1.179 1
1 19 . 9 1 1 A 2 2 LYS CB C 2 33.087 34.232 -1.145 1
1 23 . 9 1 1 A 2 2 LYS N N 2 125.275 116.782 8.493 1
1 24 . 9 1 1 A 3 3 ARG H H 3 8.624 8.184 0.440 1
1 25 . 9 1 1 A 3 3 ARG HA H 3 4.220 4.152 0.068 1
1 32 . 9 1 1 A 3 3 ARG C C 3 176.426 175.708 0.718 1
1 33 . 9 1 1 A 3 3 ARG CA C 3 56.705 58.168 -1.463 1
1 34 . 9 1 1 A 3 3 ARG CB C 3 30.577 30.234 0.343 1
1 37 . 9 1 1 A 3 3 ARG N N 3 123.963 119.905 4.058 1
1 38 . 9 1 1 A 4 4 GLN H H 4 8.613 8.466 0.147 1
1 39 . 9 1 1 A 4 4 GLN HA H 4 4.221 5.125 -0.904 1
1 46 . 9 1 1 A 4 4 GLN C C 4 176.604 176.184 0.420 1
1 47 . 9 1 1 A 4 4 GLN CA C 4 56.626 55.073 1.553 1
1 48 . 9 1 1 A 4 4 GLN CB C 4 29.536 30.600 -1.064 1
1 50 . 9 1 1 A 4 4 GLN N N 4 121.223 117.844 3.379 1
1 52 . 9 1 1 A 5 5 LYS H H 5 8.180 8.050 0.130 1
1 53 . 9 1 1 A 5 5 LYS HA H 5 4.161 3.923 0.238 1
1 62 . 9 1 1 A 5 5 LYS C C 5 176.971 178.678 -1.707 1
1 63 . 9 1 1 A 5 5 LYS CA C 5 57.367 59.621 -2.254 1
1 64 . 9 1 1 A 5 5 LYS CB C 5 32.873 32.316 0.557 1
1 68 . 9 1 1 A 5 5 LYS N N 5 122.464 120.767 1.697 1
1 69 . 9 1 1 A 6 6 ARG H H 6 8.345 8.117 0.228 1
1 70 . 9 1 1 A 6 6 ARG HA H 6 4.119 3.816 0.303 1
1 77 . 9 1 1 A 6 6 ARG C C 6 176.908 178.200 -1.292 1
1 78 . 9 1 1 A 6 6 ARG CA C 6 57.246 58.892 -1.646 1
1 79 . 9 1 1 A 6 6 ARG CB C 6 30.166 29.865 0.301 1
1 82 . 9 1 1 A 6 6 ARG N N 6 121.458 119.607 1.851 1
1 83 . 9 1 1 A 7 7 ASP H H 7 8.422 8.266 0.156 1
1 84 . 9 1 1 A 7 7 ASP HA H 7 4.414 4.271 0.143 1
1 87 . 9 1 1 A 7 7 ASP C C 7 177.562 178.608 -1.046 1
1 88 . 9 1 1 A 7 7 ASP CA C 7 55.809 57.355 -1.546 1
1 89 . 9 1 1 A 7 7 ASP CB C 7 41.064 40.520 0.544 1
1 90 . 9 1 1 A 7 7 ASP N N 7 120.954 118.965 1.989 1
1 91 . 9 1 1 A 8 8 ARG H H 8 8.061 7.906 0.155 1
1 92 . 9 1 1 A 8 8 ARG HA H 8 3.971 4.069 -0.098 1
1 99 . 9 1 1 A 8 8 ARG C C 8 178.412 178.316 0.096 1
1 100 . 9 1 1 A 8 8 ARG CA C 8 59.160 58.742 0.418 1
1 101 . 9 1 1 A 8 8 ARG CB C 8 30.192 29.718 0.474 1
1 104 . 9 1 1 A 8 8 ARG N N 8 119.853 118.189 1.664 1
1 105 . 9 1 1 A 9 9 LEU H H 9 7.801 8.013 -0.212 1
1 106 . 9 1 1 A 9 9 LEU HA H 9 3.727 3.875 -0.148 1
1 116 . 9 1 1 A 9 9 LEU C C 9 178.182 178.838 -0.656 1
1 117 . 9 1 1 A 9 9 LEU CA C 9 57.192 57.505 -0.313 1
1 118 . 9 1 1 A 9 9 LEU CB C 9 38.370 40.804 -2.434 1
1 122 . 9 1 1 A 9 9 LEU N N 9 121.052 121.038 0.014 1
1 123 . 9 1 1 A 10 10 GLU H H 10 8.172 8.624 -0.452 1
1 124 . 9 1 1 A 10 10 GLU HA H 10 4.014 3.818 0.196 1
1 129 . 9 1 1 A 10 10 GLU C C 10 180.022 179.148 0.874 1
1 130 . 9 1 1 A 10 10 GLU CA C 10 59.504 59.755 -0.251 1
1 131 . 9 1 1 A 10 10 GLU CB C 10 29.451 28.918 0.533 1
1 133 . 9 1 1 A 10 10 GLU N N 10 120.463 119.862 0.601 1
1 134 . 9 1 1 A 11 11 ARG H H 11 8.202 7.699 0.503 1
1 135 . 9 1 1 A 11 11 ARG HA H 11 4.117 4.007 0.110 1
1 142 . 9 1 1 A 11 11 ARG C C 11 178.321 179.162 -0.841 1
1 143 . 9 1 1 A 11 11 ARG CA C 11 59.328 58.956 0.372 1
1 144 . 9 1 1 A 11 11 ARG CB C 11 29.798 30.077 -0.279 1
1 147 . 9 1 1 A 11 11 ARG N N 11 119.987 119.953 0.034 1
1 148 . 9 1 1 A 12 12 ALA H H 12 7.661 8.425 -0.764 1
1 149 . 9 1 1 A 12 12 ALA HA H 12 4.603 3.770 0.833 1
1 153 . 9 1 1 A 12 12 ALA C C 12 179.757 179.706 0.051 1
1 154 . 9 1 1 A 12 12 ALA CA C 12 55.536 54.840 0.696 1
1 155 . 9 1 1 A 12 12 ALA CB C 12 18.423 18.058 0.365 1
1 156 . 9 1 1 A 12 12 ALA N N 12 122.208 121.650 0.558 1
1 157 . 9 1 1 A 13 13 GLN H H 13 8.205 8.126 0.079 1
1 158 . 9 1 1 A 13 13 GLN HA H 13 4.332 4.253 0.079 1
1 165 . 9 1 1 A 13 13 GLN C C 13 178.128 178.250 -0.122 1
1 166 . 9 1 1 A 13 13 GLN CA C 13 59.565 58.858 0.707 1
1 167 . 9 1 1 A 13 13 GLN CB C 13 29.572 28.899 0.673 1
1 169 . 9 1 1 A 13 13 GLN N N 13 118.449 119.599 -1.150 1
1 171 . 9 1 1 A 14 14 SER H H 14 8.245 7.969 0.276 1
1 172 . 9 1 1 A 14 14 SER HA H 14 4.281 4.184 0.097 1
1 175 . 9 1 1 A 14 14 SER C C 14 177.751 176.032 1.719 1
1 176 . 9 1 1 A 14 14 SER CA C 14 61.583 61.443 0.140 1
1 177 . 9 1 1 A 14 14 SER CB C 14 62.897 63.105 -0.208 1
1 178 . 9 1 1 A 14 14 SER N N 14 115.275 117.570 -2.295 1
1 179 . 9 1 1 A 15 15 GLN H H 15 8.686 8.705 -0.019 1
1 180 . 9 1 1 A 15 15 GLN HA H 15 4.124 4.085 0.039 1
1 187 . 9 1 1 A 15 15 GLN C C 15 179.621 178.414 1.207 1
1 188 . 9 1 1 A 15 15 GLN CA C 15 58.803 59.205 -0.402 1
1 189 . 9 1 1 A 15 15 GLN CB C 15 28.201 28.222 -0.021 1
1 191 . 9 1 1 A 15 15 GLN N N 15 121.722 121.429 0.293 1
1 193 . 9 1 1 A 16 16 GLY H H 16 8.439 8.601 -0.162 1
1 194 . 9 1 1 A 16 16 GLY HA2 H 16 1.849 2.658 -0.809 1
1 195 . 9 1 1 A 16 16 GLY HA3 H 16 3.742 2.933 0.809 1
1 196 . 9 1 1 A 16 16 GLY C C 16 175.080 175.089 -0.009 1
1 197 . 9 1 1 A 16 16 GLY CA C 16 45.784 46.635 -0.851 1
1 198 . 9 1 1 A 16 16 GLY N N 16 113.363 106.987 6.376 1
1 199 . 9 1 1 A 17 17 TYR H H 17 8.167 7.934 0.233 1
1 200 . 9 1 1 A 17 17 TYR HA H 17 4.014 4.236 -0.222 1
1 207 . 9 1 1 A 17 17 TYR C C 17 177.200 177.530 -0.330 1
1 208 . 9 1 1 A 17 17 TYR CA C 17 60.567 60.929 -0.362 1
1 209 . 9 1 1 A 17 17 TYR CB C 17 38.755 38.944 -0.189 1
1 214 . 9 1 1 A 17 17 TYR N N 17 123.123 123.669 -0.546 1
1 215 . 9 1 1 A 18 18 LYS H H 18 8.003 7.795 0.208 1
1 216 . 9 1 1 A 18 18 LYS HA H 18 3.681 4.194 -0.513 1
1 225 . 9 1 1 A 18 18 LYS C C 18 178.838 178.935 -0.097 1
1 226 . 9 1 1 A 18 18 LYS CA C 18 59.677 58.925 0.752 1
1 227 . 9 1 1 A 18 18 LYS CB C 18 32.393 32.118 0.275 1
1 231 . 9 1 1 A 18 18 LYS N N 18 117.920 119.734 -1.814 1
1 232 . 9 1 1 A 19 19 ALA H H 19 8.067 8.979 -0.912 1
1 233 . 9 1 1 A 19 19 ALA HA H 19 4.194 4.249 -0.055 1
1 237 . 9 1 1 A 19 19 ALA C C 19 180.263 179.956 0.307 1
1 238 . 9 1 1 A 19 19 ALA CA C 19 55.349 54.745 0.604 1
1 239 . 9 1 1 A 19 19 ALA CB C 19 19.039 18.772 0.267 1
1 240 . 9 1 1 A 19 19 ALA N N 19 120.778 121.686 -0.908 1
1 241 . 9 1 1 A 20 20 GLY H H 20 8.527 8.221 0.306 1
1 242 . 9 1 1 A 20 20 GLY HA2 H 20 3.101 3.282 -0.181 1
1 243 . 9 1 1 A 20 20 GLY HA3 H 20 3.303 3.305 -0.002 1
1 244 . 9 1 1 A 20 20 GLY C C 20 177.818 175.709 2.109 1
1 245 . 9 1 1 A 20 20 GLY CA C 20 47.102 47.056 0.046 1
1 246 . 9 1 1 A 20 20 GLY N N 20 107.003 106.920 0.083 1
1 247 . 9 1 1 A 21 21 LEU H H 21 8.310 7.759 0.551 1
1 248 . 9 1 1 A 21 21 LEU HA H 21 3.696 4.166 -0.470 1
1 258 . 9 1 1 A 21 21 LEU C C 21 178.603 177.947 0.656 1
1 259 . 9 1 1 A 21 21 LEU CA C 21 57.417 57.208 0.209 1
1 260 . 9 1 1 A 21 21 LEU CB C 21 41.798 42.752 -0.954 1
1 264 . 9 1 1 A 21 21 LEU N N 21 124.762 121.741 3.021 1
1 265 . 9 1 1 A 22 22 ASN H H 22 7.628 8.872 -1.244 1
1 266 . 9 1 1 A 22 22 ASN HA H 22 4.701 4.737 -0.036 1
1 271 . 9 1 1 A 22 22 ASN C C 22 175.456 178.503 -3.047 1
1 272 . 9 1 1 A 22 22 ASN CA C 22 53.292 55.557 -2.265 1
1 273 . 9 1 1 A 22 22 ASN CB C 22 39.188 38.746 0.442 1
1 274 . 9 1 1 A 22 22 ASN N N 22 114.867 115.509 -0.642 1
1 276 . 9 1 1 A 23 23 GLY H H 23 7.586 8.355 -0.769 1
1 277 . 9 1 1 A 23 23 GLY HA2 H 23 3.810 3.939 -0.129 1
1 278 . 9 1 1 A 23 23 GLY HA3 H 23 4.102 4.029 0.073 1
1 279 . 9 1 1 A 23 23 GLY C C 23 175.226 175.321 -0.095 1
1 280 . 9 1 1 A 23 23 GLY CA C 23 46.302 47.152 -0.850 1
1 281 . 9 1 1 A 23 23 GLY N N 23 106.650 109.296 -2.646 1
1 282 . 9 1 1 A 24 24 ARG H H 24 8.156 8.167 -0.011 1
1 283 . 9 1 1 A 24 24 ARG HA H 24 4.508 4.253 0.255 1
1 290 . 9 1 1 A 24 24 ARG C C 24 177.405 175.559 1.846 1
1 291 . 9 1 1 A 24 24 ARG CA C 24 55.103 58.277 -3.174 1
1 292 . 9 1 1 A 24 24 ARG CB C 24 30.537 30.245 0.292 1
1 295 . 9 1 1 A 24 24 ARG N N 24 118.161 120.036 -1.875 1
1 296 . 9 1 1 A 25 25 SER H H 25 9.015 8.815 0.200 1
1 297 . 9 1 1 A 25 25 SER HA H 25 4.804 5.135 -0.331 1
1 300 . 9 1 1 A 25 25 SER C C 25 175.005 174.100 0.905 1
1 301 . 9 1 1 A 25 25 SER CA C 25 57.752 57.211 0.541 1
1 302 . 9 1 1 A 25 25 SER CB C 25 64.687 66.157 -1.470 1
1 303 . 9 1 1 A 25 25 SER N N 25 119.720 113.324 6.396 1
1 304 . 9 1 1 A 26 26 GLN H H 26 8.662 8.651 0.011 1
1 305 . 9 1 1 A 26 26 GLN HA H 26 3.162 4.186 -1.024 1
1 312 . 9 1 1 A 26 26 GLN C C 26 177.736 176.812 0.924 1
1 313 . 9 1 1 A 26 26 GLN CA C 26 58.643 56.176 2.467 1
1 314 . 9 1 1 A 26 26 GLN CB C 26 27.352 28.986 -1.634 1
1 316 . 9 1 1 A 26 26 GLN N N 26 120.247 121.490 -1.243 1
1 318 . 9 1 1 A 27 27 GLU H H 27 8.244 8.170 0.074 1
1 319 . 9 1 1 A 27 27 GLU HA H 27 3.886 4.114 -0.228 1
1 324 . 9 1 1 A 27 27 GLU C C 27 176.177 177.510 -1.333 1
1 325 . 9 1 1 A 27 27 GLU CA C 27 57.807 58.123 -0.316 1
1 326 . 9 1 1 A 27 27 GLU CB C 27 28.583 29.257 -0.674 1
1 328 . 9 1 1 A 27 27 GLU N N 27 117.869 118.595 -0.726 1
1 329 . 9 1 1 A 28 28 ALA H H 28 7.451 7.612 -0.161 1
1 330 . 9 1 1 A 28 28 ALA HA H 28 4.070 4.421 -0.351 1
1 334 . 9 1 1 A 28 28 ALA C C 28 176.063 176.716 -0.653 1
1 335 . 9 1 1 A 28 28 ALA CA C 28 51.945 51.831 0.114 1
1 336 . 9 1 1 A 28 28 ALA CB C 28 18.113 18.961 -0.848 1
1 337 . 9 1 1 A 28 28 ALA N N 28 120.356 121.743 -1.387 1
1 338 . 9 1 1 A 29 29 CYS H H 29 6.591 6.839 -0.248 1
1 339 . 9 1 1 A 29 29 CYS HA H 29 1.828 3.910 -2.082 1
1 342 . 9 1 1 A 29 29 CYS CA C 29 56.231 55.115 1.116 1
1 343 . 9 1 1 A 29 29 CYS CB C 29 27.778 27.197 0.581 1
1 344 . 9 1 1 A 29 29 CYS N N 29 121.588 119.192 2.396 1
1 345 . 9 1 1 A 30 30 PRO HA H 30 4.323 4.382 -0.059 1
1 352 . 9 1 1 A 30 30 PRO C C 30 175.515 176.391 -0.876 1
1 353 . 9 1 1 A 30 30 PRO CA C 30 63.382 63.542 -0.160 1
1 354 . 9 1 1 A 30 30 PRO CB C 30 31.551 32.873 -1.322 1
1 357 . 9 1 1 A 31 31 TYR H H 31 6.804 8.148 -1.344 1
1 358 . 9 1 1 A 31 31 TYR HA H 31 4.582 4.319 0.263 1
1 365 . 9 1 1 A 31 31 TYR C C 31 174.785 175.827 -1.042 1
1 366 . 9 1 1 A 31 31 TYR CA C 31 58.348 60.486 -2.138 1
1 367 . 9 1 1 A 31 31 TYR CB C 31 41.030 39.269 1.761 1
1 372 . 9 1 1 A 31 31 TYR N N 31 118.903 120.183 -1.280 1
1 373 . 9 1 1 A 32 32 GLN H H 32 8.763 7.720 1.043 1
1 374 . 9 1 1 A 32 32 GLN HA H 32 4.344 4.729 -0.385 1
1 381 . 9 1 1 A 32 32 GLN C C 32 176.528 174.964 1.564 1
1 382 . 9 1 1 A 32 32 GLN CA C 32 55.996 54.782 1.214 1
1 383 . 9 1 1 A 32 32 GLN CB C 32 30.182 32.305 -2.123 1
1 385 . 9 1 1 A 32 32 GLN N N 32 120.327 114.684 5.643 1
1 387 . 9 1 1 A 33 33 GLN H H 33 8.230 8.673 -0.443 1
1 388 . 9 1 1 A 33 33 GLN HA H 33 4.262 4.392 -0.130 1
1 395 . 9 1 1 A 33 33 GLN C C 33 177.216 178.024 -0.808 1
1 396 . 9 1 1 A 33 33 GLN CA C 33 56.931 57.317 -0.386 1
1 397 . 9 1 1 A 33 33 GLN CB C 33 28.699 29.934 -1.235 1
1 399 . 9 1 1 A 33 33 GLN N N 33 121.712 122.213 -0.501 1
1 401 . 9 1 1 A 34 34 VAL H H 34 8.484 8.011 0.473 1
1 402 . 9 1 1 A 34 34 VAL HA H 34 3.551 3.504 0.047 1
1 410 . 9 1 1 A 34 34 VAL C C 34 177.685 177.713 -0.028 1
1 411 . 9 1 1 A 34 34 VAL CA C 34 66.570 66.281 0.289 1
1 412 . 9 1 1 A 34 34 VAL CB C 34 31.946 31.592 0.354 1
1 415 . 9 1 1 A 34 34 VAL N N 34 122.145 119.223 2.922 1
1 416 . 9 1 1 A 35 35 ASP H H 35 8.324 8.339 -0.015 1
1 417 . 9 1 1 A 35 35 ASP HA H 35 4.434 4.401 0.033 1
1 420 . 9 1 1 A 35 35 ASP C C 35 177.892 178.610 -0.718 1
1 421 . 9 1 1 A 35 35 ASP CA C 35 56.826 57.480 -0.654 1
1 422 . 9 1 1 A 35 35 ASP CB C 35 38.807 40.632 -1.825 1
1 423 . 9 1 1 A 35 35 ASP N N 35 120.937 120.097 0.840 1
1 424 . 9 1 1 A 36 36 ALA H H 36 8.431 8.228 0.203 1
1 425 . 9 1 1 A 36 36 ALA HA H 36 3.598 4.199 -0.601 1
1 429 . 9 1 1 A 36 36 ALA C C 36 178.949 179.553 -0.604 1
1 430 . 9 1 1 A 36 36 ALA CA C 36 55.327 55.135 0.192 1
1 431 . 9 1 1 A 36 36 ALA CB C 36 17.371 18.399 -1.028 1
1 432 . 9 1 1 A 36 36 ALA N N 36 126.210 122.515 3.695 1
1 433 . 9 1 1 A 37 37 ARG H H 37 8.458 8.402 0.056 1
1 434 . 9 1 1 A 37 37 ARG HA H 37 3.857 4.155 -0.298 1
1 442 . 9 1 1 A 37 37 ARG C C 37 177.746 178.293 -0.547 1
1 443 . 9 1 1 A 37 37 ARG CA C 37 60.636 59.682 0.954 1
1 444 . 9 1 1 A 37 37 ARG CB C 37 29.931 29.889 0.042 1
1 447 . 9 1 1 A 37 37 ARG N N 37 116.717 119.675 -2.958 1
1 449 . 9 1 1 A 38 38 SER H H 38 8.173 7.664 0.509 1
1 450 . 9 1 1 A 38 38 SER HA H 38 4.130 4.208 -0.078 1
1 451 . 9 1 1 A 38 38 SER C C 38 178.293 176.195 2.098 1
1 452 . 9 1 1 A 38 38 SER CA C 38 62.627 61.466 1.161 1
1 453 . 9 1 1 A 38 38 SER N N 38 114.110 114.137 -0.027 1
1 454 . 9 1 1 A 39 39 TYR H H 39 8.343 7.337 1.006 1
1 455 . 9 1 1 A 39 39 TYR HA H 39 4.213 4.505 -0.292 1
1 462 . 9 1 1 A 39 39 TYR C C 39 178.701 178.669 0.032 1
1 463 . 9 1 1 A 39 39 TYR CA C 39 62.466 60.291 2.175 1
1 464 . 9 1 1 A 39 39 TYR CB C 39 38.687 39.386 -0.699 1
1 469 . 9 1 1 A 39 39 TYR N N 39 123.318 118.091 5.227 1
1 470 . 9 1 1 A 40 40 TRP H H 40 8.818 8.537 0.281 1
1 471 . 9 1 1 A 40 40 TRP HA H 40 4.586 4.729 -0.143 1
1 480 . 9 1 1 A 40 40 TRP C C 40 179.359 178.056 1.303 1
1 481 . 9 1 1 A 40 40 TRP CA C 40 61.953 60.441 1.512 1
1 482 . 9 1 1 A 40 40 TRP CB C 40 31.349 30.141 1.208 1
1 488 . 9 1 1 A 40 40 TRP N N 40 123.286 122.341 0.945 1
1 490 . 9 1 1 A 41 41 LEU H H 41 9.368 8.245 1.123 1
1 491 . 9 1 1 A 41 41 LEU HA H 41 4.405 4.292 0.113 1
1 501 . 9 1 1 A 41 41 LEU C C 41 179.498 178.862 0.636 1
1 502 . 9 1 1 A 41 41 LEU CA C 41 58.206 57.519 0.687 1
1 503 . 9 1 1 A 41 41 LEU CB C 41 41.754 41.827 -0.073 1
1 507 . 9 1 1 A 41 41 LEU N N 41 119.265 121.021 -1.756 1
1 508 . 9 1 1 A 42 42 GLY H H 42 8.283 7.957 0.326 1
1 509 . 9 1 1 A 42 42 GLY HA2 H 42 3.857 3.748 0.109 1
1 510 . 9 1 1 A 42 42 GLY HA3 H 42 3.929 3.782 0.147 1
1 511 . 9 1 1 A 42 42 GLY C C 42 176.508 176.658 -0.150 1
1 512 . 9 1 1 A 42 42 GLY CA C 42 47.412 47.507 -0.095 1
1 513 . 9 1 1 A 42 42 GLY N N 42 108.413 107.237 1.176 1
1 514 . 9 1 1 A 43 43 GLY H H 43 8.181 8.573 -0.392 1
1 515 . 9 1 1 A 43 43 GLY HA2 H 43 4.124 3.779 0.345 1
1 516 . 9 1 1 A 43 43 GLY HA3 H 43 4.258 3.802 0.456 1
1 517 . 9 1 1 A 43 43 GLY C C 43 174.891 175.708 -0.817 1
1 518 . 9 1 1 A 43 43 GLY CA C 43 47.341 47.024 0.317 1
1 519 . 9 1 1 A 43 43 GLY N N 43 109.904 109.002 0.902 1
1 520 . 9 1 1 A 44 44 TRP H H 44 8.460 8.001 0.459 1
1 521 . 9 1 1 A 44 44 TRP HA H 44 3.578 4.061 -0.483 1
1 530 . 9 1 1 A 44 44 TRP C C 44 178.547 178.425 0.122 1
1 531 . 9 1 1 A 44 44 TRP CA C 44 62.646 59.746 2.900 1
1 532 . 9 1 1 A 44 44 TRP CB C 44 29.467 29.342 0.125 1
1 538 . 9 1 1 A 44 44 TRP N N 44 124.152 124.170 -0.018 1
1 540 . 9 1 1 A 45 45 ARG H H 45 8.759 8.489 0.270 1
1 541 . 9 1 1 A 45 45 ARG HA H 45 3.669 3.970 -0.301 1
1 549 . 9 1 1 A 45 45 ARG C C 45 178.784 178.112 0.672 1
1 550 . 9 1 1 A 45 45 ARG CA C 45 59.785 59.392 0.393 1
1 551 . 9 1 1 A 45 45 ARG CB C 45 30.295 29.837 0.458 1
1 554 . 9 1 1 A 45 45 ARG N N 45 118.655 118.653 0.002 1
1 556 . 9 1 1 A 46 46 ASP H H 46 8.084 8.577 -0.493 1
1 557 . 9 1 1 A 46 46 ASP HA H 46 4.362 4.224 0.138 1
1 560 . 9 1 1 A 46 46 ASP C C 46 178.818 177.893 0.925 1
1 561 . 9 1 1 A 46 46 ASP CA C 46 57.518 57.941 -0.423 1
1 562 . 9 1 1 A 46 46 ASP CB C 46 39.752 42.225 -2.473 1
1 563 . 9 1 1 A 46 46 ASP N N 46 120.646 119.430 1.216 1
1 564 . 9 1 1 A 47 47 ALA H H 47 7.873 8.334 -0.461 1
1 565 . 9 1 1 A 47 47 ALA HA H 47 3.627 3.294 0.333 1
1 569 . 9 1 1 A 47 47 ALA C C 47 179.397 179.227 0.170 1
1 570 . 9 1 1 A 47 47 ALA CA C 47 54.962 54.474 0.488 1
1 571 . 9 1 1 A 47 47 ALA CB C 47 18.940 17.486 1.454 1
1 572 . 9 1 1 A 47 47 ALA N N 47 122.126 121.331 0.795 1
1 573 . 9 1 1 A 48 48 ARG H H 48 7.587 7.545 0.042 1
1 574 . 9 1 1 A 48 48 ARG HA H 48 3.538 3.788 -0.250 1
1 582 . 9 1 1 A 48 48 ARG C C 48 178.647 178.036 0.611 1
1 583 . 9 1 1 A 48 48 ARG CA C 48 57.880 59.346 -1.466 1
1 584 . 9 1 1 A 48 48 ARG CB C 48 28.753 29.468 -0.715 1
1 587 . 9 1 1 A 48 48 ARG N N 48 117.721 117.319 0.402 1
1 589 . 9 1 1 A 49 49 ASP H H 49 8.249 8.020 0.229 1
1 590 . 9 1 1 A 49 49 ASP HA H 49 4.383 4.413 -0.030 1
1 593 . 9 1 1 A 49 49 ASP C C 49 178.360 178.505 -0.145 1
1 594 . 9 1 1 A 49 49 ASP CA C 49 56.330 56.339 -0.009 1
1 595 . 9 1 1 A 49 49 ASP CB C 49 40.401 40.894 -0.493 1
1 596 . 9 1 1 A 49 49 ASP N N 49 119.997 119.136 0.861 1
1 597 . 9 1 1 A 50 50 GLU H H 50 8.060 7.533 0.527 1
1 598 . 9 1 1 A 50 50 GLU HA H 50 4.007 4.076 -0.069 1
1 603 . 9 1 1 A 50 50 GLU C C 50 178.675 178.252 0.423 1
1 604 . 9 1 1 A 50 50 GLU CA C 50 58.740 58.741 -0.001 1
1 605 . 9 1 1 A 50 50 GLU CB C 50 29.585 29.524 0.061 1
1 607 . 9 1 1 A 50 50 GLU N N 50 121.823 119.012 2.811 1
1 608 . 9 1 1 A 51 51 LYS H H 51 8.089 7.935 0.154 1
1 609 . 9 1 1 A 51 51 LYS HA H 51 4.057 4.037 0.020 1
1 618 . 9 1 1 A 51 51 LYS C C 51 178.241 178.691 -0.450 1
1 619 . 9 1 1 A 51 51 LYS CA C 51 57.727 58.805 -1.078 1
1 620 . 9 1 1 A 51 51 LYS CB C 51 32.090 31.870 0.220 1
1 624 . 9 1 1 A 51 51 LYS N N 51 119.415 119.539 -0.124 1
1 625 . 9 1 1 A 52 52 GLN H H 52 8.043 7.603 0.440 1
1 626 . 9 1 1 A 52 52 GLN HA H 52 4.189 4.042 0.147 1
1 633 . 9 1 1 A 52 52 GLN C C 52 176.965 177.861 -0.896 1
1 634 . 9 1 1 A 52 52 GLN CA C 52 56.977 58.473 -1.496 1
1 635 . 9 1 1 A 52 52 GLN CB C 52 28.858 28.621 0.237 1
1 637 . 9 1 1 A 52 52 GLN N N 52 118.262 118.988 -0.726 1
1 639 . 9 1 1 A 53 53 SER H H 53 8.088 7.942 0.146 1
1 640 . 9 1 1 A 53 53 SER HA H 53 4.339 4.307 0.032 1
1 643 . 9 1 1 A 53 53 SER C C 53 175.679 176.089 -0.410 1
1 644 . 9 1 1 A 53 53 SER CA C 53 59.492 59.913 -0.421 1
1 645 . 9 1 1 A 53 53 SER CB C 53 63.849 62.783 1.066 1
1 646 . 9 1 1 A 53 53 SER N N 53 114.966 114.194 0.772 1
1 647 . 9 1 1 A 54 54 GLY H H 54 8.228 8.341 -0.113 1
1 648 . 9 1 1 A 54 54 GLY HA2 H 54 3.939 3.808 0.131 1
1 649 . 9 1 1 A 54 54 GLY HA3 H 54 3.867 3.816 0.051 1
1 650 . 9 1 1 A 54 54 GLY C C 54 174.591 175.497 -0.906 1
1 651 . 9 1 1 A 54 54 GLY CA C 54 45.776 46.589 -0.813 1
1 652 . 9 1 1 A 54 54 GLY N N 54 110.315 108.214 2.101 1
1 653 . 9 1 1 A 55 55 LEU H H 55 7.846 7.738 0.108 1
1 654 . 9 1 1 A 55 55 LEU HA H 55 4.174 4.218 -0.044 1
1 664 . 9 1 1 A 55 55 LEU C C 55 177.315 176.585 0.730 1
1 665 . 9 1 1 A 55 55 LEU CA C 55 55.716 57.677 -1.961 1
1 666 . 9 1 1 A 55 55 LEU CB C 55 42.103 42.819 -0.716 1
1 670 . 9 1 1 A 55 55 LEU N N 55 121.456 122.827 -1.371 1
1 671 . 9 1 1 A 56 56 TYR H H 56 7.960 7.642 0.318 1
1 672 . 9 1 1 A 56 56 TYR HA H 56 4.450 4.760 -0.310 1
1 679 . 9 1 1 A 56 56 TYR C C 56 176.206 175.501 0.705 1
1 680 . 9 1 1 A 56 56 TYR CA C 56 58.242 57.271 0.971 1
1 681 . 9 1 1 A 56 56 TYR CB C 56 38.478 39.110 -0.632 1
1 686 . 9 1 1 A 56 56 TYR N N 56 119.665 118.438 1.227 1
1 687 . 9 1 1 A 57 57 LYS H H 57 8.015 8.092 -0.077 1
1 688 . 9 1 1 A 57 57 LYS HA H 57 4.154 4.199 -0.045 1
1 697 . 9 1 1 A 57 57 LYS C C 57 176.553 176.588 -0.035 1
1 698 . 9 1 1 A 57 57 LYS CA C 57 56.656 56.174 0.482 1
1 699 . 9 1 1 A 57 57 LYS CB C 57 32.870 33.116 -0.246 1
1 703 . 9 1 1 A 57 57 LYS N N 57 122.012 122.711 -0.699 1
1 704 . 9 1 1 A 58 58 LEU H H 58 8.035 7.991 0.044 1
1 705 . 9 1 1 A 58 58 LEU HA H 58 4.185 4.015 0.170 1
1 715 . 9 1 1 A 58 58 LEU C C 58 177.527 175.743 1.784 1
1 716 . 9 1 1 A 58 58 LEU CA C 58 55.574 57.063 -1.489 1
1 717 . 9 1 1 A 58 58 LEU CB C 58 42.175 41.653 0.522 1
1 721 . 9 1 1 A 58 58 LEU N N 58 122.265 119.073 3.192 1
1 722 . 9 1 1 A 59 59 GLU H H 59 8.253 7.936 0.317 1
1 723 . 9 1 1 A 59 59 GLU HA H 59 4.123 4.798 -0.675 1
1 728 . 9 1 1 A 59 59 GLU C C 59 176.231 175.132 1.099 1
1 729 . 9 1 1 A 59 59 GLU CA C 59 56.658 54.432 2.226 1
1 730 . 9 1 1 A 59 59 GLU CB C 59 30.246 33.815 -3.569 1
1 732 . 9 1 1 A 59 59 GLU N N 59 120.313 117.139 3.174 1
1 7 . 10 1 1 A 2 2 LYS H H 2 8.138 8.655 -0.517 1
1 8 . 10 1 1 A 2 2 LYS HA H 2 4.325 4.203 0.122 1
1 17 . 10 1 1 A 2 2 LYS C C 2 176.460 176.020 0.440 1
1 18 . 10 1 1 A 2 2 LYS CA C 2 56.632 56.526 0.106 1
1 19 . 10 1 1 A 2 2 LYS CB C 2 33.087 32.898 0.189 1
1 23 . 10 1 1 A 2 2 LYS N N 2 125.275 124.801 0.474 1
1 24 . 10 1 1 A 3 3 ARG H H 3 8.624 8.954 -0.330 1
1 25 . 10 1 1 A 3 3 ARG HA H 3 4.220 3.769 0.451 1
1 32 . 10 1 1 A 3 3 ARG C C 3 176.426 176.418 0.008 1
1 33 . 10 1 1 A 3 3 ARG CA C 3 56.705 56.950 -0.245 1
1 34 . 10 1 1 A 3 3 ARG CB C 3 30.577 27.514 3.063 1
1 37 . 10 1 1 A 3 3 ARG N N 3 123.963 117.181 6.782 1
1 38 . 10 1 1 A 4 4 GLN H H 4 8.613 8.094 0.519 1
1 39 . 10 1 1 A 4 4 GLN HA H 4 4.221 4.238 -0.017 1
1 46 . 10 1 1 A 4 4 GLN C C 4 176.604 176.422 0.182 1
1 47 . 10 1 1 A 4 4 GLN CA C 4 56.626 55.937 0.689 1
1 48 . 10 1 1 A 4 4 GLN CB C 4 29.536 27.985 1.551 1
1 50 . 10 1 1 A 4 4 GLN N N 4 121.223 116.822 4.401 1
1 52 . 10 1 1 A 5 5 LYS H H 5 8.180 7.917 0.263 1
1 53 . 10 1 1 A 5 5 LYS HA H 5 4.161 3.942 0.219 1
1 62 . 10 1 1 A 5 5 LYS C C 5 176.971 179.213 -2.242 1
1 63 . 10 1 1 A 5 5 LYS CA C 5 57.367 60.120 -2.753 1
1 64 . 10 1 1 A 5 5 LYS CB C 5 32.873 31.960 0.913 1
1 68 . 10 1 1 A 5 5 LYS N N 5 122.464 121.213 1.251 1
1 69 . 10 1 1 A 6 6 ARG H H 6 8.345 7.892 0.453 1
1 70 . 10 1 1 A 6 6 ARG HA H 6 4.119 3.858 0.261 1
1 77 . 10 1 1 A 6 6 ARG C C 6 176.908 178.028 -1.120 1
1 78 . 10 1 1 A 6 6 ARG CA C 6 57.246 58.817 -1.571 1
1 79 . 10 1 1 A 6 6 ARG CB C 6 30.166 30.179 -0.013 1
1 82 . 10 1 1 A 6 6 ARG N N 6 121.458 120.479 0.979 1
1 83 . 10 1 1 A 7 7 ASP H H 7 8.422 8.426 -0.004 1
1 84 . 10 1 1 A 7 7 ASP HA H 7 4.414 4.261 0.153 1
1 87 . 10 1 1 A 7 7 ASP C C 7 177.562 178.291 -0.729 1
1 88 . 10 1 1 A 7 7 ASP CA C 7 55.809 57.166 -1.357 1
1 89 . 10 1 1 A 7 7 ASP CB C 7 41.064 41.751 -0.687 1
1 90 . 10 1 1 A 7 7 ASP N N 7 120.954 119.703 1.251 1
1 91 . 10 1 1 A 8 8 ARG H H 8 8.061 8.062 -0.001 1
1 92 . 10 1 1 A 8 8 ARG HA H 8 3.971 4.166 -0.195 1
1 99 . 10 1 1 A 8 8 ARG C C 8 178.412 178.303 0.109 1
1 100 . 10 1 1 A 8 8 ARG CA C 8 59.160 58.306 0.854 1
1 101 . 10 1 1 A 8 8 ARG CB C 8 30.192 29.416 0.776 1
1 104 . 10 1 1 A 8 8 ARG N N 8 119.853 118.310 1.543 1
1 105 . 10 1 1 A 9 9 LEU H H 9 7.801 7.634 0.167 1
1 106 . 10 1 1 A 9 9 LEU HA H 9 3.727 3.960 -0.233 1
1 116 . 10 1 1 A 9 9 LEU C C 9 178.182 178.630 -0.448 1
1 117 . 10 1 1 A 9 9 LEU CA C 9 57.192 57.223 -0.031 1
1 118 . 10 1 1 A 9 9 LEU CB C 9 38.370 41.443 -3.073 1
1 122 . 10 1 1 A 9 9 LEU N N 9 121.052 121.225 -0.173 1
1 123 . 10 1 1 A 10 10 GLU H H 10 8.172 8.618 -0.446 1
1 124 . 10 1 1 A 10 10 GLU HA H 10 4.014 4.072 -0.058 1
1 129 . 10 1 1 A 10 10 GLU C C 10 180.022 178.475 1.547 1
1 130 . 10 1 1 A 10 10 GLU CA C 10 59.504 59.183 0.321 1
1 131 . 10 1 1 A 10 10 GLU CB C 10 29.451 29.345 0.106 1
1 133 . 10 1 1 A 10 10 GLU N N 10 120.463 118.895 1.568 1
1 134 . 10 1 1 A 11 11 ARG H H 11 8.202 7.596 0.606 1
1 135 . 10 1 1 A 11 11 ARG HA H 11 4.117 4.141 -0.024 1
1 142 . 10 1 1 A 11 11 ARG C C 11 178.321 178.522 -0.201 1
1 143 . 10 1 1 A 11 11 ARG CA C 11 59.328 58.806 0.522 1
1 144 . 10 1 1 A 11 11 ARG CB C 11 29.798 29.718 0.080 1
1 147 . 10 1 1 A 11 11 ARG N N 11 119.987 120.008 -0.021 1
1 148 . 10 1 1 A 12 12 ALA H H 12 7.661 7.986 -0.325 1
1 149 . 10 1 1 A 12 12 ALA HA H 12 4.603 3.820 0.783 1
1 153 . 10 1 1 A 12 12 ALA C C 12 179.757 179.602 0.155 1
1 154 . 10 1 1 A 12 12 ALA CA C 12 55.536 54.791 0.745 1
1 155 . 10 1 1 A 12 12 ALA CB C 12 18.423 17.827 0.596 1
1 156 . 10 1 1 A 12 12 ALA N N 12 122.208 121.638 0.570 1
1 157 . 10 1 1 A 13 13 GLN H H 13 8.205 8.187 0.018 1
1 158 . 10 1 1 A 13 13 GLN HA H 13 4.332 4.290 0.042 1
1 165 . 10 1 1 A 13 13 GLN C C 13 178.128 178.114 0.014 1
1 166 . 10 1 1 A 13 13 GLN CA C 13 59.565 58.762 0.803 1
1 167 . 10 1 1 A 13 13 GLN CB C 13 29.572 28.757 0.815 1
1 169 . 10 1 1 A 13 13 GLN N N 13 118.449 119.437 -0.988 1
1 171 . 10 1 1 A 14 14 SER H H 14 8.245 7.553 0.692 1
1 172 . 10 1 1 A 14 14 SER HA H 14 4.281 4.194 0.087 1
1 175 . 10 1 1 A 14 14 SER C C 14 177.751 177.551 0.200 1
1 176 . 10 1 1 A 14 14 SER CA C 14 61.583 61.546 0.037 1
1 177 . 10 1 1 A 14 14 SER CB C 14 62.897 62.795 0.102 1
1 178 . 10 1 1 A 14 14 SER N N 14 115.275 114.263 1.012 1
1 179 . 10 1 1 A 15 15 GLN H H 15 8.686 8.696 -0.010 1
1 180 . 10 1 1 A 15 15 GLN HA H 15 4.124 4.091 0.033 1
1 187 . 10 1 1 A 15 15 GLN C C 15 179.621 178.477 1.144 1
1 188 . 10 1 1 A 15 15 GLN CA C 15 58.803 59.513 -0.710 1
1 189 . 10 1 1 A 15 15 GLN CB C 15 28.201 28.375 -0.174 1
1 191 . 10 1 1 A 15 15 GLN N N 15 121.722 120.613 1.109 1
1 193 . 10 1 1 A 16 16 GLY H H 16 8.439 8.673 -0.234 1
1 194 . 10 1 1 A 16 16 GLY HA2 H 16 1.849 2.445 -0.596 1
1 195 . 10 1 1 A 16 16 GLY HA3 H 16 3.742 2.952 0.790 1
1 196 . 10 1 1 A 16 16 GLY C C 16 175.080 175.044 0.036 1
1 197 . 10 1 1 A 16 16 GLY CA C 16 45.784 46.538 -0.754 1
1 198 . 10 1 1 A 16 16 GLY N N 16 113.363 106.618 6.745 1
1 199 . 10 1 1 A 17 17 TYR H H 17 8.167 7.936 0.231 1
1 200 . 10 1 1 A 17 17 TYR HA H 17 4.014 4.120 -0.106 1
1 207 . 10 1 1 A 17 17 TYR C C 17 177.200 177.564 -0.364 1
1 208 . 10 1 1 A 17 17 TYR CA C 17 60.567 60.919 -0.352 1
1 209 . 10 1 1 A 17 17 TYR CB C 17 38.755 38.636 0.119 1
1 214 . 10 1 1 A 17 17 TYR N N 17 123.123 123.878 -0.755 1
1 215 . 10 1 1 A 18 18 LYS H H 18 8.003 8.126 -0.123 1
1 216 . 10 1 1 A 18 18 LYS HA H 18 3.681 4.118 -0.437 1
1 225 . 10 1 1 A 18 18 LYS C C 18 178.838 179.026 -0.188 1
1 226 . 10 1 1 A 18 18 LYS CA C 18 59.677 58.865 0.812 1
1 227 . 10 1 1 A 18 18 LYS CB C 18 32.393 32.224 0.169 1
1 231 . 10 1 1 A 18 18 LYS N N 18 117.920 119.562 -1.642 1
1 232 . 10 1 1 A 19 19 ALA H H 19 8.067 8.782 -0.715 1
1 233 . 10 1 1 A 19 19 ALA HA H 19 4.194 4.202 -0.008 1
1 237 . 10 1 1 A 19 19 ALA C C 19 180.263 179.986 0.277 1
1 238 . 10 1 1 A 19 19 ALA CA C 19 55.349 54.855 0.494 1
1 239 . 10 1 1 A 19 19 ALA CB C 19 19.039 18.478 0.561 1
1 240 . 10 1 1 A 19 19 ALA N N 19 120.778 121.516 -0.738 1
1 241 . 10 1 1 A 20 20 GLY H H 20 8.527 8.005 0.522 1
1 242 . 10 1 1 A 20 20 GLY HA2 H 20 3.101 2.979 0.122 1
1 243 . 10 1 1 A 20 20 GLY HA3 H 20 3.303 3.243 0.060 1
1 244 . 10 1 1 A 20 20 GLY C C 20 177.818 175.525 2.293 1
1 245 . 10 1 1 A 20 20 GLY CA C 20 47.102 47.020 0.082 1
1 246 . 10 1 1 A 20 20 GLY N N 20 107.003 106.040 0.963 1
1 247 . 10 1 1 A 21 21 LEU H H 21 8.310 7.877 0.433 1
1 248 . 10 1 1 A 21 21 LEU HA H 21 3.696 4.037 -0.341 1
1 258 . 10 1 1 A 21 21 LEU C C 21 178.603 178.002 0.601 1
1 259 . 10 1 1 A 21 21 LEU CA C 21 57.417 57.404 0.013 1
1 260 . 10 1 1 A 21 21 LEU CB C 21 41.798 42.725 -0.927 1
1 264 . 10 1 1 A 21 21 LEU N N 21 124.762 122.269 2.493 1
1 265 . 10 1 1 A 22 22 ASN H H 22 7.628 8.750 -1.122 1
1 266 . 10 1 1 A 22 22 ASN HA H 22 4.701 4.730 -0.029 1
1 271 . 10 1 1 A 22 22 ASN C C 22 175.456 178.266 -2.810 1
1 272 . 10 1 1 A 22 22 ASN CA C 22 53.292 55.346 -2.054 1
1 273 . 10 1 1 A 22 22 ASN CB C 22 39.188 38.687 0.501 1
1 274 . 10 1 1 A 22 22 ASN N N 22 114.867 114.917 -0.050 1
1 276 . 10 1 1 A 23 23 GLY H H 23 7.586 8.429 -0.843 1
1 277 . 10 1 1 A 23 23 GLY HA2 H 23 3.810 3.965 -0.155 1
1 278 . 10 1 1 A 23 23 GLY HA3 H 23 4.102 4.052 0.050 1
1 279 . 10 1 1 A 23 23 GLY C C 23 175.226 174.929 0.297 1
1 280 . 10 1 1 A 23 23 GLY CA C 23 46.302 47.245 -0.943 1
1 281 . 10 1 1 A 23 23 GLY N N 23 106.650 109.186 -2.536 1
1 282 . 10 1 1 A 24 24 ARG H H 24 8.156 8.187 -0.031 1
1 283 . 10 1 1 A 24 24 ARG HA H 24 4.508 4.267 0.241 1
1 290 . 10 1 1 A 24 24 ARG C C 24 177.405 175.723 1.682 1
1 291 . 10 1 1 A 24 24 ARG CA C 24 55.103 58.372 -3.269 1
1 292 . 10 1 1 A 24 24 ARG CB C 24 30.537 30.094 0.443 1
1 295 . 10 1 1 A 24 24 ARG N N 24 118.161 120.182 -2.021 1
1 296 . 10 1 1 A 25 25 SER H H 25 9.015 8.625 0.390 1
1 297 . 10 1 1 A 25 25 SER HA H 25 4.804 5.142 -0.338 1
1 300 . 10 1 1 A 25 25 SER C C 25 175.005 174.361 0.644 1
1 301 . 10 1 1 A 25 25 SER CA C 25 57.752 57.261 0.491 1
1 302 . 10 1 1 A 25 25 SER CB C 25 64.687 66.130 -1.443 1
1 303 . 10 1 1 A 25 25 SER N N 25 119.720 114.113 5.607 1
1 304 . 10 1 1 A 26 26 GLN H H 26 8.662 8.673 -0.011 1
1 305 . 10 1 1 A 26 26 GLN HA H 26 3.162 4.300 -1.138 1
1 312 . 10 1 1 A 26 26 GLN C C 26 177.736 177.312 0.424 1
1 313 . 10 1 1 A 26 26 GLN CA C 26 58.643 56.698 1.945 1
1 314 . 10 1 1 A 26 26 GLN CB C 26 27.352 28.537 -1.185 1
1 316 . 10 1 1 A 26 26 GLN N N 26 120.247 123.379 -3.132 1
1 318 . 10 1 1 A 27 27 GLU H H 27 8.244 8.021 0.223 1
1 319 . 10 1 1 A 27 27 GLU HA H 27 3.886 4.048 -0.162 1
1 324 . 10 1 1 A 27 27 GLU C C 27 176.177 177.634 -1.457 1
1 325 . 10 1 1 A 27 27 GLU CA C 27 57.807 58.159 -0.352 1
1 326 . 10 1 1 A 27 27 GLU CB C 27 28.583 29.594 -1.011 1
1 328 . 10 1 1 A 27 27 GLU N N 27 117.869 120.694 -2.825 1
1 329 . 10 1 1 A 28 28 ALA H H 28 7.451 7.524 -0.073 1
1 330 . 10 1 1 A 28 28 ALA HA H 28 4.070 4.381 -0.311 1
1 334 . 10 1 1 A 28 28 ALA C C 28 176.063 176.803 -0.740 1
1 335 . 10 1 1 A 28 28 ALA CA C 28 51.945 52.069 -0.124 1
1 336 . 10 1 1 A 28 28 ALA CB C 28 18.113 18.838 -0.725 1
1 337 . 10 1 1 A 28 28 ALA N N 28 120.356 120.442 -0.086 1
1 338 . 10 1 1 A 29 29 CYS H H 29 6.591 7.305 -0.714 1
1 339 . 10 1 1 A 29 29 CYS HA H 29 1.828 3.844 -2.016 1
1 342 . 10 1 1 A 29 29 CYS CA C 29 56.231 55.064 1.167 1
1 343 . 10 1 1 A 29 29 CYS CB C 29 27.778 27.255 0.523 1
1 344 . 10 1 1 A 29 29 CYS N N 29 121.588 119.047 2.541 1
1 345 . 10 1 1 A 30 30 PRO HA H 30 4.323 4.379 -0.056 1
1 352 . 10 1 1 A 30 30 PRO C C 30 175.515 175.563 -0.048 1
1 353 . 10 1 1 A 30 30 PRO CA C 30 63.382 63.522 -0.140 1
1 354 . 10 1 1 A 30 30 PRO CB C 30 31.551 32.048 -0.497 1
1 357 . 10 1 1 A 31 31 TYR H H 31 6.804 8.052 -1.248 1
1 358 . 10 1 1 A 31 31 TYR HA H 31 4.582 4.610 -0.028 1
1 365 . 10 1 1 A 31 31 TYR C C 31 174.785 175.745 -0.960 1
1 366 . 10 1 1 A 31 31 TYR CA C 31 58.348 59.418 -1.070 1
1 367 . 10 1 1 A 31 31 TYR CB C 31 41.030 39.813 1.217 1
1 372 . 10 1 1 A 31 31 TYR N N 31 118.903 120.810 -1.907 1
1 373 . 10 1 1 A 32 32 GLN H H 32 8.763 7.798 0.965 1
1 374 . 10 1 1 A 32 32 GLN HA H 32 4.344 4.704 -0.360 1
1 381 . 10 1 1 A 32 32 GLN C C 32 176.528 174.730 1.798 1
1 382 . 10 1 1 A 32 32 GLN CA C 32 55.996 54.854 1.142 1
1 383 . 10 1 1 A 32 32 GLN CB C 32 30.182 32.236 -2.054 1
1 385 . 10 1 1 A 32 32 GLN N N 32 120.327 114.273 6.054 1
1 387 . 10 1 1 A 33 33 GLN H H 33 8.230 8.781 -0.551 1
1 388 . 10 1 1 A 33 33 GLN HA H 33 4.262 4.427 -0.165 1
1 395 . 10 1 1 A 33 33 GLN C C 33 177.216 177.713 -0.497 1
1 396 . 10 1 1 A 33 33 GLN CA C 33 56.931 57.616 -0.685 1
1 397 . 10 1 1 A 33 33 GLN CB C 33 28.699 29.282 -0.583 1
1 399 . 10 1 1 A 33 33 GLN N N 33 121.712 121.558 0.154 1
1 401 . 10 1 1 A 34 34 VAL H H 34 8.484 8.026 0.458 1
1 402 . 10 1 1 A 34 34 VAL HA H 34 3.551 3.561 -0.010 1
1 410 . 10 1 1 A 34 34 VAL C C 34 177.685 177.593 0.092 1
1 411 . 10 1 1 A 34 34 VAL CA C 34 66.570 66.506 0.064 1
1 412 . 10 1 1 A 34 34 VAL CB C 34 31.946 31.685 0.261 1
1 415 . 10 1 1 A 34 34 VAL N N 34 122.145 120.241 1.904 1
1 416 . 10 1 1 A 35 35 ASP H H 35 8.324 8.340 -0.016 1
1 417 . 10 1 1 A 35 35 ASP HA H 35 4.434 4.446 -0.012 1
1 420 . 10 1 1 A 35 35 ASP C C 35 177.892 178.674 -0.782 1
1 421 . 10 1 1 A 35 35 ASP CA C 35 56.826 57.492 -0.666 1
1 422 . 10 1 1 A 35 35 ASP CB C 35 38.807 40.636 -1.829 1
1 423 . 10 1 1 A 35 35 ASP N N 35 120.937 119.729 1.208 1
1 424 . 10 1 1 A 36 36 ALA H H 36 8.431 8.192 0.239 1
1 425 . 10 1 1 A 36 36 ALA HA H 36 3.598 4.164 -0.566 1
1 429 . 10 1 1 A 36 36 ALA C C 36 178.949 179.605 -0.656 1
1 430 . 10 1 1 A 36 36 ALA CA C 36 55.327 55.150 0.177 1
1 431 . 10 1 1 A 36 36 ALA CB C 36 17.371 18.220 -0.849 1
1 432 . 10 1 1 A 36 36 ALA N N 36 126.210 122.409 3.801 1
1 433 . 10 1 1 A 37 37 ARG H H 37 8.458 8.170 0.288 1
1 434 . 10 1 1 A 37 37 ARG HA H 37 3.857 4.157 -0.300 1
1 442 . 10 1 1 A 37 37 ARG C C 37 177.746 179.001 -1.255 1
1 443 . 10 1 1 A 37 37 ARG CA C 37 60.636 59.599 1.037 1
1 444 . 10 1 1 A 37 37 ARG CB C 37 29.931 29.977 -0.046 1
1 447 . 10 1 1 A 37 37 ARG N N 37 116.717 119.988 -3.271 1
1 449 . 10 1 1 A 38 38 SER H H 38 8.173 7.914 0.259 1
1 450 . 10 1 1 A 38 38 SER HA H 38 4.130 4.248 -0.118 1
1 451 . 10 1 1 A 38 38 SER C C 38 178.293 175.278 3.015 1
1 452 . 10 1 1 A 38 38 SER CA C 38 62.627 61.822 0.805 1
1 453 . 10 1 1 A 38 38 SER N N 38 114.110 116.675 -2.565 1
1 454 . 10 1 1 A 39 39 TYR H H 39 8.343 7.566 0.777 1
1 455 . 10 1 1 A 39 39 TYR HA H 39 4.213 4.516 -0.303 1
1 462 . 10 1 1 A 39 39 TYR C C 39 178.701 178.348 0.353 1
1 463 . 10 1 1 A 39 39 TYR CA C 39 62.466 60.291 2.175 1
1 464 . 10 1 1 A 39 39 TYR CB C 39 38.687 39.498 -0.811 1
1 469 . 10 1 1 A 39 39 TYR N N 39 123.318 118.462 4.856 1
1 470 . 10 1 1 A 40 40 TRP H H 40 8.818 8.676 0.142 1
1 471 . 10 1 1 A 40 40 TRP HA H 40 4.586 4.651 -0.065 1
1 480 . 10 1 1 A 40 40 TRP C C 40 179.359 178.072 1.287 1
1 481 . 10 1 1 A 40 40 TRP CA C 40 61.953 60.596 1.357 1
1 482 . 10 1 1 A 40 40 TRP CB C 40 31.349 29.893 1.456 1
1 488 . 10 1 1 A 40 40 TRP N N 40 123.286 122.281 1.005 1
1 490 . 10 1 1 A 41 41 LEU H H 41 9.368 8.228 1.140 1
1 491 . 10 1 1 A 41 41 LEU HA H 41 4.405 4.247 0.158 1
1 501 . 10 1 1 A 41 41 LEU C C 41 179.498 178.868 0.630 1
1 502 . 10 1 1 A 41 41 LEU CA C 41 58.206 57.783 0.423 1
1 503 . 10 1 1 A 41 41 LEU CB C 41 41.754 41.959 -0.205 1
1 507 . 10 1 1 A 41 41 LEU N N 41 119.265 120.858 -1.593 1
1 508 . 10 1 1 A 42 42 GLY H H 42 8.283 8.216 0.067 1
1 509 . 10 1 1 A 42 42 GLY HA2 H 42 3.857 3.821 0.036 1
1 510 . 10 1 1 A 42 42 GLY HA3 H 42 3.929 3.853 0.076 1
1 511 . 10 1 1 A 42 42 GLY C C 42 176.508 176.756 -0.248 1
1 512 . 10 1 1 A 42 42 GLY CA C 42 47.412 47.501 -0.089 1
1 513 . 10 1 1 A 42 42 GLY N N 42 108.413 106.999 1.414 1
1 514 . 10 1 1 A 43 43 GLY H H 43 8.181 8.185 -0.004 1
1 515 . 10 1 1 A 43 43 GLY HA2 H 43 4.124 3.785 0.339 1
1 516 . 10 1 1 A 43 43 GLY HA3 H 43 4.258 3.804 0.454 1
1 517 . 10 1 1 A 43 43 GLY C C 43 174.891 175.599 -0.708 1
1 518 . 10 1 1 A 43 43 GLY CA C 43 47.341 47.024 0.317 1
1 519 . 10 1 1 A 43 43 GLY N N 43 109.904 109.002 0.902 1
1 520 . 10 1 1 A 44 44 TRP H H 44 8.460 8.147 0.313 1
1 521 . 10 1 1 A 44 44 TRP HA H 44 3.578 4.348 -0.770 1
1 530 . 10 1 1 A 44 44 TRP C C 44 178.547 177.960 0.587 1
1 531 . 10 1 1 A 44 44 TRP CA C 44 62.646 60.024 2.622 1
1 532 . 10 1 1 A 44 44 TRP CB C 44 29.467 29.481 -0.014 1
1 538 . 10 1 1 A 44 44 TRP N N 44 124.152 124.180 -0.028 1
1 540 . 10 1 1 A 45 45 ARG H H 45 8.759 8.497 0.262 1
1 541 . 10 1 1 A 45 45 ARG HA H 45 3.669 3.851 -0.182 1
1 549 . 10 1 1 A 45 45 ARG C C 45 178.784 177.784 1.000 1
1 550 . 10 1 1 A 45 45 ARG CA C 45 59.785 59.365 0.420 1
1 551 . 10 1 1 A 45 45 ARG CB C 45 30.295 29.874 0.421 1
1 554 . 10 1 1 A 45 45 ARG N N 45 118.655 119.951 -1.296 1
1 556 . 10 1 1 A 46 46 ASP H H 46 8.084 8.341 -0.257 1
1 557 . 10 1 1 A 46 46 ASP HA H 46 4.362 4.231 0.131 1
1 560 . 10 1 1 A 46 46 ASP C C 46 178.818 177.971 0.847 1
1 561 . 10 1 1 A 46 46 ASP CA C 46 57.518 57.562 -0.044 1
1 562 . 10 1 1 A 46 46 ASP CB C 46 39.752 41.979 -2.227 1
1 563 . 10 1 1 A 46 46 ASP N N 46 120.646 119.420 1.226 1
1 564 . 10 1 1 A 47 47 ALA H H 47 7.873 7.697 0.176 1
1 565 . 10 1 1 A 47 47 ALA HA H 47 3.627 3.616 0.011 1
1 569 . 10 1 1 A 47 47 ALA C C 47 179.397 179.663 -0.266 1
1 570 . 10 1 1 A 47 47 ALA CA C 47 54.962 54.818 0.144 1
1 571 . 10 1 1 A 47 47 ALA CB C 47 18.940 17.324 1.616 1
1 572 . 10 1 1 A 47 47 ALA N N 47 122.126 120.739 1.387 1
1 573 . 10 1 1 A 48 48 ARG H H 48 7.587 7.455 0.132 1
1 574 . 10 1 1 A 48 48 ARG HA H 48 3.538 3.736 -0.198 1
1 582 . 10 1 1 A 48 48 ARG C C 48 178.647 178.527 0.120 1
1 583 . 10 1 1 A 48 48 ARG CA C 48 57.880 59.439 -1.559 1
1 584 . 10 1 1 A 48 48 ARG CB C 48 28.753 29.679 -0.926 1
1 587 . 10 1 1 A 48 48 ARG N N 48 117.721 117.655 0.066 1
1 589 . 10 1 1 A 49 49 ASP H H 49 8.249 8.556 -0.307 1
1 590 . 10 1 1 A 49 49 ASP HA H 49 4.383 4.378 0.005 1
1 593 . 10 1 1 A 49 49 ASP C C 49 178.360 178.370 -0.010 1
1 594 . 10 1 1 A 49 49 ASP CA C 49 56.330 56.779 -0.449 1
1 595 . 10 1 1 A 49 49 ASP CB C 49 40.401 41.152 -0.751 1
1 596 . 10 1 1 A 49 49 ASP N N 49 119.997 119.620 0.377 1
1 597 . 10 1 1 A 50 50 GLU H H 50 8.060 7.457 0.603 1
1 598 . 10 1 1 A 50 50 GLU HA H 50 4.007 4.056 -0.049 1
1 603 . 10 1 1 A 50 50 GLU C C 50 178.675 177.921 0.754 1
1 604 . 10 1 1 A 50 50 GLU CA C 50 58.740 58.735 0.005 1
1 605 . 10 1 1 A 50 50 GLU CB C 50 29.585 29.722 -0.137 1
1 607 . 10 1 1 A 50 50 GLU N N 50 121.823 118.856 2.967 1
1 608 . 10 1 1 A 51 51 LYS H H 51 8.089 7.533 0.556 1
1 609 . 10 1 1 A 51 51 LYS HA H 51 4.057 4.350 -0.293 1
1 618 . 10 1 1 A 51 51 LYS C C 51 178.241 178.242 -0.001 1
1 619 . 10 1 1 A 51 51 LYS CA C 51 57.727 56.531 1.196 1
1 620 . 10 1 1 A 51 51 LYS CB C 51 32.090 32.727 -0.637 1
1 624 . 10 1 1 A 51 51 LYS N N 51 119.415 117.516 1.899 1
1 625 . 10 1 1 A 52 52 GLN H H 52 8.043 7.848 0.195 1
1 626 . 10 1 1 A 52 52 GLN HA H 52 4.189 4.152 0.037 1
1 633 . 10 1 1 A 52 52 GLN C C 52 176.965 177.498 -0.533 1
1 634 . 10 1 1 A 52 52 GLN CA C 52 56.977 58.268 -1.291 1
1 635 . 10 1 1 A 52 52 GLN CB C 52 28.858 29.156 -0.298 1
1 637 . 10 1 1 A 52 52 GLN N N 52 118.262 120.647 -2.385 1
1 639 . 10 1 1 A 53 53 SER H H 53 8.088 7.877 0.211 1
1 640 . 10 1 1 A 53 53 SER HA H 53 4.339 4.615 -0.276 1
1 643 . 10 1 1 A 53 53 SER C C 53 175.679 175.979 -0.300 1
1 644 . 10 1 1 A 53 53 SER CA C 53 59.492 58.310 1.182 1
1 645 . 10 1 1 A 53 53 SER CB C 53 63.849 63.478 0.371 1
1 646 . 10 1 1 A 53 53 SER N N 53 114.966 114.347 0.619 1
1 647 . 10 1 1 A 54 54 GLY H H 54 8.228 8.386 -0.158 1
1 648 . 10 1 1 A 54 54 GLY HA2 H 54 3.939 3.825 0.114 1
1 649 . 10 1 1 A 54 54 GLY HA3 H 54 3.867 3.829 0.038 1
1 650 . 10 1 1 A 54 54 GLY C C 54 174.591 175.348 -0.757 1
1 651 . 10 1 1 A 54 54 GLY CA C 54 45.776 47.281 -1.505 1
1 652 . 10 1 1 A 54 54 GLY N N 54 110.315 111.771 -1.456 1
1 653 . 10 1 1 A 55 55 LEU H H 55 7.846 7.743 0.103 1
1 654 . 10 1 1 A 55 55 LEU HA H 55 4.174 4.428 -0.254 1
1 664 . 10 1 1 A 55 55 LEU C C 55 177.315 176.610 0.705 1
1 665 . 10 1 1 A 55 55 LEU CA C 55 55.716 57.043 -1.327 1
1 666 . 10 1 1 A 55 55 LEU CB C 55 42.103 44.360 -2.257 1
1 670 . 10 1 1 A 55 55 LEU N N 55 121.456 122.474 -1.018 1
1 671 . 10 1 1 A 56 56 TYR H H 56 7.960 8.196 -0.236 1
1 672 . 10 1 1 A 56 56 TYR HA H 56 4.450 4.324 0.126 1
1 679 . 10 1 1 A 56 56 TYR C C 56 176.206 174.797 1.409 1
1 680 . 10 1 1 A 56 56 TYR CA C 56 58.242 59.274 -1.032 1
1 681 . 10 1 1 A 56 56 TYR CB C 56 38.478 37.699 0.779 1
1 686 . 10 1 1 A 56 56 TYR N N 56 119.665 119.075 0.590 1
1 687 . 10 1 1 A 57 57 LYS H H 57 8.015 8.409 -0.394 1
1 688 . 10 1 1 A 57 57 LYS HA H 57 4.154 4.088 0.066 1
1 697 . 10 1 1 A 57 57 LYS C C 57 176.553 176.320 0.233 1
1 698 . 10 1 1 A 57 57 LYS CA C 57 56.656 57.235 -0.579 1
1 699 . 10 1 1 A 57 57 LYS CB C 57 32.870 29.051 3.819 1
1 703 . 10 1 1 A 57 57 LYS N N 57 122.012 114.737 7.275 1
1 704 . 10 1 1 A 58 58 LEU H H 58 8.035 8.025 0.010 1
1 705 . 10 1 1 A 58 58 LEU HA H 58 4.185 4.244 -0.059 1
1 715 . 10 1 1 A 58 58 LEU C C 58 177.527 177.327 0.200 1
1 716 . 10 1 1 A 58 58 LEU CA C 58 55.574 58.359 -2.785 1
1 717 . 10 1 1 A 58 58 LEU CB C 58 42.175 42.208 -0.033 1
1 721 . 10 1 1 A 58 58 LEU N N 58 122.265 119.924 2.341 1
1 722 . 10 1 1 A 59 59 GLU H H 59 8.253 7.881 0.372 1
1 723 . 10 1 1 A 59 59 GLU HA H 59 4.123 4.508 -0.385 1
1 728 . 10 1 1 A 59 59 GLU C C 59 176.231 176.267 -0.036 1
1 729 . 10 1 1 A 59 59 GLU CA C 59 56.658 56.967 -0.309 1
1 730 . 10 1 1 A 59 59 GLU CB C 59 30.246 30.372 -0.126 1
1 732 . 10 1 1 A 59 59 GLU N N 59 120.313 118.519 1.794 1
1 7 . 11 1 1 A 2 2 LYS H H 2 8.138 7.737 0.401 1
1 8 . 11 1 1 A 2 2 LYS HA H 2 4.325 4.268 0.057 1
1 17 . 11 1 1 A 2 2 LYS C C 2 176.460 176.655 -0.195 1
1 18 . 11 1 1 A 2 2 LYS CA C 2 56.632 55.547 1.085 1
1 19 . 11 1 1 A 2 2 LYS CB C 2 33.087 31.457 1.630 1
1 23 . 11 1 1 A 2 2 LYS N N 2 125.275 121.135 4.140 1
1 24 . 11 1 1 A 3 3 ARG H H 3 8.624 8.531 0.093 1
1 25 . 11 1 1 A 3 3 ARG HA H 3 4.220 4.564 -0.344 1
1 32 . 11 1 1 A 3 3 ARG C C 3 176.426 175.983 0.443 1
1 33 . 11 1 1 A 3 3 ARG CA C 3 56.705 55.197 1.508 1
1 34 . 11 1 1 A 3 3 ARG CB C 3 30.577 30.706 -0.129 1
1 37 . 11 1 1 A 3 3 ARG N N 3 123.963 127.498 -3.535 1
1 38 . 11 1 1 A 4 4 GLN H H 4 8.613 8.039 0.574 1
1 39 . 11 1 1 A 4 4 GLN HA H 4 4.221 4.346 -0.125 1
1 46 . 11 1 1 A 4 4 GLN C C 4 176.604 175.925 0.679 1
1 47 . 11 1 1 A 4 4 GLN CA C 4 56.626 57.244 -0.618 1
1 48 . 11 1 1 A 4 4 GLN CB C 4 29.536 26.204 3.332 1
1 50 . 11 1 1 A 4 4 GLN N N 4 121.223 116.527 4.696 1
1 52 . 11 1 1 A 5 5 LYS H H 5 8.180 7.962 0.218 1
1 53 . 11 1 1 A 5 5 LYS HA H 5 4.161 4.010 0.151 1
1 62 . 11 1 1 A 5 5 LYS C C 5 176.971 178.788 -1.817 1
1 63 . 11 1 1 A 5 5 LYS CA C 5 57.367 59.086 -1.719 1
1 64 . 11 1 1 A 5 5 LYS CB C 5 32.873 32.046 0.827 1
1 68 . 11 1 1 A 5 5 LYS N N 5 122.464 117.126 5.338 1
1 69 . 11 1 1 A 6 6 ARG H H 6 8.345 7.818 0.527 1
1 70 . 11 1 1 A 6 6 ARG HA H 6 4.119 3.843 0.276 1
1 77 . 11 1 1 A 6 6 ARG C C 6 176.908 178.055 -1.147 1
1 78 . 11 1 1 A 6 6 ARG CA C 6 57.246 58.680 -1.434 1
1 79 . 11 1 1 A 6 6 ARG CB C 6 30.166 29.716 0.450 1
1 82 . 11 1 1 A 6 6 ARG N N 6 121.458 119.540 1.918 1
1 83 . 11 1 1 A 7 7 ASP H H 7 8.422 8.236 0.186 1
1 84 . 11 1 1 A 7 7 ASP HA H 7 4.414 4.242 0.172 1
1 87 . 11 1 1 A 7 7 ASP C C 7 177.562 178.280 -0.718 1
1 88 . 11 1 1 A 7 7 ASP CA C 7 55.809 57.482 -1.673 1
1 89 . 11 1 1 A 7 7 ASP CB C 7 41.064 40.145 0.919 1
1 90 . 11 1 1 A 7 7 ASP N N 7 120.954 119.767 1.187 1
1 91 . 11 1 1 A 8 8 ARG H H 8 8.061 7.967 0.094 1
1 92 . 11 1 1 A 8 8 ARG HA H 8 3.971 3.940 0.031 1
1 99 . 11 1 1 A 8 8 ARG C C 8 178.412 178.239 0.173 1
1 100 . 11 1 1 A 8 8 ARG CA C 8 59.160 58.377 0.783 1
1 101 . 11 1 1 A 8 8 ARG CB C 8 30.192 29.224 0.968 1
1 104 . 11 1 1 A 8 8 ARG N N 8 119.853 117.703 2.150 1
1 105 . 11 1 1 A 9 9 LEU H H 9 7.801 7.608 0.193 1
1 106 . 11 1 1 A 9 9 LEU HA H 9 3.727 3.959 -0.232 1
1 116 . 11 1 1 A 9 9 LEU C C 9 178.182 178.407 -0.225 1
1 117 . 11 1 1 A 9 9 LEU CA C 9 57.192 57.489 -0.297 1
1 118 . 11 1 1 A 9 9 LEU CB C 9 38.370 41.026 -2.656 1
1 122 . 11 1 1 A 9 9 LEU N N 9 121.052 121.034 0.018 1
1 123 . 11 1 1 A 10 10 GLU H H 10 8.172 8.315 -0.143 1
1 124 . 11 1 1 A 10 10 GLU HA H 10 4.014 4.058 -0.044 1
1 129 . 11 1 1 A 10 10 GLU C C 10 180.022 178.832 1.190 1
1 130 . 11 1 1 A 10 10 GLU CA C 10 59.504 58.861 0.643 1
1 131 . 11 1 1 A 10 10 GLU CB C 10 29.451 28.971 0.480 1
1 133 . 11 1 1 A 10 10 GLU N N 10 120.463 118.754 1.709 1
1 134 . 11 1 1 A 11 11 ARG H H 11 8.202 7.510 0.692 1
1 135 . 11 1 1 A 11 11 ARG HA H 11 4.117 4.037 0.080 1
1 142 . 11 1 1 A 11 11 ARG C C 11 178.321 179.495 -1.174 1
1 143 . 11 1 1 A 11 11 ARG CA C 11 59.328 58.987 0.341 1
1 144 . 11 1 1 A 11 11 ARG CB C 11 29.798 29.305 0.493 1
1 147 . 11 1 1 A 11 11 ARG N N 11 119.987 119.219 0.768 1
1 148 . 11 1 1 A 12 12 ALA H H 12 7.661 8.217 -0.556 1
1 149 . 11 1 1 A 12 12 ALA HA H 12 4.603 4.243 0.360 1
1 153 . 11 1 1 A 12 12 ALA C C 12 179.757 180.099 -0.342 1
1 154 . 11 1 1 A 12 12 ALA CA C 12 55.536 55.031 0.505 1
1 155 . 11 1 1 A 12 12 ALA CB C 12 18.423 18.408 0.015 1
1 156 . 11 1 1 A 12 12 ALA N N 12 122.208 122.443 -0.235 1
1 157 . 11 1 1 A 13 13 GLN H H 13 8.205 8.161 0.044 1
1 158 . 11 1 1 A 13 13 GLN HA H 13 4.332 4.391 -0.059 1
1 165 . 11 1 1 A 13 13 GLN C C 13 178.128 178.171 -0.043 1
1 166 . 11 1 1 A 13 13 GLN CA C 13 59.565 59.183 0.382 1
1 167 . 11 1 1 A 13 13 GLN CB C 13 29.572 28.598 0.974 1
1 169 . 11 1 1 A 13 13 GLN N N 13 118.449 119.884 -1.435 1
1 171 . 11 1 1 A 14 14 SER H H 14 8.245 7.907 0.338 1
1 172 . 11 1 1 A 14 14 SER HA H 14 4.281 4.283 -0.002 1
1 175 . 11 1 1 A 14 14 SER C C 14 177.751 177.239 0.512 1
1 176 . 11 1 1 A 14 14 SER CA C 14 61.583 61.340 0.243 1
1 177 . 11 1 1 A 14 14 SER CB C 14 62.897 62.786 0.111 1
1 178 . 11 1 1 A 14 14 SER N N 14 115.275 114.609 0.666 1
1 179 . 11 1 1 A 15 15 GLN H H 15 8.686 8.400 0.286 1
1 180 . 11 1 1 A 15 15 GLN HA H 15 4.124 4.091 0.033 1
1 187 . 11 1 1 A 15 15 GLN C C 15 179.621 178.527 1.094 1
1 188 . 11 1 1 A 15 15 GLN CA C 15 58.803 59.571 -0.768 1
1 189 . 11 1 1 A 15 15 GLN CB C 15 28.201 28.398 -0.197 1
1 191 . 11 1 1 A 15 15 GLN N N 15 121.722 120.746 0.976 1
1 193 . 11 1 1 A 16 16 GLY H H 16 8.439 8.734 -0.295 1
1 194 . 11 1 1 A 16 16 GLY HA2 H 16 1.849 2.727 -0.878 1
1 195 . 11 1 1 A 16 16 GLY HA3 H 16 3.742 2.981 0.761 1
1 196 . 11 1 1 A 16 16 GLY C C 16 175.080 175.108 -0.028 1
1 197 . 11 1 1 A 16 16 GLY CA C 16 45.784 46.573 -0.789 1
1 198 . 11 1 1 A 16 16 GLY N N 16 113.363 106.617 6.746 1
1 199 . 11 1 1 A 17 17 TYR H H 17 8.167 7.882 0.285 1
1 200 . 11 1 1 A 17 17 TYR HA H 17 4.014 3.935 0.079 1
1 207 . 11 1 1 A 17 17 TYR C C 17 177.200 177.721 -0.521 1
1 208 . 11 1 1 A 17 17 TYR CA C 17 60.567 61.059 -0.492 1
1 209 . 11 1 1 A 17 17 TYR CB C 17 38.755 38.875 -0.120 1
1 214 . 11 1 1 A 17 17 TYR N N 17 123.123 123.570 -0.447 1
1 215 . 11 1 1 A 18 18 LYS H H 18 8.003 7.898 0.105 1
1 216 . 11 1 1 A 18 18 LYS HA H 18 3.681 4.138 -0.457 1
1 225 . 11 1 1 A 18 18 LYS C C 18 178.838 178.310 0.528 1
1 226 . 11 1 1 A 18 18 LYS CA C 18 59.677 59.038 0.639 1
1 227 . 11 1 1 A 18 18 LYS CB C 18 32.393 31.893 0.500 1
1 231 . 11 1 1 A 18 18 LYS N N 18 117.920 119.209 -1.289 1
1 232 . 11 1 1 A 19 19 ALA H H 19 8.067 8.157 -0.090 1
1 233 . 11 1 1 A 19 19 ALA HA H 19 4.194 4.272 -0.078 1
1 237 . 11 1 1 A 19 19 ALA C C 19 180.263 179.665 0.598 1
1 238 . 11 1 1 A 19 19 ALA CA C 19 55.349 54.547 0.802 1
1 239 . 11 1 1 A 19 19 ALA CB C 19 19.039 18.617 0.422 1
1 240 . 11 1 1 A 19 19 ALA N N 19 120.778 121.788 -1.010 1
1 241 . 11 1 1 A 20 20 GLY H H 20 8.527 8.140 0.387 1
1 242 . 11 1 1 A 20 20 GLY HA2 H 20 3.101 2.843 0.258 1
1 243 . 11 1 1 A 20 20 GLY HA3 H 20 3.303 3.099 0.204 1
1 244 . 11 1 1 A 20 20 GLY C C 20 177.818 175.155 2.663 1
1 245 . 11 1 1 A 20 20 GLY CA C 20 47.102 46.265 0.837 1
1 246 . 11 1 1 A 20 20 GLY N N 20 107.003 106.598 0.405 1
1 247 . 11 1 1 A 21 21 LEU H H 21 8.310 7.361 0.949 1
1 248 . 11 1 1 A 21 21 LEU HA H 21 3.696 4.128 -0.432 1
1 258 . 11 1 1 A 21 21 LEU C C 21 178.603 178.248 0.355 1
1 259 . 11 1 1 A 21 21 LEU CA C 21 57.417 56.788 0.629 1
1 260 . 11 1 1 A 21 21 LEU CB C 21 41.798 43.352 -1.554 1
1 264 . 11 1 1 A 21 21 LEU N N 21 124.762 121.576 3.186 1
1 265 . 11 1 1 A 22 22 ASN H H 22 7.628 8.534 -0.906 1
1 266 . 11 1 1 A 22 22 ASN HA H 22 4.701 4.768 -0.067 1
1 271 . 11 1 1 A 22 22 ASN C C 22 175.456 177.834 -2.378 1
1 272 . 11 1 1 A 22 22 ASN CA C 22 53.292 55.126 -1.834 1
1 273 . 11 1 1 A 22 22 ASN CB C 22 39.188 39.057 0.131 1
1 274 . 11 1 1 A 22 22 ASN N N 22 114.867 116.485 -1.618 1
1 276 . 11 1 1 A 23 23 GLY H H 23 7.586 8.329 -0.743 1
1 277 . 11 1 1 A 23 23 GLY HA2 H 23 3.810 4.003 -0.193 1
1 278 . 11 1 1 A 23 23 GLY HA3 H 23 4.102 4.098 0.004 1
1 279 . 11 1 1 A 23 23 GLY C C 23 175.226 175.008 0.218 1
1 280 . 11 1 1 A 23 23 GLY CA C 23 46.302 45.911 0.391 1
1 281 . 11 1 1 A 23 23 GLY N N 23 106.650 107.077 -0.427 1
1 282 . 11 1 1 A 24 24 ARG H H 24 8.156 8.305 -0.149 1
1 283 . 11 1 1 A 24 24 ARG HA H 24 4.508 4.244 0.264 1
1 290 . 11 1 1 A 24 24 ARG C C 24 177.405 175.671 1.734 1
1 291 . 11 1 1 A 24 24 ARG CA C 24 55.103 58.305 -3.202 1
1 292 . 11 1 1 A 24 24 ARG CB C 24 30.537 30.177 0.360 1
1 295 . 11 1 1 A 24 24 ARG N N 24 118.161 120.035 -1.874 1
1 296 . 11 1 1 A 25 25 SER H H 25 9.015 8.780 0.235 1
1 297 . 11 1 1 A 25 25 SER HA H 25 4.804 5.186 -0.382 1
1 300 . 11 1 1 A 25 25 SER C C 25 175.005 174.229 0.776 1
1 301 . 11 1 1 A 25 25 SER CA C 25 57.752 57.228 0.524 1
1 302 . 11 1 1 A 25 25 SER CB C 25 64.687 66.201 -1.514 1
1 303 . 11 1 1 A 25 25 SER N N 25 119.720 113.439 6.281 1
1 304 . 11 1 1 A 26 26 GLN H H 26 8.662 8.376 0.286 1
1 305 . 11 1 1 A 26 26 GLN HA H 26 3.162 4.292 -1.130 1
1 312 . 11 1 1 A 26 26 GLN C C 26 177.736 177.173 0.563 1
1 313 . 11 1 1 A 26 26 GLN CA C 26 58.643 56.232 2.411 1
1 314 . 11 1 1 A 26 26 GLN CB C 26 27.352 29.126 -1.774 1
1 316 . 11 1 1 A 26 26 GLN N N 26 120.247 121.423 -1.176 1
1 318 . 11 1 1 A 27 27 GLU H H 27 8.244 8.195 0.049 1
1 319 . 11 1 1 A 27 27 GLU HA H 27 3.886 4.118 -0.232 1
1 324 . 11 1 1 A 27 27 GLU C C 27 176.177 177.492 -1.315 1
1 325 . 11 1 1 A 27 27 GLU CA C 27 57.807 58.089 -0.282 1
1 326 . 11 1 1 A 27 27 GLU CB C 27 28.583 29.252 -0.669 1
1 328 . 11 1 1 A 27 27 GLU N N 27 117.869 119.128 -1.259 1
1 329 . 11 1 1 A 28 28 ALA H H 28 7.451 7.542 -0.091 1
1 330 . 11 1 1 A 28 28 ALA HA H 28 4.070 4.315 -0.245 1
1 334 . 11 1 1 A 28 28 ALA C C 28 176.063 177.335 -1.272 1
1 335 . 11 1 1 A 28 28 ALA CA C 28 51.945 52.088 -0.143 1
1 336 . 11 1 1 A 28 28 ALA CB C 28 18.113 18.996 -0.883 1
1 337 . 11 1 1 A 28 28 ALA N N 28 120.356 120.861 -0.505 1
1 338 . 11 1 1 A 29 29 CYS H H 29 6.591 7.017 -0.426 1
1 339 . 11 1 1 A 29 29 CYS HA H 29 1.828 3.503 -1.675 1
1 342 . 11 1 1 A 29 29 CYS CA C 29 56.231 55.675 0.556 1
1 343 . 11 1 1 A 29 29 CYS CB C 29 27.778 27.698 0.080 1
1 344 . 11 1 1 A 29 29 CYS N N 29 121.588 119.463 2.125 1
1 345 . 11 1 1 A 30 30 PRO HA H 30 4.323 4.326 -0.003 1
1 352 . 11 1 1 A 30 30 PRO C C 30 175.515 175.642 -0.127 1
1 353 . 11 1 1 A 30 30 PRO CA C 30 63.382 63.923 -0.541 1
1 354 . 11 1 1 A 30 30 PRO CB C 30 31.551 31.557 -0.006 1
1 357 . 11 1 1 A 31 31 TYR H H 31 6.804 7.372 -0.568 1
1 358 . 11 1 1 A 31 31 TYR HA H 31 4.582 4.580 0.002 1
1 365 . 11 1 1 A 31 31 TYR C C 31 174.785 176.040 -1.255 1
1 366 . 11 1 1 A 31 31 TYR CA C 31 58.348 57.112 1.236 1
1 367 . 11 1 1 A 31 31 TYR CB C 31 41.030 39.878 1.152 1
1 372 . 11 1 1 A 31 31 TYR N N 31 118.903 118.096 0.807 1
1 373 . 11 1 1 A 32 32 GLN H H 32 8.763 9.012 -0.249 1
1 374 . 11 1 1 A 32 32 GLN HA H 32 4.344 4.271 0.073 1
1 381 . 11 1 1 A 32 32 GLN C C 32 176.528 175.693 0.835 1
1 382 . 11 1 1 A 32 32 GLN CA C 32 55.996 56.403 -0.407 1
1 383 . 11 1 1 A 32 32 GLN CB C 32 30.182 28.372 1.810 1
1 385 . 11 1 1 A 32 32 GLN N N 32 120.327 123.320 -2.993 1
1 387 . 11 1 1 A 33 33 GLN H H 33 8.230 8.889 -0.659 1
1 388 . 11 1 1 A 33 33 GLN HA H 33 4.262 4.428 -0.166 1
1 395 . 11 1 1 A 33 33 GLN C C 33 177.216 178.062 -0.846 1
1 396 . 11 1 1 A 33 33 GLN CA C 33 56.931 57.310 -0.379 1
1 397 . 11 1 1 A 33 33 GLN CB C 33 28.699 30.174 -1.475 1
1 399 . 11 1 1 A 33 33 GLN N N 33 121.712 121.726 -0.014 1
1 401 . 11 1 1 A 34 34 VAL H H 34 8.484 8.022 0.462 1
1 402 . 11 1 1 A 34 34 VAL HA H 34 3.551 3.531 0.020 1
1 410 . 11 1 1 A 34 34 VAL C C 34 177.685 177.783 -0.098 1
1 411 . 11 1 1 A 34 34 VAL CA C 34 66.570 66.093 0.477 1
1 412 . 11 1 1 A 34 34 VAL CB C 34 31.946 31.703 0.243 1
1 415 . 11 1 1 A 34 34 VAL N N 34 122.145 119.195 2.950 1
1 416 . 11 1 1 A 35 35 ASP H H 35 8.324 8.322 0.002 1
1 417 . 11 1 1 A 35 35 ASP HA H 35 4.434 4.463 -0.029 1
1 420 . 11 1 1 A 35 35 ASP C C 35 177.892 179.017 -1.125 1
1 421 . 11 1 1 A 35 35 ASP CA C 35 56.826 57.295 -0.469 1
1 422 . 11 1 1 A 35 35 ASP CB C 35 38.807 40.088 -1.281 1
1 423 . 11 1 1 A 35 35 ASP N N 35 120.937 119.553 1.384 1
1 424 . 11 1 1 A 36 36 ALA H H 36 8.431 8.429 0.002 1
1 425 . 11 1 1 A 36 36 ALA HA H 36 3.598 4.231 -0.633 1
1 429 . 11 1 1 A 36 36 ALA C C 36 178.949 180.417 -1.468 1
1 430 . 11 1 1 A 36 36 ALA CA C 36 55.327 55.669 -0.342 1
1 431 . 11 1 1 A 36 36 ALA CB C 36 17.371 18.340 -0.969 1
1 432 . 11 1 1 A 36 36 ALA N N 36 126.210 123.571 2.639 1
1 433 . 11 1 1 A 37 37 ARG H H 37 8.458 8.224 0.234 1
1 434 . 11 1 1 A 37 37 ARG HA H 37 3.857 4.264 -0.407 1
1 442 . 11 1 1 A 37 37 ARG C C 37 177.746 179.099 -1.353 1
1 443 . 11 1 1 A 37 37 ARG CA C 37 60.636 59.530 1.106 1
1 444 . 11 1 1 A 37 37 ARG CB C 37 29.931 29.920 0.011 1
1 447 . 11 1 1 A 37 37 ARG N N 37 116.717 118.136 -1.419 1
1 449 . 11 1 1 A 38 38 SER H H 38 8.173 7.902 0.271 1
1 450 . 11 1 1 A 38 38 SER HA H 38 4.130 4.192 -0.062 1
1 451 . 11 1 1 A 38 38 SER C C 38 178.293 175.324 2.969 1
1 452 . 11 1 1 A 38 38 SER CA C 38 62.627 62.209 0.418 1
1 453 . 11 1 1 A 38 38 SER N N 38 114.110 116.705 -2.595 1
1 454 . 11 1 1 A 39 39 TYR H H 39 8.343 7.538 0.805 1
1 455 . 11 1 1 A 39 39 TYR HA H 39 4.213 4.556 -0.343 1
1 462 . 11 1 1 A 39 39 TYR C C 39 178.701 178.583 0.118 1
1 463 . 11 1 1 A 39 39 TYR CA C 39 62.466 60.321 2.145 1
1 464 . 11 1 1 A 39 39 TYR CB C 39 38.687 39.394 -0.707 1
1 469 . 11 1 1 A 39 39 TYR N N 39 123.318 118.448 4.870 1
1 470 . 11 1 1 A 40 40 TRP H H 40 8.818 8.910 -0.092 1
1 471 . 11 1 1 A 40 40 TRP HA H 40 4.586 4.742 -0.156 1
1 480 . 11 1 1 A 40 40 TRP C C 40 179.359 178.173 1.186 1
1 481 . 11 1 1 A 40 40 TRP CA C 40 61.953 60.558 1.395 1
1 482 . 11 1 1 A 40 40 TRP CB C 40 31.349 29.835 1.514 1
1 488 . 11 1 1 A 40 40 TRP N N 40 123.286 121.865 1.421 1
1 490 . 11 1 1 A 41 41 LEU H H 41 9.368 8.491 0.877 1
1 491 . 11 1 1 A 41 41 LEU HA H 41 4.405 4.264 0.141 1
1 501 . 11 1 1 A 41 41 LEU C C 41 179.498 178.965 0.533 1
1 502 . 11 1 1 A 41 41 LEU CA C 41 58.206 57.401 0.805 1
1 503 . 11 1 1 A 41 41 LEU CB C 41 41.754 41.799 -0.045 1
1 507 . 11 1 1 A 41 41 LEU N N 41 119.265 121.029 -1.764 1
1 508 . 11 1 1 A 42 42 GLY H H 42 8.283 8.291 -0.008 1
1 509 . 11 1 1 A 42 42 GLY HA2 H 42 3.857 3.763 0.094 1
1 510 . 11 1 1 A 42 42 GLY HA3 H 42 3.929 3.776 0.153 1
1 511 . 11 1 1 A 42 42 GLY C C 42 176.508 176.696 -0.188 1
1 512 . 11 1 1 A 42 42 GLY CA C 42 47.412 47.547 -0.135 1
1 513 . 11 1 1 A 42 42 GLY N N 42 108.413 107.142 1.271 1
1 514 . 11 1 1 A 43 43 GLY H H 43 8.181 8.147 0.034 1
1 515 . 11 1 1 A 43 43 GLY HA2 H 43 4.124 3.854 0.270 1
1 516 . 11 1 1 A 43 43 GLY HA3 H 43 4.258 3.876 0.382 1
1 517 . 11 1 1 A 43 43 GLY C C 43 174.891 175.653 -0.762 1
1 518 . 11 1 1 A 43 43 GLY CA C 43 47.341 47.034 0.307 1
1 519 . 11 1 1 A 43 43 GLY N N 43 109.904 108.918 0.986 1
1 520 . 11 1 1 A 44 44 TRP H H 44 8.460 7.867 0.593 1
1 521 . 11 1 1 A 44 44 TRP HA H 44 3.578 4.107 -0.529 1
1 530 . 11 1 1 A 44 44 TRP C C 44 178.547 178.258 0.289 1
1 531 . 11 1 1 A 44 44 TRP CA C 44 62.646 60.070 2.576 1
1 532 . 11 1 1 A 44 44 TRP CB C 44 29.467 29.303 0.164 1
1 538 . 11 1 1 A 44 44 TRP N N 44 124.152 124.217 -0.065 1
1 540 . 11 1 1 A 45 45 ARG H H 45 8.759 8.590 0.169 1
1 541 . 11 1 1 A 45 45 ARG HA H 45 3.669 4.083 -0.414 1
1 549 . 11 1 1 A 45 45 ARG C C 45 178.784 178.362 0.422 1
1 550 . 11 1 1 A 45 45 ARG CA C 45 59.785 59.480 0.305 1
1 551 . 11 1 1 A 45 45 ARG CB C 45 30.295 29.891 0.404 1
1 554 . 11 1 1 A 45 45 ARG N N 45 118.655 118.242 0.413 1
1 556 . 11 1 1 A 46 46 ASP H H 46 8.084 8.059 0.025 1
1 557 . 11 1 1 A 46 46 ASP HA H 46 4.362 4.332 0.030 1
1 560 . 11 1 1 A 46 46 ASP C C 46 178.818 177.962 0.856 1
1 561 . 11 1 1 A 46 46 ASP CA C 46 57.518 57.522 -0.004 1
1 562 . 11 1 1 A 46 46 ASP CB C 46 39.752 41.533 -1.781 1
1 563 . 11 1 1 A 46 46 ASP N N 46 120.646 119.210 1.436 1
1 564 . 11 1 1 A 47 47 ALA H H 47 7.873 7.982 -0.109 1
1 565 . 11 1 1 A 47 47 ALA HA H 47 3.627 3.666 -0.039 1
1 569 . 11 1 1 A 47 47 ALA C C 47 179.397 178.960 0.437 1
1 570 . 11 1 1 A 47 47 ALA CA C 47 54.962 54.630 0.332 1
1 571 . 11 1 1 A 47 47 ALA CB C 47 18.940 17.659 1.281 1
1 572 . 11 1 1 A 47 47 ALA N N 47 122.126 121.039 1.087 1
1 573 . 11 1 1 A 48 48 ARG H H 48 7.587 7.481 0.106 1
1 574 . 11 1 1 A 48 48 ARG HA H 48 3.538 3.714 -0.176 1
1 582 . 11 1 1 A 48 48 ARG C C 48 178.647 177.970 0.677 1
1 583 . 11 1 1 A 48 48 ARG CA C 48 57.880 59.347 -1.467 1
1 584 . 11 1 1 A 48 48 ARG CB C 48 28.753 29.515 -0.762 1
1 587 . 11 1 1 A 48 48 ARG N N 48 117.721 118.266 -0.545 1
1 589 . 11 1 1 A 49 49 ASP H H 49 8.249 8.401 -0.152 1
1 590 . 11 1 1 A 49 49 ASP HA H 49 4.383 4.382 0.001 1
1 593 . 11 1 1 A 49 49 ASP C C 49 178.360 178.269 0.091 1
1 594 . 11 1 1 A 49 49 ASP CA C 49 56.330 56.568 -0.238 1
1 595 . 11 1 1 A 49 49 ASP CB C 49 40.401 41.043 -0.642 1
1 596 . 11 1 1 A 49 49 ASP N N 49 119.997 119.347 0.650 1
1 597 . 11 1 1 A 50 50 GLU H H 50 8.060 7.500 0.560 1
1 598 . 11 1 1 A 50 50 GLU HA H 50 4.007 4.143 -0.136 1
1 603 . 11 1 1 A 50 50 GLU C C 50 178.675 178.236 0.439 1
1 604 . 11 1 1 A 50 50 GLU CA C 50 58.740 58.580 0.160 1
1 605 . 11 1 1 A 50 50 GLU CB C 50 29.585 29.870 -0.285 1
1 607 . 11 1 1 A 50 50 GLU N N 50 121.823 118.951 2.872 1
1 608 . 11 1 1 A 51 51 LYS H H 51 8.089 7.617 0.472 1
1 609 . 11 1 1 A 51 51 LYS HA H 51 4.057 4.206 -0.149 1
1 618 . 11 1 1 A 51 51 LYS C C 51 178.241 177.677 0.564 1
1 619 . 11 1 1 A 51 51 LYS CA C 51 57.727 57.254 0.473 1
1 620 . 11 1 1 A 51 51 LYS CB C 51 32.090 32.233 -0.143 1
1 624 . 11 1 1 A 51 51 LYS N N 51 119.415 118.387 1.028 1
1 625 . 11 1 1 A 52 52 GLN H H 52 8.043 8.016 0.027 1
1 626 . 11 1 1 A 52 52 GLN HA H 52 4.189 4.222 -0.033 1
1 633 . 11 1 1 A 52 52 GLN C C 52 176.965 177.831 -0.866 1
1 634 . 11 1 1 A 52 52 GLN CA C 52 56.977 57.779 -0.802 1
1 635 . 11 1 1 A 52 52 GLN CB C 52 28.858 29.352 -0.494 1
1 637 . 11 1 1 A 52 52 GLN N N 52 118.262 120.649 -2.387 1
1 639 . 11 1 1 A 53 53 SER H H 53 8.088 7.866 0.222 1
1 640 . 11 1 1 A 53 53 SER HA H 53 4.339 4.773 -0.434 1
1 643 . 11 1 1 A 53 53 SER C C 53 175.679 175.571 0.108 1
1 644 . 11 1 1 A 53 53 SER CA C 53 59.492 58.520 0.972 1
1 645 . 11 1 1 A 53 53 SER CB C 53 63.849 63.794 0.055 1
1 646 . 11 1 1 A 53 53 SER N N 53 114.966 113.937 1.029 1
1 647 . 11 1 1 A 54 54 GLY H H 54 8.228 8.401 -0.173 1
1 648 . 11 1 1 A 54 54 GLY HA2 H 54 3.939 3.932 0.007 1
1 649 . 11 1 1 A 54 54 GLY HA3 H 54 3.867 3.942 -0.075 1
1 650 . 11 1 1 A 54 54 GLY C C 54 174.591 174.554 0.037 1
1 651 . 11 1 1 A 54 54 GLY CA C 54 45.776 46.648 -0.872 1
1 652 . 11 1 1 A 54 54 GLY N N 54 110.315 109.825 0.490 1
1 653 . 11 1 1 A 55 55 LEU H H 55 7.846 7.728 0.118 1
1 654 . 11 1 1 A 55 55 LEU HA H 55 4.174 4.593 -0.419 1
1 664 . 11 1 1 A 55 55 LEU C C 55 177.315 176.334 0.981 1
1 665 . 11 1 1 A 55 55 LEU CA C 55 55.716 54.343 1.373 1
1 666 . 11 1 1 A 55 55 LEU CB C 55 42.103 42.126 -0.023 1
1 670 . 11 1 1 A 55 55 LEU N N 55 121.456 116.536 4.920 1
1 671 . 11 1 1 A 56 56 TYR H H 56 7.960 7.720 0.240 1
1 672 . 11 1 1 A 56 56 TYR HA H 56 4.450 4.606 -0.156 1
1 679 . 11 1 1 A 56 56 TYR C C 56 176.206 175.747 0.459 1
1 680 . 11 1 1 A 56 56 TYR CA C 56 58.242 56.487 1.755 1
1 681 . 11 1 1 A 56 56 TYR CB C 56 38.478 36.889 1.589 1
1 686 . 11 1 1 A 56 56 TYR N N 56 119.665 121.638 -1.973 1
1 687 . 11 1 1 A 57 57 LYS H H 57 8.015 8.708 -0.693 1
1 688 . 11 1 1 A 57 57 LYS HA H 57 4.154 4.397 -0.243 1
1 697 . 11 1 1 A 57 57 LYS C C 57 176.553 175.926 0.627 1
1 698 . 11 1 1 A 57 57 LYS CA C 57 56.656 56.799 -0.143 1
1 699 . 11 1 1 A 57 57 LYS CB C 57 32.870 34.744 -1.874 1
1 703 . 11 1 1 A 57 57 LYS N N 57 122.012 120.420 1.592 1
1 704 . 11 1 1 A 58 58 LEU H H 58 8.035 7.633 0.402 1
1 705 . 11 1 1 A 58 58 LEU HA H 58 4.185 4.477 -0.292 1
1 715 . 11 1 1 A 58 58 LEU C C 58 177.527 176.141 1.386 1
1 716 . 11 1 1 A 58 58 LEU CA C 58 55.574 53.593 1.981 1
1 717 . 11 1 1 A 58 58 LEU CB C 58 42.175 43.636 -1.461 1
1 721 . 11 1 1 A 58 58 LEU N N 58 122.265 119.453 2.812 1
1 722 . 11 1 1 A 59 59 GLU H H 59 8.253 8.729 -0.476 1
1 723 . 11 1 1 A 59 59 GLU HA H 59 4.123 3.948 0.175 1
1 728 . 11 1 1 A 59 59 GLU C C 59 176.231 177.354 -1.123 1
1 729 . 11 1 1 A 59 59 GLU CA C 59 56.658 59.681 -3.023 1
1 730 . 11 1 1 A 59 59 GLU CB C 59 30.246 29.190 1.056 1
1 732 . 11 1 1 A 59 59 GLU N N 59 120.313 123.137 -2.824 1
1 7 . 12 1 1 A 2 2 LYS H H 2 8.138 8.670 -0.532 1
1 8 . 12 1 1 A 2 2 LYS HA H 2 4.325 4.856 -0.531 1
1 17 . 12 1 1 A 2 2 LYS C C 2 176.460 176.189 0.271 1
1 18 . 12 1 1 A 2 2 LYS CA C 2 56.632 54.479 2.153 1
1 19 . 12 1 1 A 2 2 LYS CB C 2 33.087 36.018 -2.931 1
1 23 . 12 1 1 A 2 2 LYS N N 2 125.275 123.047 2.228 1
1 24 . 12 1 1 A 3 3 ARG H H 3 8.624 8.987 -0.363 1
1 25 . 12 1 1 A 3 3 ARG HA H 3 4.220 3.933 0.287 1
1 32 . 12 1 1 A 3 3 ARG C C 3 176.426 174.905 1.521 1
1 33 . 12 1 1 A 3 3 ARG CA C 3 56.705 56.968 -0.263 1
1 34 . 12 1 1 A 3 3 ARG CB C 3 30.577 28.692 1.885 1
1 37 . 12 1 1 A 3 3 ARG N N 3 123.963 122.864 1.099 1
1 38 . 12 1 1 A 4 4 GLN H H 4 8.613 8.414 0.199 1
1 39 . 12 1 1 A 4 4 GLN HA H 4 4.221 4.772 -0.551 1
1 46 . 12 1 1 A 4 4 GLN C C 4 176.604 175.945 0.659 1
1 47 . 12 1 1 A 4 4 GLN CA C 4 56.626 53.960 2.666 1
1 48 . 12 1 1 A 4 4 GLN CB C 4 29.536 29.920 -0.384 1
1 50 . 12 1 1 A 4 4 GLN N N 4 121.223 121.977 -0.754 1
1 52 . 12 1 1 A 5 5 LYS H H 5 8.180 8.744 -0.564 1
1 53 . 12 1 1 A 5 5 LYS HA H 5 4.161 3.998 0.163 1
1 62 . 12 1 1 A 5 5 LYS C C 5 176.971 178.691 -1.720 1
1 63 . 12 1 1 A 5 5 LYS CA C 5 57.367 58.937 -1.570 1
1 64 . 12 1 1 A 5 5 LYS CB C 5 32.873 31.965 0.908 1
1 68 . 12 1 1 A 5 5 LYS N N 5 122.464 124.581 -2.117 1
1 69 . 12 1 1 A 6 6 ARG H H 6 8.345 7.854 0.491 1
1 70 . 12 1 1 A 6 6 ARG HA H 6 4.119 3.944 0.175 1
1 77 . 12 1 1 A 6 6 ARG C C 6 176.908 178.004 -1.096 1
1 78 . 12 1 1 A 6 6 ARG CA C 6 57.246 58.632 -1.386 1
1 79 . 12 1 1 A 6 6 ARG CB C 6 30.166 29.556 0.610 1
1 82 . 12 1 1 A 6 6 ARG N N 6 121.458 119.578 1.880 1
1 83 . 12 1 1 A 7 7 ASP H H 7 8.422 8.258 0.164 1
1 84 . 12 1 1 A 7 7 ASP HA H 7 4.414 4.236 0.178 1
1 87 . 12 1 1 A 7 7 ASP C C 7 177.562 178.076 -0.514 1
1 88 . 12 1 1 A 7 7 ASP CA C 7 55.809 57.199 -1.390 1
1 89 . 12 1 1 A 7 7 ASP CB C 7 41.064 42.001 -0.937 1
1 90 . 12 1 1 A 7 7 ASP N N 7 120.954 119.661 1.293 1
1 91 . 12 1 1 A 8 8 ARG H H 8 8.061 7.758 0.303 1
1 92 . 12 1 1 A 8 8 ARG HA H 8 3.971 3.971 0.000 1
1 99 . 12 1 1 A 8 8 ARG C C 8 178.412 178.357 0.055 1
1 100 . 12 1 1 A 8 8 ARG CA C 8 59.160 58.876 0.284 1
1 101 . 12 1 1 A 8 8 ARG CB C 8 30.192 29.857 0.335 1
1 104 . 12 1 1 A 8 8 ARG N N 8 119.853 119.387 0.466 1
1 105 . 12 1 1 A 9 9 LEU H H 9 7.801 7.491 0.310 1
1 106 . 12 1 1 A 9 9 LEU HA H 9 3.727 3.924 -0.197 1
1 116 . 12 1 1 A 9 9 LEU C C 9 178.182 178.485 -0.303 1
1 117 . 12 1 1 A 9 9 LEU CA C 9 57.192 56.788 0.404 1
1 118 . 12 1 1 A 9 9 LEU CB C 9 38.370 41.105 -2.735 1
1 122 . 12 1 1 A 9 9 LEU N N 9 121.052 119.470 1.582 1
1 123 . 12 1 1 A 10 10 GLU H H 10 8.172 8.430 -0.258 1
1 124 . 12 1 1 A 10 10 GLU HA H 10 4.014 4.081 -0.067 1
1 129 . 12 1 1 A 10 10 GLU C C 10 180.022 178.356 1.666 1
1 130 . 12 1 1 A 10 10 GLU CA C 10 59.504 58.867 0.637 1
1 131 . 12 1 1 A 10 10 GLU CB C 10 29.451 29.052 0.399 1
1 133 . 12 1 1 A 10 10 GLU N N 10 120.463 119.727 0.736 1
1 134 . 12 1 1 A 11 11 ARG H H 11 8.202 8.128 0.074 1
1 135 . 12 1 1 A 11 11 ARG HA H 11 4.117 4.073 0.044 1
1 142 . 12 1 1 A 11 11 ARG C C 11 178.321 178.760 -0.439 1
1 143 . 12 1 1 A 11 11 ARG CA C 11 59.328 58.782 0.546 1
1 144 . 12 1 1 A 11 11 ARG CB C 11 29.798 29.455 0.343 1
1 147 . 12 1 1 A 11 11 ARG N N 11 119.987 119.660 0.327 1
1 148 . 12 1 1 A 12 12 ALA H H 12 7.661 7.882 -0.221 1
1 149 . 12 1 1 A 12 12 ALA HA H 12 4.603 4.030 0.573 1
1 153 . 12 1 1 A 12 12 ALA C C 12 179.757 179.987 -0.230 1
1 154 . 12 1 1 A 12 12 ALA CA C 12 55.536 54.908 0.628 1
1 155 . 12 1 1 A 12 12 ALA CB C 12 18.423 18.147 0.276 1
1 156 . 12 1 1 A 12 12 ALA N N 12 122.208 122.084 0.124 1
1 157 . 12 1 1 A 13 13 GLN H H 13 8.205 8.067 0.138 1
1 158 . 12 1 1 A 13 13 GLN HA H 13 4.332 4.243 0.089 1
1 165 . 12 1 1 A 13 13 GLN C C 13 178.128 178.346 -0.218 1
1 166 . 12 1 1 A 13 13 GLN CA C 13 59.565 59.159 0.406 1
1 167 . 12 1 1 A 13 13 GLN CB C 13 29.572 28.570 1.002 1
1 169 . 12 1 1 A 13 13 GLN N N 13 118.449 119.694 -1.245 1
1 171 . 12 1 1 A 14 14 SER H H 14 8.245 7.813 0.432 1
1 172 . 12 1 1 A 14 14 SER HA H 14 4.281 4.190 0.091 1
1 175 . 12 1 1 A 14 14 SER C C 14 177.751 176.219 1.532 1
1 176 . 12 1 1 A 14 14 SER CA C 14 61.583 61.471 0.112 1
1 177 . 12 1 1 A 14 14 SER CB C 14 62.897 63.143 -0.246 1
1 178 . 12 1 1 A 14 14 SER N N 14 115.275 117.555 -2.280 1
1 179 . 12 1 1 A 15 15 GLN H H 15 8.686 8.608 0.078 1
1 180 . 12 1 1 A 15 15 GLN HA H 15 4.124 4.095 0.029 1
1 187 . 12 1 1 A 15 15 GLN C C 15 179.621 178.575 1.046 1
1 188 . 12 1 1 A 15 15 GLN CA C 15 58.803 59.334 -0.531 1
1 189 . 12 1 1 A 15 15 GLN CB C 15 28.201 28.310 -0.109 1
1 191 . 12 1 1 A 15 15 GLN N N 15 121.722 121.311 0.411 1
1 193 . 12 1 1 A 16 16 GLY H H 16 8.439 8.906 -0.467 1
1 194 . 12 1 1 A 16 16 GLY HA2 H 16 1.849 2.856 -1.007 1
1 195 . 12 1 1 A 16 16 GLY HA3 H 16 3.742 3.070 0.672 1
1 196 . 12 1 1 A 16 16 GLY C C 16 175.080 175.216 -0.136 1
1 197 . 12 1 1 A 16 16 GLY CA C 16 45.784 46.756 -0.972 1
1 198 . 12 1 1 A 16 16 GLY N N 16 113.363 106.938 6.425 1
1 199 . 12 1 1 A 17 17 TYR H H 17 8.167 7.845 0.322 1
1 200 . 12 1 1 A 17 17 TYR HA H 17 4.014 4.098 -0.084 1
1 207 . 12 1 1 A 17 17 TYR C C 17 177.200 177.646 -0.446 1
1 208 . 12 1 1 A 17 17 TYR CA C 17 60.567 60.735 -0.168 1
1 209 . 12 1 1 A 17 17 TYR CB C 17 38.755 38.654 0.101 1
1 214 . 12 1 1 A 17 17 TYR N N 17 123.123 123.504 -0.381 1
1 215 . 12 1 1 A 18 18 LYS H H 18 8.003 7.651 0.352 1
1 216 . 12 1 1 A 18 18 LYS HA H 18 3.681 4.156 -0.475 1
1 225 . 12 1 1 A 18 18 LYS C C 18 178.838 178.217 0.621 1
1 226 . 12 1 1 A 18 18 LYS CA C 18 59.677 58.689 0.988 1
1 227 . 12 1 1 A 18 18 LYS CB C 18 32.393 31.996 0.397 1
1 231 . 12 1 1 A 18 18 LYS N N 18 117.920 119.780 -1.860 1
1 232 . 12 1 1 A 19 19 ALA H H 19 8.067 8.187 -0.120 1
1 233 . 12 1 1 A 19 19 ALA HA H 19 4.194 4.263 -0.069 1
1 237 . 12 1 1 A 19 19 ALA C C 19 180.263 179.851 0.412 1
1 238 . 12 1 1 A 19 19 ALA CA C 19 55.349 54.558 0.791 1
1 239 . 12 1 1 A 19 19 ALA CB C 19 19.039 18.846 0.193 1
1 240 . 12 1 1 A 19 19 ALA N N 19 120.778 122.331 -1.553 1
1 241 . 12 1 1 A 20 20 GLY H H 20 8.527 8.038 0.489 1
1 242 . 12 1 1 A 20 20 GLY HA2 H 20 3.101 2.908 0.193 1
1 243 . 12 1 1 A 20 20 GLY HA3 H 20 3.303 3.156 0.147 1
1 244 . 12 1 1 A 20 20 GLY C C 20 177.818 175.477 2.341 1
1 245 . 12 1 1 A 20 20 GLY CA C 20 47.102 46.353 0.749 1
1 246 . 12 1 1 A 20 20 GLY N N 20 107.003 106.320 0.683 1
1 247 . 12 1 1 A 21 21 LEU H H 21 8.310 7.752 0.558 1
1 248 . 12 1 1 A 21 21 LEU HA H 21 3.696 4.116 -0.420 1
1 258 . 12 1 1 A 21 21 LEU C C 21 178.603 178.257 0.346 1
1 259 . 12 1 1 A 21 21 LEU CA C 21 57.417 57.116 0.301 1
1 260 . 12 1 1 A 21 21 LEU CB C 21 41.798 42.773 -0.975 1
1 264 . 12 1 1 A 21 21 LEU N N 21 124.762 121.882 2.880 1
1 265 . 12 1 1 A 22 22 ASN H H 22 7.628 8.541 -0.913 1
1 266 . 12 1 1 A 22 22 ASN HA H 22 4.701 4.774 -0.073 1
1 271 . 12 1 1 A 22 22 ASN C C 22 175.456 177.874 -2.418 1
1 272 . 12 1 1 A 22 22 ASN CA C 22 53.292 55.002 -1.710 1
1 273 . 12 1 1 A 22 22 ASN CB C 22 39.188 39.101 0.087 1
1 274 . 12 1 1 A 22 22 ASN N N 22 114.867 116.562 -1.695 1
1 276 . 12 1 1 A 23 23 GLY H H 23 7.586 8.377 -0.791 1
1 277 . 12 1 1 A 23 23 GLY HA2 H 23 3.810 3.980 -0.170 1
1 278 . 12 1 1 A 23 23 GLY HA3 H 23 4.102 4.072 0.030 1
1 279 . 12 1 1 A 23 23 GLY C C 23 175.226 174.875 0.351 1
1 280 . 12 1 1 A 23 23 GLY CA C 23 46.302 46.290 0.012 1
1 281 . 12 1 1 A 23 23 GLY N N 23 106.650 107.430 -0.780 1
1 282 . 12 1 1 A 24 24 ARG H H 24 8.156 8.299 -0.143 1
1 283 . 12 1 1 A 24 24 ARG HA H 24 4.508 4.222 0.286 1
1 290 . 12 1 1 A 24 24 ARG C C 24 177.405 175.701 1.704 1
1 291 . 12 1 1 A 24 24 ARG CA C 24 55.103 58.542 -3.439 1
1 292 . 12 1 1 A 24 24 ARG CB C 24 30.537 30.133 0.404 1
1 295 . 12 1 1 A 24 24 ARG N N 24 118.161 120.201 -2.040 1
1 296 . 12 1 1 A 25 25 SER H H 25 9.015 8.682 0.333 1
1 297 . 12 1 1 A 25 25 SER HA H 25 4.804 5.153 -0.349 1
1 300 . 12 1 1 A 25 25 SER C C 25 175.005 174.404 0.601 1
1 301 . 12 1 1 A 25 25 SER CA C 25 57.752 57.213 0.539 1
1 302 . 12 1 1 A 25 25 SER CB C 25 64.687 65.783 -1.096 1
1 303 . 12 1 1 A 25 25 SER N N 25 119.720 113.403 6.317 1
1 304 . 12 1 1 A 26 26 GLN H H 26 8.662 8.672 -0.010 1
1 305 . 12 1 1 A 26 26 GLN HA H 26 3.162 4.155 -0.993 1
1 312 . 12 1 1 A 26 26 GLN C C 26 177.736 177.773 -0.037 1
1 313 . 12 1 1 A 26 26 GLN CA C 26 58.643 57.881 0.762 1
1 314 . 12 1 1 A 26 26 GLN CB C 26 27.352 28.268 -0.916 1
1 316 . 12 1 1 A 26 26 GLN N N 26 120.247 123.442 -3.195 1
1 318 . 12 1 1 A 27 27 GLU H H 27 8.244 8.117 0.127 1
1 319 . 12 1 1 A 27 27 GLU HA H 27 3.886 4.008 -0.122 1
1 324 . 12 1 1 A 27 27 GLU C C 27 176.177 177.724 -1.547 1
1 325 . 12 1 1 A 27 27 GLU CA C 27 57.807 58.622 -0.815 1
1 326 . 12 1 1 A 27 27 GLU CB C 27 28.583 29.717 -1.134 1
1 328 . 12 1 1 A 27 27 GLU N N 27 117.869 120.258 -2.389 1
1 329 . 12 1 1 A 28 28 ALA H H 28 7.451 7.672 -0.221 1
1 330 . 12 1 1 A 28 28 ALA HA H 28 4.070 4.265 -0.195 1
1 334 . 12 1 1 A 28 28 ALA C C 28 176.063 176.480 -0.417 1
1 335 . 12 1 1 A 28 28 ALA CA C 28 51.945 52.327 -0.382 1
1 336 . 12 1 1 A 28 28 ALA CB C 28 18.113 18.623 -0.510 1
1 337 . 12 1 1 A 28 28 ALA N N 28 120.356 119.127 1.229 1
1 338 . 12 1 1 A 29 29 CYS H H 29 6.591 7.244 -0.653 1
1 339 . 12 1 1 A 29 29 CYS HA H 29 1.828 3.840 -2.012 1
1 342 . 12 1 1 A 29 29 CYS CA C 29 56.231 55.137 1.094 1
1 343 . 12 1 1 A 29 29 CYS CB C 29 27.778 27.113 0.665 1
1 344 . 12 1 1 A 29 29 CYS N N 29 121.588 118.973 2.615 1
1 345 . 12 1 1 A 30 30 PRO HA H 30 4.323 4.315 0.008 1
1 352 . 12 1 1 A 30 30 PRO C C 30 175.515 175.683 -0.168 1
1 353 . 12 1 1 A 30 30 PRO CA C 30 63.382 63.504 -0.122 1
1 354 . 12 1 1 A 30 30 PRO CB C 30 31.551 32.095 -0.544 1
1 357 . 12 1 1 A 31 31 TYR H H 31 6.804 7.844 -1.040 1
1 358 . 12 1 1 A 31 31 TYR HA H 31 4.582 4.580 0.002 1
1 365 . 12 1 1 A 31 31 TYR C C 31 174.785 175.742 -0.957 1
1 366 . 12 1 1 A 31 31 TYR CA C 31 58.348 59.373 -1.025 1
1 367 . 12 1 1 A 31 31 TYR CB C 31 41.030 39.554 1.476 1
1 372 . 12 1 1 A 31 31 TYR N N 31 118.903 120.639 -1.736 1
1 373 . 12 1 1 A 32 32 GLN H H 32 8.763 7.771 0.992 1
1 374 . 12 1 1 A 32 32 GLN HA H 32 4.344 4.704 -0.360 1
1 381 . 12 1 1 A 32 32 GLN C C 32 176.528 174.715 1.813 1
1 382 . 12 1 1 A 32 32 GLN CA C 32 55.996 54.832 1.164 1
1 383 . 12 1 1 A 32 32 GLN CB C 32 30.182 32.318 -2.136 1
1 385 . 12 1 1 A 32 32 GLN N N 32 120.327 115.008 5.319 1
1 387 . 12 1 1 A 33 33 GLN H H 33 8.230 8.805 -0.575 1
1 388 . 12 1 1 A 33 33 GLN HA H 33 4.262 4.395 -0.133 1
1 395 . 12 1 1 A 33 33 GLN C C 33 177.216 177.713 -0.497 1
1 396 . 12 1 1 A 33 33 GLN CA C 33 56.931 57.604 -0.673 1
1 397 . 12 1 1 A 33 33 GLN CB C 33 28.699 29.476 -0.777 1
1 399 . 12 1 1 A 33 33 GLN N N 33 121.712 121.606 0.106 1
1 401 . 12 1 1 A 34 34 VAL H H 34 8.484 8.125 0.359 1
1 402 . 12 1 1 A 34 34 VAL HA H 34 3.551 3.569 -0.018 1
1 410 . 12 1 1 A 34 34 VAL C C 34 177.685 177.528 0.157 1
1 411 . 12 1 1 A 34 34 VAL CA C 34 66.570 66.590 -0.020 1
1 412 . 12 1 1 A 34 34 VAL CB C 34 31.946 31.680 0.266 1
1 415 . 12 1 1 A 34 34 VAL N N 34 122.145 120.240 1.905 1
1 416 . 12 1 1 A 35 35 ASP H H 35 8.324 8.261 0.063 1
1 417 . 12 1 1 A 35 35 ASP HA H 35 4.434 4.486 -0.052 1
1 420 . 12 1 1 A 35 35 ASP C C 35 177.892 178.662 -0.770 1
1 421 . 12 1 1 A 35 35 ASP CA C 35 56.826 57.237 -0.411 1
1 422 . 12 1 1 A 35 35 ASP CB C 35 38.807 40.206 -1.399 1
1 423 . 12 1 1 A 35 35 ASP N N 35 120.937 119.252 1.685 1
1 424 . 12 1 1 A 36 36 ALA H H 36 8.431 8.226 0.205 1
1 425 . 12 1 1 A 36 36 ALA HA H 36 3.598 4.251 -0.653 1
1 429 . 12 1 1 A 36 36 ALA C C 36 178.949 179.640 -0.691 1
1 430 . 12 1 1 A 36 36 ALA CA C 36 55.327 55.258 0.069 1
1 431 . 12 1 1 A 36 36 ALA CB C 36 17.371 18.184 -0.813 1
1 432 . 12 1 1 A 36 36 ALA N N 36 126.210 122.945 3.265 1
1 433 . 12 1 1 A 37 37 ARG H H 37 8.458 8.310 0.148 1
1 434 . 12 1 1 A 37 37 ARG HA H 37 3.857 4.178 -0.321 1
1 442 . 12 1 1 A 37 37 ARG C C 37 177.746 178.704 -0.958 1
1 443 . 12 1 1 A 37 37 ARG CA C 37 60.636 59.476 1.160 1
1 444 . 12 1 1 A 37 37 ARG CB C 37 29.931 30.052 -0.121 1
1 447 . 12 1 1 A 37 37 ARG N N 37 116.717 119.420 -2.703 1
1 449 . 12 1 1 A 38 38 SER H H 38 8.173 7.930 0.243 1
1 450 . 12 1 1 A 38 38 SER HA H 38 4.130 4.163 -0.033 1
1 451 . 12 1 1 A 38 38 SER C C 38 178.293 176.091 2.202 1
1 452 . 12 1 1 A 38 38 SER CA C 38 62.627 62.427 0.200 1
1 453 . 12 1 1 A 38 38 SER N N 38 114.110 116.312 -2.202 1
1 454 . 12 1 1 A 39 39 TYR H H 39 8.343 7.731 0.612 1
1 455 . 12 1 1 A 39 39 TYR HA H 39 4.213 4.383 -0.170 1
1 462 . 12 1 1 A 39 39 TYR C C 39 178.701 178.837 -0.136 1
1 463 . 12 1 1 A 39 39 TYR CA C 39 62.466 60.907 1.559 1
1 464 . 12 1 1 A 39 39 TYR CB C 39 38.687 38.635 0.052 1
1 469 . 12 1 1 A 39 39 TYR N N 39 123.318 119.561 3.757 1
1 470 . 12 1 1 A 40 40 TRP H H 40 8.818 8.897 -0.079 1
1 471 . 12 1 1 A 40 40 TRP HA H 40 4.586 4.588 -0.002 1
1 480 . 12 1 1 A 40 40 TRP C C 40 179.359 178.333 1.026 1
1 481 . 12 1 1 A 40 40 TRP CA C 40 61.953 60.590 1.363 1
1 482 . 12 1 1 A 40 40 TRP CB C 40 31.349 29.959 1.390 1
1 488 . 12 1 1 A 40 40 TRP N N 40 123.286 122.531 0.755 1
1 490 . 12 1 1 A 41 41 LEU H H 41 9.368 8.362 1.006 1
1 491 . 12 1 1 A 41 41 LEU HA H 41 4.405 4.112 0.293 1
1 501 . 12 1 1 A 41 41 LEU C C 41 179.498 179.217 0.281 1
1 502 . 12 1 1 A 41 41 LEU CA C 41 58.206 57.700 0.506 1
1 503 . 12 1 1 A 41 41 LEU CB C 41 41.754 41.799 -0.045 1
1 507 . 12 1 1 A 41 41 LEU N N 41 119.265 119.839 -0.574 1
1 508 . 12 1 1 A 42 42 GLY H H 42 8.283 8.335 -0.052 1
1 509 . 12 1 1 A 42 42 GLY HA2 H 42 3.857 3.785 0.072 1
1 510 . 12 1 1 A 42 42 GLY HA3 H 42 3.929 3.802 0.127 1
1 511 . 12 1 1 A 42 42 GLY C C 42 176.508 176.558 -0.050 1
1 512 . 12 1 1 A 42 42 GLY CA C 42 47.412 47.532 -0.120 1
1 513 . 12 1 1 A 42 42 GLY N N 42 108.413 106.668 1.745 1
1 514 . 12 1 1 A 43 43 GLY H H 43 8.181 7.967 0.214 1
1 515 . 12 1 1 A 43 43 GLY HA2 H 43 4.124 3.837 0.287 1
1 516 . 12 1 1 A 43 43 GLY HA3 H 43 4.258 3.850 0.408 1
1 517 . 12 1 1 A 43 43 GLY C C 43 174.891 175.742 -0.851 1
1 518 . 12 1 1 A 43 43 GLY CA C 43 47.341 47.053 0.288 1
1 519 . 12 1 1 A 43 43 GLY N N 43 109.904 109.067 0.837 1
1 520 . 12 1 1 A 44 44 TRP H H 44 8.460 7.906 0.554 1
1 521 . 12 1 1 A 44 44 TRP HA H 44 3.578 4.195 -0.617 1
1 530 . 12 1 1 A 44 44 TRP C C 44 178.547 178.520 0.027 1
1 531 . 12 1 1 A 44 44 TRP CA C 44 62.646 59.787 2.859 1
1 532 . 12 1 1 A 44 44 TRP CB C 44 29.467 29.119 0.348 1
1 538 . 12 1 1 A 44 44 TRP N N 44 124.152 124.163 -0.011 1
1 540 . 12 1 1 A 45 45 ARG H H 45 8.759 8.408 0.351 1
1 541 . 12 1 1 A 45 45 ARG HA H 45 3.669 3.933 -0.264 1
1 549 . 12 1 1 A 45 45 ARG C C 45 178.784 178.195 0.589 1
1 550 . 12 1 1 A 45 45 ARG CA C 45 59.785 59.685 0.100 1
1 551 . 12 1 1 A 45 45 ARG CB C 45 30.295 30.029 0.266 1
1 554 . 12 1 1 A 45 45 ARG N N 45 118.655 118.847 -0.192 1
1 556 . 12 1 1 A 46 46 ASP H H 46 8.084 8.178 -0.094 1
1 557 . 12 1 1 A 46 46 ASP HA H 46 4.362 4.249 0.113 1
1 560 . 12 1 1 A 46 46 ASP C C 46 178.818 177.990 0.828 1
1 561 . 12 1 1 A 46 46 ASP CA C 46 57.518 57.583 -0.065 1
1 562 . 12 1 1 A 46 46 ASP CB C 46 39.752 41.907 -2.155 1
1 563 . 12 1 1 A 46 46 ASP N N 46 120.646 119.443 1.203 1
1 564 . 12 1 1 A 47 47 ALA H H 47 7.873 7.947 -0.074 1
1 565 . 12 1 1 A 47 47 ALA HA H 47 3.627 3.490 0.137 1
1 569 . 12 1 1 A 47 47 ALA C C 47 179.397 178.777 0.620 1
1 570 . 12 1 1 A 47 47 ALA CA C 47 54.962 54.658 0.304 1
1 571 . 12 1 1 A 47 47 ALA CB C 47 18.940 17.526 1.414 1
1 572 . 12 1 1 A 47 47 ALA N N 47 122.126 120.778 1.348 1
1 573 . 12 1 1 A 48 48 ARG H H 48 7.587 7.308 0.279 1
1 574 . 12 1 1 A 48 48 ARG HA H 48 3.538 3.778 -0.240 1
1 582 . 12 1 1 A 48 48 ARG C C 48 178.647 177.808 0.839 1
1 583 . 12 1 1 A 48 48 ARG CA C 48 57.880 59.190 -1.310 1
1 584 . 12 1 1 A 48 48 ARG CB C 48 28.753 29.654 -0.901 1
1 587 . 12 1 1 A 48 48 ARG N N 48 117.721 118.130 -0.409 1
1 589 . 12 1 1 A 49 49 ASP H H 49 8.249 8.283 -0.034 1
1 590 . 12 1 1 A 49 49 ASP HA H 49 4.383 4.333 0.050 1
1 593 . 12 1 1 A 49 49 ASP C C 49 178.360 176.747 1.613 1
1 594 . 12 1 1 A 49 49 ASP CA C 49 56.330 56.389 -0.059 1
1 595 . 12 1 1 A 49 49 ASP CB C 49 40.401 40.818 -0.417 1
1 596 . 12 1 1 A 49 49 ASP N N 49 119.997 119.326 0.671 1
1 597 . 12 1 1 A 50 50 GLU H H 50 8.060 7.502 0.558 1
1 598 . 12 1 1 A 50 50 GLU HA H 50 4.007 4.257 -0.250 1
1 603 . 12 1 1 A 50 50 GLU C C 50 178.675 178.527 0.148 1
1 604 . 12 1 1 A 50 50 GLU CA C 50 58.740 57.469 1.271 1
1 605 . 12 1 1 A 50 50 GLU CB C 50 29.585 30.070 -0.485 1
1 607 . 12 1 1 A 50 50 GLU N N 50 121.823 117.432 4.391 1
1 608 . 12 1 1 A 51 51 LYS H H 51 8.089 7.714 0.375 1
1 609 . 12 1 1 A 51 51 LYS HA H 51 4.057 4.027 0.030 1
1 618 . 12 1 1 A 51 51 LYS C C 51 178.241 178.280 -0.039 1
1 619 . 12 1 1 A 51 51 LYS CA C 51 57.727 58.883 -1.156 1
1 620 . 12 1 1 A 51 51 LYS CB C 51 32.090 31.779 0.311 1
1 624 . 12 1 1 A 51 51 LYS N N 51 119.415 120.984 -1.569 1
1 625 . 12 1 1 A 52 52 GLN H H 52 8.043 7.811 0.232 1
1 626 . 12 1 1 A 52 52 GLN HA H 52 4.189 4.184 0.005 1
1 633 . 12 1 1 A 52 52 GLN C C 52 176.965 177.539 -0.574 1
1 634 . 12 1 1 A 52 52 GLN CA C 52 56.977 58.060 -1.083 1
1 635 . 12 1 1 A 52 52 GLN CB C 52 28.858 29.088 -0.230 1
1 637 . 12 1 1 A 52 52 GLN N N 52 118.262 118.995 -0.733 1
1 639 . 12 1 1 A 53 53 SER H H 53 8.088 7.705 0.383 1
1 640 . 12 1 1 A 53 53 SER HA H 53 4.339 4.578 -0.239 1
1 643 . 12 1 1 A 53 53 SER C C 53 175.679 175.866 -0.187 1
1 644 . 12 1 1 A 53 53 SER CA C 53 59.492 58.624 0.868 1
1 645 . 12 1 1 A 53 53 SER CB C 53 63.849 64.092 -0.243 1
1 646 . 12 1 1 A 53 53 SER N N 53 114.966 113.241 1.725 1
1 647 . 12 1 1 A 54 54 GLY H H 54 8.228 8.501 -0.273 1
1 648 . 12 1 1 A 54 54 GLY HA2 H 54 3.939 3.870 0.069 1
1 649 . 12 1 1 A 54 54 GLY HA3 H 54 3.867 3.881 -0.014 1
1 650 . 12 1 1 A 54 54 GLY C C 54 174.591 175.821 -1.230 1
1 651 . 12 1 1 A 54 54 GLY CA C 54 45.776 46.658 -0.882 1
1 652 . 12 1 1 A 54 54 GLY N N 54 110.315 109.807 0.508 1
1 653 . 12 1 1 A 55 55 LEU H H 55 7.846 7.544 0.302 1
1 654 . 12 1 1 A 55 55 LEU HA H 55 4.174 4.059 0.115 1
1 664 . 12 1 1 A 55 55 LEU C C 55 177.315 176.605 0.710 1
1 665 . 12 1 1 A 55 55 LEU CA C 55 55.716 57.802 -2.086 1
1 666 . 12 1 1 A 55 55 LEU CB C 55 42.103 41.988 0.115 1
1 670 . 12 1 1 A 55 55 LEU N N 55 121.456 121.828 -0.372 1
1 671 . 12 1 1 A 56 56 TYR H H 56 7.960 7.806 0.154 1
1 672 . 12 1 1 A 56 56 TYR HA H 56 4.450 4.232 0.218 1
1 679 . 12 1 1 A 56 56 TYR C C 56 176.206 175.662 0.544 1
1 680 . 12 1 1 A 56 56 TYR CA C 56 58.242 58.735 -0.493 1
1 681 . 12 1 1 A 56 56 TYR CB C 56 38.478 36.608 1.870 1
1 686 . 12 1 1 A 56 56 TYR N N 56 119.665 118.617 1.048 1
1 687 . 12 1 1 A 57 57 LYS H H 57 8.015 8.138 -0.123 1
1 688 . 12 1 1 A 57 57 LYS HA H 57 4.154 4.422 -0.268 1
1 697 . 12 1 1 A 57 57 LYS C C 57 176.553 176.667 -0.114 1
1 698 . 12 1 1 A 57 57 LYS CA C 57 56.656 55.068 1.588 1
1 699 . 12 1 1 A 57 57 LYS CB C 57 32.870 33.141 -0.271 1
1 703 . 12 1 1 A 57 57 LYS N N 57 122.012 120.533 1.479 1
1 704 . 12 1 1 A 58 58 LEU H H 58 8.035 7.369 0.666 1
1 705 . 12 1 1 A 58 58 LEU HA H 58 4.185 3.863 0.322 1
1 715 . 12 1 1 A 58 58 LEU C C 58 177.527 176.462 1.065 1
1 716 . 12 1 1 A 58 58 LEU CA C 58 55.574 58.384 -2.810 1
1 717 . 12 1 1 A 58 58 LEU CB C 58 42.175 41.924 0.251 1
1 721 . 12 1 1 A 58 58 LEU N N 58 122.265 121.632 0.633 1
1 722 . 12 1 1 A 59 59 GLU H H 59 8.253 7.717 0.536 1
1 723 . 12 1 1 A 59 59 GLU HA H 59 4.123 3.983 0.140 1
1 728 . 12 1 1 A 59 59 GLU C C 59 176.231 174.957 1.274 1
1 729 . 12 1 1 A 59 59 GLU CA C 59 56.658 56.964 -0.306 1
1 730 . 12 1 1 A 59 59 GLU CB C 59 30.246 28.242 2.004 1
1 732 . 12 1 1 A 59 59 GLU N N 59 120.313 116.902 3.411 1
1 7 . 13 1 1 A 2 2 LYS H H 2 8.138 8.427 -0.289 1
1 8 . 13 1 1 A 2 2 LYS HA H 2 4.325 4.392 -0.067 1
1 17 . 13 1 1 A 2 2 LYS C C 2 176.460 176.553 -0.093 1
1 18 . 13 1 1 A 2 2 LYS CA C 2 56.632 57.697 -1.065 1
1 19 . 13 1 1 A 2 2 LYS CB C 2 33.087 33.840 -0.753 1
1 23 . 13 1 1 A 2 2 LYS N N 2 125.275 120.772 4.503 1
1 24 . 13 1 1 A 3 3 ARG H H 3 8.624 8.674 -0.050 1
1 25 . 13 1 1 A 3 3 ARG HA H 3 4.220 4.549 -0.329 1
1 32 . 13 1 1 A 3 3 ARG C C 3 176.426 176.607 -0.181 1
1 33 . 13 1 1 A 3 3 ARG CA C 3 56.705 55.463 1.242 1
1 34 . 13 1 1 A 3 3 ARG CB C 3 30.577 30.719 -0.142 1
1 37 . 13 1 1 A 3 3 ARG N N 3 123.963 119.177 4.786 1
1 38 . 13 1 1 A 4 4 GLN H H 4 8.613 7.940 0.673 1
1 39 . 13 1 1 A 4 4 GLN HA H 4 4.221 3.978 0.243 1
1 46 . 13 1 1 A 4 4 GLN C C 4 176.604 178.457 -1.853 1
1 47 . 13 1 1 A 4 4 GLN CA C 4 56.626 58.514 -1.888 1
1 48 . 13 1 1 A 4 4 GLN CB C 4 29.536 28.112 1.424 1
1 50 . 13 1 1 A 4 4 GLN N N 4 121.223 119.154 2.069 1
1 52 . 13 1 1 A 5 5 LYS H H 5 8.180 8.274 -0.094 1
1 53 . 13 1 1 A 5 5 LYS HA H 5 4.161 4.043 0.118 1
1 62 . 13 1 1 A 5 5 LYS C C 5 176.971 178.409 -1.438 1
1 63 . 13 1 1 A 5 5 LYS CA C 5 57.367 58.785 -1.418 1
1 64 . 13 1 1 A 5 5 LYS CB C 5 32.873 31.573 1.300 1
1 68 . 13 1 1 A 5 5 LYS N N 5 122.464 118.602 3.862 1
1 69 . 13 1 1 A 6 6 ARG H H 6 8.345 7.977 0.368 1
1 70 . 13 1 1 A 6 6 ARG HA H 6 4.119 4.079 0.040 1
1 77 . 13 1 1 A 6 6 ARG C C 6 176.908 177.967 -1.059 1
1 78 . 13 1 1 A 6 6 ARG CA C 6 57.246 58.203 -0.957 1
1 79 . 13 1 1 A 6 6 ARG CB C 6 30.166 30.222 -0.056 1
1 82 . 13 1 1 A 6 6 ARG N N 6 121.458 119.591 1.867 1
1 83 . 13 1 1 A 7 7 ASP H H 7 8.422 8.525 -0.103 1
1 84 . 13 1 1 A 7 7 ASP HA H 7 4.414 4.296 0.118 1
1 87 . 13 1 1 A 7 7 ASP C C 7 177.562 178.839 -1.277 1
1 88 . 13 1 1 A 7 7 ASP CA C 7 55.809 56.967 -1.158 1
1 89 . 13 1 1 A 7 7 ASP CB C 7 41.064 39.877 1.187 1
1 90 . 13 1 1 A 7 7 ASP N N 7 120.954 120.081 0.873 1
1 91 . 13 1 1 A 8 8 ARG H H 8 8.061 8.327 -0.266 1
1 92 . 13 1 1 A 8 8 ARG HA H 8 3.971 4.002 -0.031 1
1 99 . 13 1 1 A 8 8 ARG C C 8 178.412 177.435 0.977 1
1 100 . 13 1 1 A 8 8 ARG CA C 8 59.160 58.605 0.555 1
1 101 . 13 1 1 A 8 8 ARG CB C 8 30.192 29.761 0.431 1
1 104 . 13 1 1 A 8 8 ARG N N 8 119.853 117.781 2.072 1
1 105 . 13 1 1 A 9 9 LEU H H 9 7.801 7.624 0.177 1
1 106 . 13 1 1 A 9 9 LEU HA H 9 3.727 4.088 -0.361 1
1 116 . 13 1 1 A 9 9 LEU C C 9 178.182 178.414 -0.232 1
1 117 . 13 1 1 A 9 9 LEU CA C 9 57.192 55.613 1.579 1
1 118 . 13 1 1 A 9 9 LEU CB C 9 38.370 41.832 -3.462 1
1 122 . 13 1 1 A 9 9 LEU N N 9 121.052 119.628 1.424 1
1 123 . 13 1 1 A 10 10 GLU H H 10 8.172 8.135 0.037 1
1 124 . 13 1 1 A 10 10 GLU HA H 10 4.014 3.894 0.120 1
1 129 . 13 1 1 A 10 10 GLU C C 10 180.022 178.639 1.383 1
1 130 . 13 1 1 A 10 10 GLU CA C 10 59.504 59.188 0.316 1
1 131 . 13 1 1 A 10 10 GLU CB C 10 29.451 29.299 0.152 1
1 133 . 13 1 1 A 10 10 GLU N N 10 120.463 120.209 0.254 1
1 134 . 13 1 1 A 11 11 ARG H H 11 8.202 7.791 0.411 1
1 135 . 13 1 1 A 11 11 ARG HA H 11 4.117 4.000 0.117 1
1 142 . 13 1 1 A 11 11 ARG C C 11 178.321 178.965 -0.644 1
1 143 . 13 1 1 A 11 11 ARG CA C 11 59.328 58.979 0.349 1
1 144 . 13 1 1 A 11 11 ARG CB C 11 29.798 29.759 0.039 1
1 147 . 13 1 1 A 11 11 ARG N N 11 119.987 119.712 0.275 1
1 148 . 13 1 1 A 12 12 ALA H H 12 7.661 7.840 -0.179 1
1 149 . 13 1 1 A 12 12 ALA HA H 12 4.603 3.933 0.670 1
1 153 . 13 1 1 A 12 12 ALA C C 12 179.757 179.441 0.316 1
1 154 . 13 1 1 A 12 12 ALA CA C 12 55.536 55.061 0.475 1
1 155 . 13 1 1 A 12 12 ALA CB C 12 18.423 18.325 0.098 1
1 156 . 13 1 1 A 12 12 ALA N N 12 122.208 122.471 -0.263 1
1 157 . 13 1 1 A 13 13 GLN H H 13 8.205 8.444 -0.239 1
1 158 . 13 1 1 A 13 13 GLN HA H 13 4.332 4.174 0.158 1
1 165 . 13 1 1 A 13 13 GLN C C 13 178.128 178.255 -0.127 1
1 166 . 13 1 1 A 13 13 GLN CA C 13 59.565 57.792 1.773 1
1 167 . 13 1 1 A 13 13 GLN CB C 13 29.572 29.169 0.403 1
1 169 . 13 1 1 A 13 13 GLN N N 13 118.449 118.538 -0.089 1
1 171 . 13 1 1 A 14 14 SER H H 14 8.245 7.963 0.282 1
1 172 . 13 1 1 A 14 14 SER HA H 14 4.281 4.178 0.103 1
1 175 . 13 1 1 A 14 14 SER C C 14 177.751 175.990 1.761 1
1 176 . 13 1 1 A 14 14 SER CA C 14 61.583 61.626 -0.043 1
1 177 . 13 1 1 A 14 14 SER CB C 14 62.897 63.056 -0.159 1
1 178 . 13 1 1 A 14 14 SER N N 14 115.275 117.371 -2.096 1
1 179 . 13 1 1 A 15 15 GLN H H 15 8.686 8.797 -0.111 1
1 180 . 13 1 1 A 15 15 GLN HA H 15 4.124 4.065 0.059 1
1 187 . 13 1 1 A 15 15 GLN C C 15 179.621 178.329 1.292 1
1 188 . 13 1 1 A 15 15 GLN CA C 15 58.803 59.379 -0.576 1
1 189 . 13 1 1 A 15 15 GLN CB C 15 28.201 28.143 0.058 1
1 191 . 13 1 1 A 15 15 GLN N N 15 121.722 121.071 0.651 1
1 193 . 13 1 1 A 16 16 GLY H H 16 8.439 8.510 -0.071 1
1 194 . 13 1 1 A 16 16 GLY HA2 H 16 1.849 2.358 -0.509 1
1 195 . 13 1 1 A 16 16 GLY HA3 H 16 3.742 2.997 0.745 1
1 196 . 13 1 1 A 16 16 GLY C C 16 175.080 175.102 -0.022 1
1 197 . 13 1 1 A 16 16 GLY CA C 16 45.784 46.535 -0.751 1
1 198 . 13 1 1 A 16 16 GLY N N 16 113.363 106.594 6.769 1
1 199 . 13 1 1 A 17 17 TYR H H 17 8.167 7.755 0.412 1
1 200 . 13 1 1 A 17 17 TYR HA H 17 4.014 4.236 -0.222 1
1 207 . 13 1 1 A 17 17 TYR C C 17 177.200 177.385 -0.185 1
1 208 . 13 1 1 A 17 17 TYR CA C 17 60.567 60.800 -0.233 1
1 209 . 13 1 1 A 17 17 TYR CB C 17 38.755 38.691 0.064 1
1 214 . 13 1 1 A 17 17 TYR N N 17 123.123 123.712 -0.589 1
1 215 . 13 1 1 A 18 18 LYS H H 18 8.003 7.920 0.083 1
1 216 . 13 1 1 A 18 18 LYS HA H 18 3.681 3.906 -0.225 1
1 225 . 13 1 1 A 18 18 LYS C C 18 178.838 178.765 0.073 1
1 226 . 13 1 1 A 18 18 LYS CA C 18 59.677 58.720 0.957 1
1 227 . 13 1 1 A 18 18 LYS CB C 18 32.393 32.181 0.212 1
1 231 . 13 1 1 A 18 18 LYS N N 18 117.920 119.463 -1.543 1
1 232 . 13 1 1 A 19 19 ALA H H 19 8.067 8.917 -0.850 1
1 233 . 13 1 1 A 19 19 ALA HA H 19 4.194 4.151 0.043 1
1 237 . 13 1 1 A 19 19 ALA C C 19 180.263 179.931 0.332 1
1 238 . 13 1 1 A 19 19 ALA CA C 19 55.349 54.857 0.492 1
1 239 . 13 1 1 A 19 19 ALA CB C 19 19.039 18.464 0.575 1
1 240 . 13 1 1 A 19 19 ALA N N 19 120.778 121.217 -0.439 1
1 241 . 13 1 1 A 20 20 GLY H H 20 8.527 8.028 0.499 1
1 242 . 13 1 1 A 20 20 GLY HA2 H 20 3.101 3.099 0.002 1
1 243 . 13 1 1 A 20 20 GLY HA3 H 20 3.303 3.366 -0.063 1
1 244 . 13 1 1 A 20 20 GLY C C 20 177.818 175.860 1.958 1
1 245 . 13 1 1 A 20 20 GLY CA C 20 47.102 47.078 0.024 1
1 246 . 13 1 1 A 20 20 GLY N N 20 107.003 106.044 0.959 1
1 247 . 13 1 1 A 21 21 LEU H H 21 8.310 7.304 1.006 1
1 248 . 13 1 1 A 21 21 LEU HA H 21 3.696 3.964 -0.268 1
1 258 . 13 1 1 A 21 21 LEU C C 21 178.603 178.301 0.302 1
1 259 . 13 1 1 A 21 21 LEU CA C 21 57.417 57.541 -0.124 1
1 260 . 13 1 1 A 21 21 LEU CB C 21 41.798 42.170 -0.372 1
1 264 . 13 1 1 A 21 21 LEU N N 21 124.762 122.352 2.410 1
1 265 . 13 1 1 A 22 22 ASN H H 22 7.628 8.805 -1.177 1
1 266 . 13 1 1 A 22 22 ASN HA H 22 4.701 4.581 0.120 1
1 271 . 13 1 1 A 22 22 ASN C C 22 175.456 178.440 -2.984 1
1 272 . 13 1 1 A 22 22 ASN CA C 22 53.292 55.459 -2.167 1
1 273 . 13 1 1 A 22 22 ASN CB C 22 39.188 38.301 0.887 1
1 274 . 13 1 1 A 22 22 ASN N N 22 114.867 115.206 -0.339 1
1 276 . 13 1 1 A 23 23 GLY H H 23 7.586 7.803 -0.217 1
1 277 . 13 1 1 A 23 23 GLY HA2 H 23 3.810 3.908 -0.098 1
1 278 . 13 1 1 A 23 23 GLY HA3 H 23 4.102 3.982 0.120 1
1 279 . 13 1 1 A 23 23 GLY C C 23 175.226 174.779 0.447 1
1 280 . 13 1 1 A 23 23 GLY CA C 23 46.302 46.284 0.018 1
1 281 . 13 1 1 A 23 23 GLY N N 23 106.650 109.157 -2.507 1
1 282 . 13 1 1 A 24 24 ARG H H 24 8.156 7.990 0.166 1
1 283 . 13 1 1 A 24 24 ARG HA H 24 4.508 4.251 0.257 1
1 290 . 13 1 1 A 24 24 ARG C C 24 177.405 175.663 1.742 1
1 291 . 13 1 1 A 24 24 ARG CA C 24 55.103 58.382 -3.279 1
1 292 . 13 1 1 A 24 24 ARG CB C 24 30.537 30.084 0.453 1
1 295 . 13 1 1 A 24 24 ARG N N 24 118.161 119.937 -1.776 1
1 296 . 13 1 1 A 25 25 SER H H 25 9.015 8.540 0.475 1
1 297 . 13 1 1 A 25 25 SER HA H 25 4.804 5.083 -0.279 1
1 300 . 13 1 1 A 25 25 SER C C 25 175.005 174.585 0.420 1
1 301 . 13 1 1 A 25 25 SER CA C 25 57.752 57.401 0.351 1
1 302 . 13 1 1 A 25 25 SER CB C 25 64.687 65.664 -0.977 1
1 303 . 13 1 1 A 25 25 SER N N 25 119.720 114.836 4.884 1
1 304 . 13 1 1 A 26 26 GLN H H 26 8.662 8.682 -0.020 1
1 305 . 13 1 1 A 26 26 GLN HA H 26 3.162 4.280 -1.118 1
1 312 . 13 1 1 A 26 26 GLN C C 26 177.736 177.778 -0.042 1
1 313 . 13 1 1 A 26 26 GLN CA C 26 58.643 57.748 0.895 1
1 314 . 13 1 1 A 26 26 GLN CB C 26 27.352 28.179 -0.827 1
1 316 . 13 1 1 A 26 26 GLN N N 26 120.247 124.043 -3.796 1
1 318 . 13 1 1 A 27 27 GLU H H 27 8.244 8.026 0.218 1
1 319 . 13 1 1 A 27 27 GLU HA H 27 3.886 3.998 -0.112 1
1 324 . 13 1 1 A 27 27 GLU C C 27 176.177 177.790 -1.613 1
1 325 . 13 1 1 A 27 27 GLU CA C 27 57.807 58.654 -0.847 1
1 326 . 13 1 1 A 27 27 GLU CB C 27 28.583 29.684 -1.101 1
1 328 . 13 1 1 A 27 27 GLU N N 27 117.869 120.842 -2.973 1
1 329 . 13 1 1 A 28 28 ALA H H 28 7.451 7.270 0.181 1
1 330 . 13 1 1 A 28 28 ALA HA H 28 4.070 4.249 -0.179 1
1 334 . 13 1 1 A 28 28 ALA C C 28 176.063 176.687 -0.624 1
1 335 . 13 1 1 A 28 28 ALA CA C 28 51.945 52.432 -0.487 1
1 336 . 13 1 1 A 28 28 ALA CB C 28 18.113 18.531 -0.418 1
1 337 . 13 1 1 A 28 28 ALA N N 28 120.356 119.327 1.029 1
1 338 . 13 1 1 A 29 29 CYS H H 29 6.591 7.337 -0.746 1
1 339 . 13 1 1 A 29 29 CYS HA H 29 1.828 4.181 -2.353 1
1 342 . 13 1 1 A 29 29 CYS CA C 29 56.231 55.407 0.824 1
1 343 . 13 1 1 A 29 29 CYS CB C 29 27.778 26.903 0.875 1
1 344 . 13 1 1 A 29 29 CYS N N 29 121.588 119.012 2.576 1
1 345 . 13 1 1 A 30 30 PRO HA H 30 4.323 4.349 -0.026 1
1 352 . 13 1 1 A 30 30 PRO C C 30 175.515 175.430 0.085 1
1 353 . 13 1 1 A 30 30 PRO CA C 30 63.382 63.268 0.114 1
1 354 . 13 1 1 A 30 30 PRO CB C 30 31.551 31.431 0.120 1
1 357 . 13 1 1 A 31 31 TYR H H 31 6.804 8.036 -1.232 1
1 358 . 13 1 1 A 31 31 TYR HA H 31 4.582 4.630 -0.048 1
1 365 . 13 1 1 A 31 31 TYR C C 31 174.785 175.832 -1.047 1
1 366 . 13 1 1 A 31 31 TYR CA C 31 58.348 59.325 -0.977 1
1 367 . 13 1 1 A 31 31 TYR CB C 31 41.030 40.328 0.702 1
1 372 . 13 1 1 A 31 31 TYR N N 31 118.903 120.988 -2.085 1
1 373 . 13 1 1 A 32 32 GLN H H 32 8.763 7.661 1.102 1
1 374 . 13 1 1 A 32 32 GLN HA H 32 4.344 4.705 -0.361 1
1 381 . 13 1 1 A 32 32 GLN C C 32 176.528 174.657 1.871 1
1 382 . 13 1 1 A 32 32 GLN CA C 32 55.996 55.019 0.977 1
1 383 . 13 1 1 A 32 32 GLN CB C 32 30.182 32.032 -1.850 1
1 385 . 13 1 1 A 32 32 GLN N N 32 120.327 115.613 4.714 1
1 387 . 13 1 1 A 33 33 GLN H H 33 8.230 8.923 -0.693 1
1 388 . 13 1 1 A 33 33 GLN HA H 33 4.262 4.418 -0.156 1
1 395 . 13 1 1 A 33 33 GLN C C 33 177.216 177.824 -0.608 1
1 396 . 13 1 1 A 33 33 GLN CA C 33 56.931 57.647 -0.716 1
1 397 . 13 1 1 A 33 33 GLN CB C 33 28.699 29.233 -0.534 1
1 399 . 13 1 1 A 33 33 GLN N N 33 121.712 121.459 0.253 1
1 401 . 13 1 1 A 34 34 VAL H H 34 8.484 7.988 0.496 1
1 402 . 13 1 1 A 34 34 VAL HA H 34 3.551 3.512 0.039 1
1 410 . 13 1 1 A 34 34 VAL C C 34 177.685 177.583 0.102 1
1 411 . 13 1 1 A 34 34 VAL CA C 34 66.570 66.233 0.337 1
1 412 . 13 1 1 A 34 34 VAL CB C 34 31.946 31.537 0.409 1
1 415 . 13 1 1 A 34 34 VAL N N 34 122.145 120.112 2.033 1
1 416 . 13 1 1 A 35 35 ASP H H 35 8.324 8.340 -0.016 1
1 417 . 13 1 1 A 35 35 ASP HA H 35 4.434 4.417 0.017 1
1 420 . 13 1 1 A 35 35 ASP C C 35 177.892 178.609 -0.717 1
1 421 . 13 1 1 A 35 35 ASP CA C 35 56.826 57.396 -0.570 1
1 422 . 13 1 1 A 35 35 ASP CB C 35 38.807 40.652 -1.845 1
1 423 . 13 1 1 A 35 35 ASP N N 35 120.937 120.033 0.904 1
1 424 . 13 1 1 A 36 36 ALA H H 36 8.431 8.088 0.343 1
1 425 . 13 1 1 A 36 36 ALA HA H 36 3.598 4.191 -0.593 1
1 429 . 13 1 1 A 36 36 ALA C C 36 178.949 180.541 -1.592 1
1 430 . 13 1 1 A 36 36 ALA CA C 36 55.327 55.537 -0.210 1
1 431 . 13 1 1 A 36 36 ALA CB C 36 17.371 18.287 -0.916 1
1 432 . 13 1 1 A 36 36 ALA N N 36 126.210 122.246 3.964 1
1 433 . 13 1 1 A 37 37 ARG H H 37 8.458 8.522 -0.064 1
1 434 . 13 1 1 A 37 37 ARG HA H 37 3.857 4.247 -0.390 1
1 442 . 13 1 1 A 37 37 ARG C C 37 177.746 179.347 -1.601 1
1 443 . 13 1 1 A 37 37 ARG CA C 37 60.636 59.299 1.337 1
1 444 . 13 1 1 A 37 37 ARG CB C 37 29.931 29.930 0.001 1
1 447 . 13 1 1 A 37 37 ARG N N 37 116.717 118.234 -1.517 1
1 449 . 13 1 1 A 38 38 SER H H 38 8.173 7.898 0.275 1
1 450 . 13 1 1 A 38 38 SER HA H 38 4.130 4.248 -0.118 1
1 451 . 13 1 1 A 38 38 SER C C 38 178.293 175.395 2.898 1
1 452 . 13 1 1 A 38 38 SER CA C 38 62.627 62.278 0.349 1
1 453 . 13 1 1 A 38 38 SER N N 38 114.110 117.730 -3.620 1
1 454 . 13 1 1 A 39 39 TYR H H 39 8.343 7.559 0.784 1
1 455 . 13 1 1 A 39 39 TYR HA H 39 4.213 4.513 -0.300 1
1 462 . 13 1 1 A 39 39 TYR C C 39 178.701 178.815 -0.114 1
1 463 . 13 1 1 A 39 39 TYR CA C 39 62.466 60.506 1.960 1
1 464 . 13 1 1 A 39 39 TYR CB C 39 38.687 39.441 -0.754 1
1 469 . 13 1 1 A 39 39 TYR N N 39 123.318 118.918 4.400 1
1 470 . 13 1 1 A 40 40 TRP H H 40 8.818 9.246 -0.428 1
1 471 . 13 1 1 A 40 40 TRP HA H 40 4.586 4.699 -0.113 1
1 480 . 13 1 1 A 40 40 TRP C C 40 179.359 177.913 1.446 1
1 481 . 13 1 1 A 40 40 TRP CA C 40 61.953 60.558 1.395 1
1 482 . 13 1 1 A 40 40 TRP CB C 40 31.349 29.783 1.566 1
1 488 . 13 1 1 A 40 40 TRP N N 40 123.286 122.662 0.624 1
1 490 . 13 1 1 A 41 41 LEU H H 41 9.368 8.413 0.955 1
1 491 . 13 1 1 A 41 41 LEU HA H 41 4.405 4.177 0.228 1
1 501 . 13 1 1 A 41 41 LEU C C 41 179.498 179.372 0.126 1
1 502 . 13 1 1 A 41 41 LEU CA C 41 58.206 57.881 0.325 1
1 503 . 13 1 1 A 41 41 LEU CB C 41 41.754 41.225 0.529 1
1 507 . 13 1 1 A 41 41 LEU N N 41 119.265 118.896 0.369 1
1 508 . 13 1 1 A 42 42 GLY H H 42 8.283 8.040 0.243 1
1 509 . 13 1 1 A 42 42 GLY HA2 H 42 3.857 3.626 0.231 1
1 510 . 13 1 1 A 42 42 GLY HA3 H 42 3.929 3.654 0.275 1
1 511 . 13 1 1 A 42 42 GLY C C 42 176.508 176.498 0.010 1
1 512 . 13 1 1 A 42 42 GLY CA C 42 47.412 47.531 -0.119 1
1 513 . 13 1 1 A 42 42 GLY N N 42 108.413 106.828 1.585 1
1 514 . 13 1 1 A 43 43 GLY H H 43 8.181 8.001 0.180 1
1 515 . 13 1 1 A 43 43 GLY HA2 H 43 4.124 3.810 0.314 1
1 516 . 13 1 1 A 43 43 GLY HA3 H 43 4.258 3.845 0.413 1
1 517 . 13 1 1 A 43 43 GLY C C 43 174.891 175.672 -0.781 1
1 518 . 13 1 1 A 43 43 GLY CA C 43 47.341 47.105 0.236 1
1 519 . 13 1 1 A 43 43 GLY N N 43 109.904 109.035 0.869 1
1 520 . 13 1 1 A 44 44 TRP H H 44 8.460 7.835 0.625 1
1 521 . 13 1 1 A 44 44 TRP HA H 44 3.578 4.154 -0.576 1
1 530 . 13 1 1 A 44 44 TRP C C 44 178.547 178.501 0.046 1
1 531 . 13 1 1 A 44 44 TRP CA C 44 62.646 59.901 2.745 1
1 532 . 13 1 1 A 44 44 TRP CB C 44 29.467 29.351 0.116 1
1 538 . 13 1 1 A 44 44 TRP N N 44 124.152 124.193 -0.041 1
1 540 . 13 1 1 A 45 45 ARG H H 45 8.759 8.271 0.488 1
1 541 . 13 1 1 A 45 45 ARG HA H 45 3.669 3.939 -0.270 1
1 549 . 13 1 1 A 45 45 ARG C C 45 178.784 178.453 0.331 1
1 550 . 13 1 1 A 45 45 ARG CA C 45 59.785 59.405 0.380 1
1 551 . 13 1 1 A 45 45 ARG CB C 45 30.295 29.857 0.438 1
1 554 . 13 1 1 A 45 45 ARG N N 45 118.655 118.554 0.101 1
1 556 . 13 1 1 A 46 46 ASP H H 46 8.084 8.353 -0.269 1
1 557 . 13 1 1 A 46 46 ASP HA H 46 4.362 4.331 0.031 1
1 560 . 13 1 1 A 46 46 ASP C C 46 178.818 178.061 0.757 1
1 561 . 13 1 1 A 46 46 ASP CA C 46 57.518 57.857 -0.339 1
1 562 . 13 1 1 A 46 46 ASP CB C 46 39.752 41.620 -1.868 1
1 563 . 13 1 1 A 46 46 ASP N N 46 120.646 119.381 1.265 1
1 564 . 13 1 1 A 47 47 ALA H H 47 7.873 8.470 -0.597 1
1 565 . 13 1 1 A 47 47 ALA HA H 47 3.627 3.991 -0.364 1
1 569 . 13 1 1 A 47 47 ALA C C 47 179.397 179.764 -0.367 1
1 570 . 13 1 1 A 47 47 ALA CA C 47 54.962 55.185 -0.223 1
1 571 . 13 1 1 A 47 47 ALA CB C 47 18.940 17.976 0.964 1
1 572 . 13 1 1 A 47 47 ALA N N 47 122.126 121.701 0.425 1
1 573 . 13 1 1 A 48 48 ARG H H 48 7.587 7.671 -0.084 1
1 574 . 13 1 1 A 48 48 ARG HA H 48 3.538 3.844 -0.306 1
1 582 . 13 1 1 A 48 48 ARG C C 48 178.647 178.807 -0.160 1
1 583 . 13 1 1 A 48 48 ARG CA C 48 57.880 59.658 -1.778 1
1 584 . 13 1 1 A 48 48 ARG CB C 48 28.753 29.839 -1.086 1
1 587 . 13 1 1 A 48 48 ARG N N 48 117.721 117.611 0.110 1
1 589 . 13 1 1 A 49 49 ASP H H 49 8.249 8.196 0.053 1
1 590 . 13 1 1 A 49 49 ASP HA H 49 4.383 4.402 -0.019 1
1 593 . 13 1 1 A 49 49 ASP C C 49 178.360 178.307 0.053 1
1 594 . 13 1 1 A 49 49 ASP CA C 49 56.330 56.334 -0.004 1
1 595 . 13 1 1 A 49 49 ASP CB C 49 40.401 40.737 -0.336 1
1 596 . 13 1 1 A 49 49 ASP N N 49 119.997 119.563 0.434 1
1 597 . 13 1 1 A 50 50 GLU H H 50 8.060 7.598 0.462 1
1 598 . 13 1 1 A 50 50 GLU HA H 50 4.007 4.101 -0.094 1
1 603 . 13 1 1 A 50 50 GLU C C 50 178.675 178.258 0.417 1
1 604 . 13 1 1 A 50 50 GLU CA C 50 58.740 58.789 -0.049 1
1 605 . 13 1 1 A 50 50 GLU CB C 50 29.585 29.730 -0.145 1
1 607 . 13 1 1 A 50 50 GLU N N 50 121.823 118.982 2.841 1
1 608 . 13 1 1 A 51 51 LYS H H 51 8.089 7.689 0.400 1
1 609 . 13 1 1 A 51 51 LYS HA H 51 4.057 4.055 0.002 1
1 618 . 13 1 1 A 51 51 LYS C C 51 178.241 179.357 -1.116 1
1 619 . 13 1 1 A 51 51 LYS CA C 51 57.727 58.852 -1.125 1
1 620 . 13 1 1 A 51 51 LYS CB C 51 32.090 31.896 0.194 1
1 624 . 13 1 1 A 51 51 LYS N N 51 119.415 119.424 -0.009 1
1 625 . 13 1 1 A 52 52 GLN H H 52 8.043 8.009 0.034 1
1 626 . 13 1 1 A 52 52 GLN HA H 52 4.189 4.061 0.128 1
1 633 . 13 1 1 A 52 52 GLN C C 52 176.965 178.255 -1.290 1
1 634 . 13 1 1 A 52 52 GLN CA C 52 56.977 58.595 -1.618 1
1 635 . 13 1 1 A 52 52 GLN CB C 52 28.858 28.739 0.119 1
1 637 . 13 1 1 A 52 52 GLN N N 52 118.262 118.793 -0.531 1
1 639 . 13 1 1 A 53 53 SER H H 53 8.088 8.410 -0.322 1
1 640 . 13 1 1 A 53 53 SER HA H 53 4.339 4.251 0.088 1
1 643 . 13 1 1 A 53 53 SER C C 53 175.679 175.784 -0.105 1
1 644 . 13 1 1 A 53 53 SER CA C 53 59.492 61.803 -2.311 1
1 645 . 13 1 1 A 53 53 SER CB C 53 63.849 63.112 0.737 1
1 646 . 13 1 1 A 53 53 SER N N 53 114.966 117.424 -2.458 1
1 647 . 13 1 1 A 54 54 GLY H H 54 8.228 7.637 0.591 1
1 648 . 13 1 1 A 54 54 GLY HA2 H 54 3.939 3.992 -0.053 1
1 649 . 13 1 1 A 54 54 GLY HA3 H 54 3.867 4.003 -0.136 1
1 650 . 13 1 1 A 54 54 GLY C C 54 174.591 175.019 -0.428 1
1 651 . 13 1 1 A 54 54 GLY CA C 54 45.776 45.378 0.398 1
1 652 . 13 1 1 A 54 54 GLY N N 54 110.315 109.275 1.040 1
1 653 . 13 1 1 A 55 55 LEU H H 55 7.846 8.110 -0.264 1
1 654 . 13 1 1 A 55 55 LEU HA H 55 4.174 4.276 -0.102 1
1 664 . 13 1 1 A 55 55 LEU C C 55 177.315 175.707 1.608 1
1 665 . 13 1 1 A 55 55 LEU CA C 55 55.716 56.938 -1.222 1
1 666 . 13 1 1 A 55 55 LEU CB C 55 42.103 42.084 0.019 1
1 670 . 13 1 1 A 55 55 LEU N N 55 121.456 120.361 1.095 1
1 671 . 13 1 1 A 56 56 TYR H H 56 7.960 8.714 -0.754 1
1 672 . 13 1 1 A 56 56 TYR HA H 56 4.450 4.864 -0.414 1
1 679 . 13 1 1 A 56 56 TYR C C 56 176.206 175.357 0.849 1
1 680 . 13 1 1 A 56 56 TYR CA C 56 58.242 59.025 -0.783 1
1 681 . 13 1 1 A 56 56 TYR CB C 56 38.478 40.730 -2.252 1
1 686 . 13 1 1 A 56 56 TYR N N 56 119.665 119.076 0.589 1
1 687 . 13 1 1 A 57 57 LYS H H 57 8.015 7.718 0.297 1
1 688 . 13 1 1 A 57 57 LYS HA H 57 4.154 4.395 -0.241 1
1 697 . 13 1 1 A 57 57 LYS C C 57 176.553 174.921 1.632 1
1 698 . 13 1 1 A 57 57 LYS CA C 57 56.656 56.077 0.579 1
1 699 . 13 1 1 A 57 57 LYS CB C 57 32.870 33.072 -0.202 1
1 703 . 13 1 1 A 57 57 LYS N N 57 122.012 118.614 3.398 1
1 704 . 13 1 1 A 58 58 LEU H H 58 8.035 8.836 -0.801 1
1 705 . 13 1 1 A 58 58 LEU HA H 58 4.185 4.623 -0.438 1
1 715 . 13 1 1 A 58 58 LEU C C 58 177.527 175.821 1.706 1
1 716 . 13 1 1 A 58 58 LEU CA C 58 55.574 54.403 1.171 1
1 717 . 13 1 1 A 58 58 LEU CB C 58 42.175 42.651 -0.476 1
1 721 . 13 1 1 A 58 58 LEU N N 58 122.265 126.506 -4.241 1
1 722 . 13 1 1 A 59 59 GLU H H 59 8.253 8.908 -0.655 1
1 723 . 13 1 1 A 59 59 GLU HA H 59 4.123 4.953 -0.830 1
1 728 . 13 1 1 A 59 59 GLU C C 59 176.231 175.659 0.572 1
1 729 . 13 1 1 A 59 59 GLU CA C 59 56.658 55.067 1.591 1
1 730 . 13 1 1 A 59 59 GLU CB C 59 30.246 30.236 0.010 1
1 732 . 13 1 1 A 59 59 GLU N N 59 120.313 118.958 1.355 1
1 7 . 14 1 1 A 2 2 LYS H H 2 8.138 8.874 -0.736 1
1 8 . 14 1 1 A 2 2 LYS HA H 2 4.325 4.053 0.272 1
1 17 . 14 1 1 A 2 2 LYS C C 2 176.460 178.845 -2.385 1
1 18 . 14 1 1 A 2 2 LYS CA C 2 56.632 58.946 -2.314 1
1 19 . 14 1 1 A 2 2 LYS CB C 2 33.087 32.083 1.004 1
1 23 . 14 1 1 A 2 2 LYS N N 2 125.275 122.545 2.730 1
1 24 . 14 1 1 A 3 3 ARG H H 3 8.624 8.053 0.571 1
1 25 . 14 1 1 A 3 3 ARG HA H 3 4.220 4.066 0.154 1
1 32 . 14 1 1 A 3 3 ARG C C 3 176.426 178.290 -1.864 1
1 33 . 14 1 1 A 3 3 ARG CA C 3 56.705 58.756 -2.051 1
1 34 . 14 1 1 A 3 3 ARG CB C 3 30.577 29.777 0.800 1
1 37 . 14 1 1 A 3 3 ARG N N 3 123.963 120.018 3.945 1
1 38 . 14 1 1 A 4 4 GLN H H 4 8.613 7.638 0.975 1
1 39 . 14 1 1 A 4 4 GLN HA H 4 4.221 4.248 -0.027 1
1 46 . 14 1 1 A 4 4 GLN C C 4 176.604 178.010 -1.406 1
1 47 . 14 1 1 A 4 4 GLN CA C 4 56.626 57.554 -0.928 1
1 48 . 14 1 1 A 4 4 GLN CB C 4 29.536 28.762 0.774 1
1 50 . 14 1 1 A 4 4 GLN N N 4 121.223 117.161 4.062 1
1 52 . 14 1 1 A 5 5 LYS H H 5 8.180 8.053 0.127 1
1 53 . 14 1 1 A 5 5 LYS HA H 5 4.161 4.091 0.070 1
1 62 . 14 1 1 A 5 5 LYS C C 5 176.971 179.412 -2.441 1
1 63 . 14 1 1 A 5 5 LYS CA C 5 57.367 59.972 -2.605 1
1 64 . 14 1 1 A 5 5 LYS CB C 5 32.873 32.087 0.786 1
1 68 . 14 1 1 A 5 5 LYS N N 5 122.464 120.124 2.340 1
1 69 . 14 1 1 A 6 6 ARG H H 6 8.345 7.654 0.691 1
1 70 . 14 1 1 A 6 6 ARG HA H 6 4.119 3.755 0.364 1
1 77 . 14 1 1 A 6 6 ARG C C 6 176.908 177.922 -1.014 1
1 78 . 14 1 1 A 6 6 ARG CA C 6 57.246 58.791 -1.545 1
1 79 . 14 1 1 A 6 6 ARG CB C 6 30.166 30.105 0.061 1
1 82 . 14 1 1 A 6 6 ARG N N 6 121.458 120.450 1.008 1
1 83 . 14 1 1 A 7 7 ASP H H 7 8.422 8.364 0.058 1
1 84 . 14 1 1 A 7 7 ASP HA H 7 4.414 4.251 0.163 1
1 87 . 14 1 1 A 7 7 ASP C C 7 177.562 178.482 -0.920 1
1 88 . 14 1 1 A 7 7 ASP CA C 7 55.809 57.164 -1.355 1
1 89 . 14 1 1 A 7 7 ASP CB C 7 41.064 41.822 -0.758 1
1 90 . 14 1 1 A 7 7 ASP N N 7 120.954 119.415 1.539 1
1 91 . 14 1 1 A 8 8 ARG H H 8 8.061 7.554 0.507 1
1 92 . 14 1 1 A 8 8 ARG HA H 8 3.971 4.107 -0.136 1
1 99 . 14 1 1 A 8 8 ARG C C 8 178.412 177.829 0.583 1
1 100 . 14 1 1 A 8 8 ARG CA C 8 59.160 58.189 0.971 1
1 101 . 14 1 1 A 8 8 ARG CB C 8 30.192 29.231 0.961 1
1 104 . 14 1 1 A 8 8 ARG N N 8 119.853 118.195 1.658 1
1 105 . 14 1 1 A 9 9 LEU H H 9 7.801 7.745 0.056 1
1 106 . 14 1 1 A 9 9 LEU HA H 9 3.727 3.988 -0.261 1
1 116 . 14 1 1 A 9 9 LEU C C 9 178.182 178.728 -0.546 1
1 117 . 14 1 1 A 9 9 LEU CA C 9 57.192 56.430 0.762 1
1 118 . 14 1 1 A 9 9 LEU CB C 9 38.370 41.270 -2.900 1
1 122 . 14 1 1 A 9 9 LEU N N 9 121.052 120.291 0.761 1
1 123 . 14 1 1 A 10 10 GLU H H 10 8.172 8.447 -0.275 1
1 124 . 14 1 1 A 10 10 GLU HA H 10 4.014 3.945 0.069 1
1 129 . 14 1 1 A 10 10 GLU C C 10 180.022 179.274 0.748 1
1 130 . 14 1 1 A 10 10 GLU CA C 10 59.504 59.408 0.096 1
1 131 . 14 1 1 A 10 10 GLU CB C 10 29.451 29.069 0.382 1
1 133 . 14 1 1 A 10 10 GLU N N 10 120.463 120.570 -0.107 1
1 134 . 14 1 1 A 11 11 ARG H H 11 8.202 7.831 0.371 1
1 135 . 14 1 1 A 11 11 ARG HA H 11 4.117 4.019 0.098 1
1 142 . 14 1 1 A 11 11 ARG C C 11 178.321 178.957 -0.636 1
1 143 . 14 1 1 A 11 11 ARG CA C 11 59.328 58.927 0.401 1
1 144 . 14 1 1 A 11 11 ARG CB C 11 29.798 29.679 0.119 1
1 147 . 14 1 1 A 11 11 ARG N N 11 119.987 119.703 0.284 1
1 148 . 14 1 1 A 12 12 ALA H H 12 7.661 7.877 -0.216 1
1 149 . 14 1 1 A 12 12 ALA HA H 12 4.603 3.912 0.691 1
1 153 . 14 1 1 A 12 12 ALA C C 12 179.757 179.477 0.280 1
1 154 . 14 1 1 A 12 12 ALA CA C 12 55.536 54.957 0.579 1
1 155 . 14 1 1 A 12 12 ALA CB C 12 18.423 18.107 0.316 1
1 156 . 14 1 1 A 12 12 ALA N N 12 122.208 121.936 0.272 1
1 157 . 14 1 1 A 13 13 GLN H H 13 8.205 8.290 -0.085 1
1 158 . 14 1 1 A 13 13 GLN HA H 13 4.332 4.133 0.199 1
1 165 . 14 1 1 A 13 13 GLN C C 13 178.128 178.177 -0.049 1
1 166 . 14 1 1 A 13 13 GLN CA C 13 59.565 58.482 1.083 1
1 167 . 14 1 1 A 13 13 GLN CB C 13 29.572 28.935 0.637 1
1 169 . 14 1 1 A 13 13 GLN N N 13 118.449 119.520 -1.071 1
1 171 . 14 1 1 A 14 14 SER H H 14 8.245 7.561 0.684 1
1 172 . 14 1 1 A 14 14 SER HA H 14 4.281 4.197 0.084 1
1 175 . 14 1 1 A 14 14 SER C C 14 177.751 177.004 0.747 1
1 176 . 14 1 1 A 14 14 SER CA C 14 61.583 61.380 0.203 1
1 177 . 14 1 1 A 14 14 SER CB C 14 62.897 63.044 -0.147 1
1 178 . 14 1 1 A 14 14 SER N N 14 115.275 114.103 1.172 1
1 179 . 14 1 1 A 15 15 GLN H H 15 8.686 8.432 0.254 1
1 180 . 14 1 1 A 15 15 GLN HA H 15 4.124 4.097 0.027 1
1 187 . 14 1 1 A 15 15 GLN C C 15 179.621 178.271 1.350 1
1 188 . 14 1 1 A 15 15 GLN CA C 15 58.803 59.362 -0.559 1
1 189 . 14 1 1 A 15 15 GLN CB C 15 28.201 28.294 -0.093 1
1 191 . 14 1 1 A 15 15 GLN N N 15 121.722 120.825 0.897 1
1 193 . 14 1 1 A 16 16 GLY H H 16 8.439 8.494 -0.055 1
1 194 . 14 1 1 A 16 16 GLY HA2 H 16 1.849 2.485 -0.636 1
1 195 . 14 1 1 A 16 16 GLY HA3 H 16 3.742 3.131 0.611 1
1 196 . 14 1 1 A 16 16 GLY C C 16 175.080 175.171 -0.091 1
1 197 . 14 1 1 A 16 16 GLY CA C 16 45.784 46.694 -0.910 1
1 198 . 14 1 1 A 16 16 GLY N N 16 113.363 106.564 6.799 1
1 199 . 14 1 1 A 17 17 TYR H H 17 8.167 7.639 0.528 1
1 200 . 14 1 1 A 17 17 TYR HA H 17 4.014 4.021 -0.007 1
1 207 . 14 1 1 A 17 17 TYR C C 17 177.200 177.432 -0.232 1
1 208 . 14 1 1 A 17 17 TYR CA C 17 60.567 60.837 -0.270 1
1 209 . 14 1 1 A 17 17 TYR CB C 17 38.755 38.880 -0.125 1
1 214 . 14 1 1 A 17 17 TYR N N 17 123.123 123.697 -0.574 1
1 215 . 14 1 1 A 18 18 LYS H H 18 8.003 8.100 -0.097 1
1 216 . 14 1 1 A 18 18 LYS HA H 18 3.681 4.126 -0.445 1
1 225 . 14 1 1 A 18 18 LYS C C 18 178.838 178.919 -0.081 1
1 226 . 14 1 1 A 18 18 LYS CA C 18 59.677 58.850 0.827 1
1 227 . 14 1 1 A 18 18 LYS CB C 18 32.393 32.228 0.165 1
1 231 . 14 1 1 A 18 18 LYS N N 18 117.920 119.680 -1.760 1
1 232 . 14 1 1 A 19 19 ALA H H 19 8.067 9.179 -1.112 1
1 233 . 14 1 1 A 19 19 ALA HA H 19 4.194 4.253 -0.059 1
1 237 . 14 1 1 A 19 19 ALA C C 19 180.263 179.956 0.307 1
1 238 . 14 1 1 A 19 19 ALA CA C 19 55.349 54.847 0.502 1
1 239 . 14 1 1 A 19 19 ALA CB C 19 19.039 18.688 0.351 1
1 240 . 14 1 1 A 19 19 ALA N N 19 120.778 121.361 -0.583 1
1 241 . 14 1 1 A 20 20 GLY H H 20 8.527 8.146 0.381 1
1 242 . 14 1 1 A 20 20 GLY HA2 H 20 3.101 3.328 -0.227 1
1 243 . 14 1 1 A 20 20 GLY HA3 H 20 3.303 3.362 -0.059 1
1 244 . 14 1 1 A 20 20 GLY C C 20 177.818 175.669 2.149 1
1 245 . 14 1 1 A 20 20 GLY CA C 20 47.102 46.891 0.211 1
1 246 . 14 1 1 A 20 20 GLY N N 20 107.003 106.471 0.532 1
1 247 . 14 1 1 A 21 21 LEU H H 21 8.310 7.728 0.582 1
1 248 . 14 1 1 A 21 21 LEU HA H 21 3.696 4.214 -0.518 1
1 258 . 14 1 1 A 21 21 LEU C C 21 178.603 178.054 0.549 1
1 259 . 14 1 1 A 21 21 LEU CA C 21 57.417 57.055 0.362 1
1 260 . 14 1 1 A 21 21 LEU CB C 21 41.798 42.893 -1.095 1
1 264 . 14 1 1 A 21 21 LEU N N 21 124.762 121.841 2.921 1
1 265 . 14 1 1 A 22 22 ASN H H 22 7.628 8.897 -1.269 1
1 266 . 14 1 1 A 22 22 ASN HA H 22 4.701 4.750 -0.049 1
1 271 . 14 1 1 A 22 22 ASN C C 22 175.456 178.038 -2.582 1
1 272 . 14 1 1 A 22 22 ASN CA C 22 53.292 55.336 -2.044 1
1 273 . 14 1 1 A 22 22 ASN CB C 22 39.188 38.533 0.655 1
1 274 . 14 1 1 A 22 22 ASN N N 22 114.867 114.307 0.560 1
1 276 . 14 1 1 A 23 23 GLY H H 23 7.586 8.197 -0.611 1
1 277 . 14 1 1 A 23 23 GLY HA2 H 23 3.810 3.954 -0.144 1
1 278 . 14 1 1 A 23 23 GLY HA3 H 23 4.102 4.040 0.062 1
1 279 . 14 1 1 A 23 23 GLY C C 23 175.226 174.940 0.286 1
1 280 . 14 1 1 A 23 23 GLY CA C 23 46.302 46.091 0.211 1
1 281 . 14 1 1 A 23 23 GLY N N 23 106.650 109.375 -2.725 1
1 282 . 14 1 1 A 24 24 ARG H H 24 8.156 8.154 0.002 1
1 283 . 14 1 1 A 24 24 ARG HA H 24 4.508 4.289 0.219 1
1 290 . 14 1 1 A 24 24 ARG C C 24 177.405 175.410 1.995 1
1 291 . 14 1 1 A 24 24 ARG CA C 24 55.103 58.839 -3.736 1
1 292 . 14 1 1 A 24 24 ARG CB C 24 30.537 29.900 0.637 1
1 295 . 14 1 1 A 24 24 ARG N N 24 118.161 120.157 -1.996 1
1 296 . 14 1 1 A 25 25 SER H H 25 9.015 8.527 0.488 1
1 297 . 14 1 1 A 25 25 SER HA H 25 4.804 4.784 0.020 1
1 300 . 14 1 1 A 25 25 SER C C 25 175.005 174.535 0.470 1
1 301 . 14 1 1 A 25 25 SER CA C 25 57.752 57.915 -0.163 1
1 302 . 14 1 1 A 25 25 SER CB C 25 64.687 64.941 -0.254 1
1 303 . 14 1 1 A 25 25 SER N N 25 119.720 114.460 5.260 1
1 304 . 14 1 1 A 26 26 GLN H H 26 8.662 8.767 -0.105 1
1 305 . 14 1 1 A 26 26 GLN HA H 26 3.162 4.289 -1.127 1
1 312 . 14 1 1 A 26 26 GLN C C 26 177.736 177.156 0.580 1
1 313 . 14 1 1 A 26 26 GLN CA C 26 58.643 57.803 0.840 1
1 314 . 14 1 1 A 26 26 GLN CB C 26 27.352 28.273 -0.921 1
1 316 . 14 1 1 A 26 26 GLN N N 26 120.247 123.851 -3.604 1
1 318 . 14 1 1 A 27 27 GLU H H 27 8.244 7.979 0.265 1
1 319 . 14 1 1 A 27 27 GLU HA H 27 3.886 4.043 -0.157 1
1 324 . 14 1 1 A 27 27 GLU C C 27 176.177 177.845 -1.668 1
1 325 . 14 1 1 A 27 27 GLU CA C 27 57.807 58.029 -0.222 1
1 326 . 14 1 1 A 27 27 GLU CB C 27 28.583 29.586 -1.003 1
1 328 . 14 1 1 A 27 27 GLU N N 27 117.869 120.669 -2.800 1
1 329 . 14 1 1 A 28 28 ALA H H 28 7.451 7.574 -0.123 1
1 330 . 14 1 1 A 28 28 ALA HA H 28 4.070 4.354 -0.284 1
1 334 . 14 1 1 A 28 28 ALA C C 28 176.063 176.765 -0.702 1
1 335 . 14 1 1 A 28 28 ALA CA C 28 51.945 52.041 -0.096 1
1 336 . 14 1 1 A 28 28 ALA CB C 28 18.113 18.803 -0.690 1
1 337 . 14 1 1 A 28 28 ALA N N 28 120.356 120.967 -0.611 1
1 338 . 14 1 1 A 29 29 CYS H H 29 6.591 7.238 -0.647 1
1 339 . 14 1 1 A 29 29 CYS HA H 29 1.828 3.891 -2.063 1
1 342 . 14 1 1 A 29 29 CYS CA C 29 56.231 55.078 1.153 1
1 343 . 14 1 1 A 29 29 CYS CB C 29 27.778 27.303 0.475 1
1 344 . 14 1 1 A 29 29 CYS N N 29 121.588 119.128 2.460 1
1 345 . 14 1 1 A 30 30 PRO HA H 30 4.323 4.324 -0.001 1
1 352 . 14 1 1 A 30 30 PRO C C 30 175.515 177.010 -1.495 1
1 353 . 14 1 1 A 30 30 PRO CA C 30 63.382 63.395 -0.013 1
1 354 . 14 1 1 A 30 30 PRO CB C 30 31.551 32.563 -1.012 1
1 357 . 14 1 1 A 31 31 TYR H H 31 6.804 8.287 -1.483 1
1 358 . 14 1 1 A 31 31 TYR HA H 31 4.582 4.257 0.325 1
1 365 . 14 1 1 A 31 31 TYR C C 31 174.785 175.731 -0.946 1
1 366 . 14 1 1 A 31 31 TYR CA C 31 58.348 60.768 -2.420 1
1 367 . 14 1 1 A 31 31 TYR CB C 31 41.030 38.342 2.688 1
1 372 . 14 1 1 A 31 31 TYR N N 31 118.903 119.002 -0.099 1
1 373 . 14 1 1 A 32 32 GLN H H 32 8.763 7.488 1.275 1
1 374 . 14 1 1 A 32 32 GLN HA H 32 4.344 4.658 -0.314 1
1 381 . 14 1 1 A 32 32 GLN C C 32 176.528 174.868 1.660 1
1 382 . 14 1 1 A 32 32 GLN CA C 32 55.996 55.139 0.857 1
1 383 . 14 1 1 A 32 32 GLN CB C 32 30.182 31.944 -1.762 1
1 385 . 14 1 1 A 32 32 GLN N N 32 120.327 115.661 4.666 1
1 387 . 14 1 1 A 33 33 GLN H H 33 8.230 8.750 -0.520 1
1 388 . 14 1 1 A 33 33 GLN HA H 33 4.262 4.236 0.026 1
1 395 . 14 1 1 A 33 33 GLN C C 33 177.216 177.873 -0.657 1
1 396 . 14 1 1 A 33 33 GLN CA C 33 56.931 57.883 -0.952 1
1 397 . 14 1 1 A 33 33 GLN CB C 33 28.699 29.192 -0.493 1
1 399 . 14 1 1 A 33 33 GLN N N 33 121.712 122.029 -0.317 1
1 401 . 14 1 1 A 34 34 VAL H H 34 8.484 7.988 0.496 1
1 402 . 14 1 1 A 34 34 VAL HA H 34 3.551 3.514 0.037 1
1 410 . 14 1 1 A 34 34 VAL C C 34 177.685 177.659 0.026 1
1 411 . 14 1 1 A 34 34 VAL CA C 34 66.570 66.505 0.065 1
1 412 . 14 1 1 A 34 34 VAL CB C 34 31.946 31.698 0.248 1
1 415 . 14 1 1 A 34 34 VAL N N 34 122.145 120.306 1.839 1
1 416 . 14 1 1 A 35 35 ASP H H 35 8.324 8.327 -0.003 1
1 417 . 14 1 1 A 35 35 ASP HA H 35 4.434 4.396 0.038 1
1 420 . 14 1 1 A 35 35 ASP C C 35 177.892 178.681 -0.789 1
1 421 . 14 1 1 A 35 35 ASP CA C 35 56.826 57.459 -0.633 1
1 422 . 14 1 1 A 35 35 ASP CB C 35 38.807 40.646 -1.839 1
1 423 . 14 1 1 A 35 35 ASP N N 35 120.937 120.147 0.790 1
1 424 . 14 1 1 A 36 36 ALA H H 36 8.431 8.214 0.217 1
1 425 . 14 1 1 A 36 36 ALA HA H 36 3.598 4.142 -0.544 1
1 429 . 14 1 1 A 36 36 ALA C C 36 178.949 180.370 -1.421 1
1 430 . 14 1 1 A 36 36 ALA CA C 36 55.327 55.595 -0.268 1
1 431 . 14 1 1 A 36 36 ALA CB C 36 17.371 18.269 -0.898 1
1 432 . 14 1 1 A 36 36 ALA N N 36 126.210 122.511 3.699 1
1 433 . 14 1 1 A 37 37 ARG H H 37 8.458 8.699 -0.241 1
1 434 . 14 1 1 A 37 37 ARG HA H 37 3.857 4.232 -0.375 1
1 442 . 14 1 1 A 37 37 ARG C C 37 177.746 179.252 -1.506 1
1 443 . 14 1 1 A 37 37 ARG CA C 37 60.636 59.145 1.491 1
1 444 . 14 1 1 A 37 37 ARG CB C 37 29.931 30.113 -0.182 1
1 447 . 14 1 1 A 37 37 ARG N N 37 116.717 118.350 -1.633 1
1 449 . 14 1 1 A 38 38 SER H H 38 8.173 7.874 0.299 1
1 450 . 14 1 1 A 38 38 SER HA H 38 4.130 4.211 -0.081 1
1 451 . 14 1 1 A 38 38 SER C C 38 178.293 175.601 2.692 1
1 452 . 14 1 1 A 38 38 SER CA C 38 62.627 62.507 0.120 1
1 453 . 14 1 1 A 38 38 SER N N 38 114.110 118.008 -3.898 1
1 454 . 14 1 1 A 39 39 TYR H H 39 8.343 7.635 0.708 1
1 455 . 14 1 1 A 39 39 TYR HA H 39 4.213 4.483 -0.270 1
1 462 . 14 1 1 A 39 39 TYR C C 39 178.701 178.832 -0.131 1
1 463 . 14 1 1 A 39 39 TYR CA C 39 62.466 60.545 1.921 1
1 464 . 14 1 1 A 39 39 TYR CB C 39 38.687 39.332 -0.645 1
1 469 . 14 1 1 A 39 39 TYR N N 39 123.318 119.557 3.761 1
1 470 . 14 1 1 A 40 40 TRP H H 40 8.818 9.233 -0.415 1
1 471 . 14 1 1 A 40 40 TRP HA H 40 4.586 4.681 -0.095 1
1 480 . 14 1 1 A 40 40 TRP C C 40 179.359 177.982 1.377 1
1 481 . 14 1 1 A 40 40 TRP CA C 40 61.953 60.460 1.493 1
1 482 . 14 1 1 A 40 40 TRP CB C 40 31.349 29.973 1.376 1
1 488 . 14 1 1 A 40 40 TRP N N 40 123.286 122.649 0.637 1
1 490 . 14 1 1 A 41 41 LEU H H 41 9.368 8.421 0.947 1
1 491 . 14 1 1 A 41 41 LEU HA H 41 4.405 4.101 0.304 1
1 501 . 14 1 1 A 41 41 LEU C C 41 179.498 179.170 0.328 1
1 502 . 14 1 1 A 41 41 LEU CA C 41 58.206 57.882 0.324 1
1 503 . 14 1 1 A 41 41 LEU CB C 41 41.754 41.501 0.253 1
1 507 . 14 1 1 A 41 41 LEU N N 41 119.265 118.811 0.454 1
1 508 . 14 1 1 A 42 42 GLY H H 42 8.283 8.219 0.064 1
1 509 . 14 1 1 A 42 42 GLY HA2 H 42 3.857 3.726 0.131 1
1 510 . 14 1 1 A 42 42 GLY HA3 H 42 3.929 3.756 0.173 1
1 511 . 14 1 1 A 42 42 GLY C C 42 176.508 176.601 -0.093 1
1 512 . 14 1 1 A 42 42 GLY CA C 42 47.412 47.506 -0.094 1
1 513 . 14 1 1 A 42 42 GLY N N 42 108.413 106.137 2.276 1
1 514 . 14 1 1 A 43 43 GLY H H 43 8.181 8.132 0.049 1
1 515 . 14 1 1 A 43 43 GLY HA2 H 43 4.124 3.823 0.301 1
1 516 . 14 1 1 A 43 43 GLY HA3 H 43 4.258 3.838 0.420 1
1 517 . 14 1 1 A 43 43 GLY C C 43 174.891 175.753 -0.862 1
1 518 . 14 1 1 A 43 43 GLY CA C 43 47.341 46.954 0.387 1
1 519 . 14 1 1 A 43 43 GLY N N 43 109.904 108.808 1.096 1
1 520 . 14 1 1 A 44 44 TRP H H 44 8.460 7.905 0.555 1
1 521 . 14 1 1 A 44 44 TRP HA H 44 3.578 4.173 -0.595 1
1 530 . 14 1 1 A 44 44 TRP C C 44 178.547 178.622 -0.075 1
1 531 . 14 1 1 A 44 44 TRP CA C 44 62.646 59.873 2.773 1
1 532 . 14 1 1 A 44 44 TRP CB C 44 29.467 29.551 -0.084 1
1 538 . 14 1 1 A 44 44 TRP N N 44 124.152 124.096 0.056 1
1 540 . 14 1 1 A 45 45 ARG H H 45 8.759 8.404 0.355 1
1 541 . 14 1 1 A 45 45 ARG HA H 45 3.669 3.883 -0.214 1
1 549 . 14 1 1 A 45 45 ARG C C 45 178.784 178.181 0.603 1
1 550 . 14 1 1 A 45 45 ARG CA C 45 59.785 59.299 0.486 1
1 551 . 14 1 1 A 45 45 ARG CB C 45 30.295 29.827 0.468 1
1 554 . 14 1 1 A 45 45 ARG N N 45 118.655 118.214 0.441 1
1 556 . 14 1 1 A 46 46 ASP H H 46 8.084 8.275 -0.191 1
1 557 . 14 1 1 A 46 46 ASP HA H 46 4.362 4.231 0.131 1
1 560 . 14 1 1 A 46 46 ASP C C 46 178.818 177.885 0.933 1
1 561 . 14 1 1 A 46 46 ASP CA C 46 57.518 57.897 -0.379 1
1 562 . 14 1 1 A 46 46 ASP CB C 46 39.752 41.849 -2.097 1
1 563 . 14 1 1 A 46 46 ASP N N 46 120.646 119.191 1.455 1
1 564 . 14 1 1 A 47 47 ALA H H 47 7.873 7.882 -0.009 1
1 565 . 14 1 1 A 47 47 ALA HA H 47 3.627 3.306 0.321 1
1 569 . 14 1 1 A 47 47 ALA C C 47 179.397 179.395 0.002 1
1 570 . 14 1 1 A 47 47 ALA CA C 47 54.962 54.293 0.669 1
1 571 . 14 1 1 A 47 47 ALA CB C 47 18.940 17.541 1.399 1
1 572 . 14 1 1 A 47 47 ALA N N 47 122.126 121.316 0.810 1
1 573 . 14 1 1 A 48 48 ARG H H 48 7.587 7.439 0.148 1
1 574 . 14 1 1 A 48 48 ARG HA H 48 3.538 3.735 -0.197 1
1 582 . 14 1 1 A 48 48 ARG C C 48 178.647 177.882 0.765 1
1 583 . 14 1 1 A 48 48 ARG CA C 48 57.880 59.523 -1.643 1
1 584 . 14 1 1 A 48 48 ARG CB C 48 28.753 29.835 -1.082 1
1 587 . 14 1 1 A 48 48 ARG N N 48 117.721 117.332 0.389 1
1 589 . 14 1 1 A 49 49 ASP H H 49 8.249 8.034 0.215 1
1 590 . 14 1 1 A 49 49 ASP HA H 49 4.383 4.423 -0.040 1
1 593 . 14 1 1 A 49 49 ASP C C 49 178.360 177.609 0.751 1
1 594 . 14 1 1 A 49 49 ASP CA C 49 56.330 53.929 2.401 1
1 595 . 14 1 1 A 49 49 ASP CB C 49 40.401 40.202 0.199 1
1 596 . 14 1 1 A 49 49 ASP N N 49 119.997 117.354 2.643 1
1 597 . 14 1 1 A 50 50 GLU H H 50 8.060 7.612 0.448 1
1 598 . 14 1 1 A 50 50 GLU HA H 50 4.007 4.073 -0.066 1
1 603 . 14 1 1 A 50 50 GLU C C 50 178.675 178.131 0.544 1
1 604 . 14 1 1 A 50 50 GLU CA C 50 58.740 58.742 -0.002 1
1 605 . 14 1 1 A 50 50 GLU CB C 50 29.585 29.622 -0.037 1
1 607 . 14 1 1 A 50 50 GLU N N 50 121.823 119.964 1.859 1
1 608 . 14 1 1 A 51 51 LYS H H 51 8.089 7.456 0.633 1
1 609 . 14 1 1 A 51 51 LYS HA H 51 4.057 4.139 -0.082 1
1 618 . 14 1 1 A 51 51 LYS C C 51 178.241 179.135 -0.894 1
1 619 . 14 1 1 A 51 51 LYS CA C 51 57.727 58.036 -0.309 1
1 620 . 14 1 1 A 51 51 LYS CB C 51 32.090 32.609 -0.519 1
1 624 . 14 1 1 A 51 51 LYS N N 51 119.415 118.929 0.486 1
1 625 . 14 1 1 A 52 52 GLN H H 52 8.043 7.554 0.489 1
1 626 . 14 1 1 A 52 52 GLN HA H 52 4.189 4.095 0.094 1
1 633 . 14 1 1 A 52 52 GLN C C 52 176.965 178.652 -1.687 1
1 634 . 14 1 1 A 52 52 GLN CA C 52 56.977 58.205 -1.228 1
1 635 . 14 1 1 A 52 52 GLN CB C 52 28.858 28.171 0.687 1
1 637 . 14 1 1 A 52 52 GLN N N 52 118.262 120.305 -2.043 1
1 639 . 14 1 1 A 53 53 SER H H 53 8.088 7.779 0.309 1
1 640 . 14 1 1 A 53 53 SER HA H 53 4.339 4.219 0.120 1
1 643 . 14 1 1 A 53 53 SER C C 53 175.679 177.078 -1.399 1
1 644 . 14 1 1 A 53 53 SER CA C 53 59.492 62.271 -2.779 1
1 645 . 14 1 1 A 53 53 SER CB C 53 63.849 62.730 1.119 1
1 646 . 14 1 1 A 53 53 SER N N 53 114.966 117.114 -2.148 1
1 647 . 14 1 1 A 54 54 GLY H H 54 8.228 8.368 -0.140 1
1 648 . 14 1 1 A 54 54 GLY HA2 H 54 3.939 3.929 0.010 1
1 649 . 14 1 1 A 54 54 GLY HA3 H 54 3.867 3.933 -0.066 1
1 650 . 14 1 1 A 54 54 GLY C C 54 174.591 175.120 -0.529 1
1 651 . 14 1 1 A 54 54 GLY CA C 54 45.776 46.160 -0.384 1
1 652 . 14 1 1 A 54 54 GLY N N 54 110.315 108.909 1.406 1
1 653 . 14 1 1 A 55 55 LEU H H 55 7.846 7.779 0.067 1
1 654 . 14 1 1 A 55 55 LEU HA H 55 4.174 4.238 -0.064 1
1 664 . 14 1 1 A 55 55 LEU C C 55 177.315 176.631 0.684 1
1 665 . 14 1 1 A 55 55 LEU CA C 55 55.716 57.342 -1.626 1
1 666 . 14 1 1 A 55 55 LEU CB C 55 42.103 43.227 -1.124 1
1 670 . 14 1 1 A 55 55 LEU N N 55 121.456 122.130 -0.674 1
1 671 . 14 1 1 A 56 56 TYR H H 56 7.960 7.211 0.749 1
1 672 . 14 1 1 A 56 56 TYR HA H 56 4.450 4.785 -0.335 1
1 679 . 14 1 1 A 56 56 TYR C C 56 176.206 174.746 1.460 1
1 680 . 14 1 1 A 56 56 TYR CA C 56 58.242 57.083 1.159 1
1 681 . 14 1 1 A 56 56 TYR CB C 56 38.478 39.649 -1.171 1
1 686 . 14 1 1 A 56 56 TYR N N 56 119.665 118.382 1.283 1
1 687 . 14 1 1 A 57 57 LYS H H 57 8.015 7.250 0.765 1
1 688 . 14 1 1 A 57 57 LYS HA H 57 4.154 4.552 -0.398 1
1 697 . 14 1 1 A 57 57 LYS C C 57 176.553 176.523 0.030 1
1 698 . 14 1 1 A 57 57 LYS CA C 57 56.656 55.053 1.603 1
1 699 . 14 1 1 A 57 57 LYS CB C 57 32.870 32.772 0.098 1
1 703 . 14 1 1 A 57 57 LYS N N 57 122.012 121.146 0.866 1
1 704 . 14 1 1 A 58 58 LEU H H 58 8.035 8.149 -0.114 1
1 705 . 14 1 1 A 58 58 LEU HA H 58 4.185 4.151 0.034 1
1 715 . 14 1 1 A 58 58 LEU C C 58 177.527 176.956 0.571 1
1 716 . 14 1 1 A 58 58 LEU CA C 58 55.574 57.496 -1.922 1
1 717 . 14 1 1 A 58 58 LEU CB C 58 42.175 41.462 0.713 1
1 721 . 14 1 1 A 58 58 LEU N N 58 122.265 122.283 -0.018 1
1 722 . 14 1 1 A 59 59 GLU H H 59 8.253 7.884 0.369 1
1 723 . 14 1 1 A 59 59 GLU HA H 59 4.123 3.816 0.307 1
1 728 . 14 1 1 A 59 59 GLU C C 59 176.231 175.572 0.659 1
1 729 . 14 1 1 A 59 59 GLU CA C 59 56.658 58.246 -1.588 1
1 730 . 14 1 1 A 59 59 GLU CB C 59 30.246 28.107 2.139 1
1 732 . 14 1 1 A 59 59 GLU N N 59 120.313 118.592 1.721 1
1 7 . 15 1 1 A 2 2 LYS H H 2 8.138 8.949 -0.811 1
1 8 . 15 1 1 A 2 2 LYS HA H 2 4.325 3.790 0.535 1
1 17 . 15 1 1 A 2 2 LYS C C 2 176.460 176.436 0.024 1
1 18 . 15 1 1 A 2 2 LYS CA C 2 56.632 57.185 -0.553 1
1 19 . 15 1 1 A 2 2 LYS CB C 2 33.087 29.306 3.781 1
1 23 . 15 1 1 A 2 2 LYS N N 2 125.275 123.338 1.937 1
1 24 . 15 1 1 A 3 3 ARG H H 3 8.624 8.037 0.587 1
1 25 . 15 1 1 A 3 3 ARG HA H 3 4.220 4.562 -0.342 1
1 32 . 15 1 1 A 3 3 ARG C C 3 176.426 175.445 0.981 1
1 33 . 15 1 1 A 3 3 ARG CA C 3 56.705 54.856 1.849 1
1 34 . 15 1 1 A 3 3 ARG CB C 3 30.577 31.110 -0.533 1
1 37 . 15 1 1 A 3 3 ARG N N 3 123.963 116.927 7.036 1
1 38 . 15 1 1 A 4 4 GLN H H 4 8.613 7.484 1.129 1
1 39 . 15 1 1 A 4 4 GLN HA H 4 4.221 4.243 -0.022 1
1 46 . 15 1 1 A 4 4 GLN C C 4 176.604 176.778 -0.174 1
1 47 . 15 1 1 A 4 4 GLN CA C 4 56.626 56.282 0.344 1
1 48 . 15 1 1 A 4 4 GLN CB C 4 29.536 29.070 0.466 1
1 50 . 15 1 1 A 4 4 GLN N N 4 121.223 120.365 0.858 1
1 52 . 15 1 1 A 5 5 LYS H H 5 8.180 8.652 -0.472 1
1 53 . 15 1 1 A 5 5 LYS HA H 5 4.161 4.020 0.141 1
1 62 . 15 1 1 A 5 5 LYS C C 5 176.971 178.745 -1.774 1
1 63 . 15 1 1 A 5 5 LYS CA C 5 57.367 58.938 -1.571 1
1 64 . 15 1 1 A 5 5 LYS CB C 5 32.873 32.143 0.730 1
1 68 . 15 1 1 A 5 5 LYS N N 5 122.464 124.331 -1.867 1
1 69 . 15 1 1 A 6 6 ARG H H 6 8.345 7.886 0.459 1
1 70 . 15 1 1 A 6 6 ARG HA H 6 4.119 3.959 0.160 1
1 77 . 15 1 1 A 6 6 ARG C C 6 176.908 178.126 -1.218 1
1 78 . 15 1 1 A 6 6 ARG CA C 6 57.246 58.761 -1.515 1
1 79 . 15 1 1 A 6 6 ARG CB C 6 30.166 29.443 0.723 1
1 82 . 15 1 1 A 6 6 ARG N N 6 121.458 119.661 1.797 1
1 83 . 15 1 1 A 7 7 ASP H H 7 8.422 8.261 0.161 1
1 84 . 15 1 1 A 7 7 ASP HA H 7 4.414 4.276 0.138 1
1 87 . 15 1 1 A 7 7 ASP C C 7 177.562 178.274 -0.712 1
1 88 . 15 1 1 A 7 7 ASP CA C 7 55.809 57.174 -1.365 1
1 89 . 15 1 1 A 7 7 ASP CB C 7 41.064 42.047 -0.983 1
1 90 . 15 1 1 A 7 7 ASP N N 7 120.954 119.794 1.160 1
1 91 . 15 1 1 A 8 8 ARG H H 8 8.061 8.168 -0.107 1
1 92 . 15 1 1 A 8 8 ARG HA H 8 3.971 4.123 -0.152 1
1 99 . 15 1 1 A 8 8 ARG C C 8 178.412 177.840 0.572 1
1 100 . 15 1 1 A 8 8 ARG CA C 8 59.160 58.698 0.462 1
1 101 . 15 1 1 A 8 8 ARG CB C 8 30.192 29.842 0.350 1
1 104 . 15 1 1 A 8 8 ARG N N 8 119.853 118.169 1.684 1
1 105 . 15 1 1 A 9 9 LEU H H 9 7.801 7.583 0.218 1
1 106 . 15 1 1 A 9 9 LEU HA H 9 3.727 3.973 -0.246 1
1 116 . 15 1 1 A 9 9 LEU C C 9 178.182 178.567 -0.385 1
1 117 . 15 1 1 A 9 9 LEU CA C 9 57.192 56.090 1.102 1
1 118 . 15 1 1 A 9 9 LEU CB C 9 38.370 41.265 -2.895 1
1 122 . 15 1 1 A 9 9 LEU N N 9 121.052 120.358 0.694 1
1 123 . 15 1 1 A 10 10 GLU H H 10 8.172 8.447 -0.275 1
1 124 . 15 1 1 A 10 10 GLU HA H 10 4.014 4.022 -0.008 1
1 129 . 15 1 1 A 10 10 GLU C C 10 180.022 178.328 1.694 1
1 130 . 15 1 1 A 10 10 GLU CA C 10 59.504 58.957 0.547 1
1 131 . 15 1 1 A 10 10 GLU CB C 10 29.451 29.024 0.427 1
1 133 . 15 1 1 A 10 10 GLU N N 10 120.463 120.438 0.025 1
1 134 . 15 1 1 A 11 11 ARG H H 11 8.202 7.847 0.355 1
1 135 . 15 1 1 A 11 11 ARG HA H 11 4.117 4.090 0.027 1
1 142 . 15 1 1 A 11 11 ARG C C 11 178.321 177.921 0.400 1
1 143 . 15 1 1 A 11 11 ARG CA C 11 59.328 58.584 0.744 1
1 144 . 15 1 1 A 11 11 ARG CB C 11 29.798 29.737 0.061 1
1 147 . 15 1 1 A 11 11 ARG N N 11 119.987 119.499 0.488 1
1 148 . 15 1 1 A 12 12 ALA H H 12 7.661 7.768 -0.107 1
1 149 . 15 1 1 A 12 12 ALA HA H 12 4.603 3.592 1.011 1
1 153 . 15 1 1 A 12 12 ALA C C 12 179.757 179.443 0.314 1
1 154 . 15 1 1 A 12 12 ALA CA C 12 55.536 54.793 0.743 1
1 155 . 15 1 1 A 12 12 ALA CB C 12 18.423 17.956 0.467 1
1 156 . 15 1 1 A 12 12 ALA N N 12 122.208 121.286 0.922 1
1 157 . 15 1 1 A 13 13 GLN H H 13 8.205 8.240 -0.035 1
1 158 . 15 1 1 A 13 13 GLN HA H 13 4.332 4.112 0.220 1
1 165 . 15 1 1 A 13 13 GLN C C 13 178.128 178.126 0.002 1
1 166 . 15 1 1 A 13 13 GLN CA C 13 59.565 58.346 1.219 1
1 167 . 15 1 1 A 13 13 GLN CB C 13 29.572 29.025 0.547 1
1 169 . 15 1 1 A 13 13 GLN N N 13 118.449 119.321 -0.872 1
1 171 . 15 1 1 A 14 14 SER H H 14 8.245 7.624 0.621 1
1 172 . 15 1 1 A 14 14 SER HA H 14 4.281 4.178 0.103 1
1 175 . 15 1 1 A 14 14 SER C C 14 177.751 177.405 0.346 1
1 176 . 15 1 1 A 14 14 SER CA C 14 61.583 61.465 0.118 1
1 177 . 15 1 1 A 14 14 SER CB C 14 62.897 62.746 0.151 1
1 178 . 15 1 1 A 14 14 SER N N 14 115.275 114.225 1.050 1
1 179 . 15 1 1 A 15 15 GLN H H 15 8.686 8.598 0.088 1
1 180 . 15 1 1 A 15 15 GLN HA H 15 4.124 4.083 0.041 1
1 187 . 15 1 1 A 15 15 GLN C C 15 179.621 178.507 1.114 1
1 188 . 15 1 1 A 15 15 GLN CA C 15 58.803 59.327 -0.524 1
1 189 . 15 1 1 A 15 15 GLN CB C 15 28.201 28.270 -0.069 1
1 191 . 15 1 1 A 15 15 GLN N N 15 121.722 120.695 1.027 1
1 193 . 15 1 1 A 16 16 GLY H H 16 8.439 8.684 -0.245 1
1 194 . 15 1 1 A 16 16 GLY HA2 H 16 1.849 2.612 -0.763 1
1 195 . 15 1 1 A 16 16 GLY HA3 H 16 3.742 3.011 0.731 1
1 196 . 15 1 1 A 16 16 GLY C C 16 175.080 175.042 0.038 1
1 197 . 15 1 1 A 16 16 GLY CA C 16 45.784 46.646 -0.862 1
1 198 . 15 1 1 A 16 16 GLY N N 16 113.363 106.928 6.435 1
1 199 . 15 1 1 A 17 17 TYR H H 17 8.167 7.961 0.206 1
1 200 . 15 1 1 A 17 17 TYR HA H 17 4.014 3.924 0.090 1
1 207 . 15 1 1 A 17 17 TYR C C 17 177.200 177.730 -0.530 1
1 208 . 15 1 1 A 17 17 TYR CA C 17 60.567 60.950 -0.383 1
1 209 . 15 1 1 A 17 17 TYR CB C 17 38.755 38.423 0.332 1
1 214 . 15 1 1 A 17 17 TYR N N 17 123.123 123.549 -0.426 1
1 215 . 15 1 1 A 18 18 LYS H H 18 8.003 7.905 0.098 1
1 216 . 15 1 1 A 18 18 LYS HA H 18 3.681 4.087 -0.406 1
1 225 . 15 1 1 A 18 18 LYS C C 18 178.838 178.503 0.335 1
1 226 . 15 1 1 A 18 18 LYS CA C 18 59.677 58.955 0.722 1
1 227 . 15 1 1 A 18 18 LYS CB C 18 32.393 31.954 0.439 1
1 231 . 15 1 1 A 18 18 LYS N N 18 117.920 119.222 -1.302 1
1 232 . 15 1 1 A 19 19 ALA H H 19 8.067 8.130 -0.063 1
1 233 . 15 1 1 A 19 19 ALA HA H 19 4.194 4.192 0.002 1
1 237 . 15 1 1 A 19 19 ALA C C 19 180.263 179.868 0.395 1
1 238 . 15 1 1 A 19 19 ALA CA C 19 55.349 54.836 0.513 1
1 239 . 15 1 1 A 19 19 ALA CB C 19 19.039 18.282 0.757 1
1 240 . 15 1 1 A 19 19 ALA N N 19 120.778 122.074 -1.296 1
1 241 . 15 1 1 A 20 20 GLY H H 20 8.527 8.153 0.374 1
1 242 . 15 1 1 A 20 20 GLY HA2 H 20 3.101 2.872 0.229 1
1 243 . 15 1 1 A 20 20 GLY HA3 H 20 3.303 3.157 0.146 1
1 244 . 15 1 1 A 20 20 GLY C C 20 177.818 175.328 2.490 1
1 245 . 15 1 1 A 20 20 GLY CA C 20 47.102 46.469 0.633 1
1 246 . 15 1 1 A 20 20 GLY N N 20 107.003 105.951 1.052 1
1 247 . 15 1 1 A 21 21 LEU H H 21 8.310 7.603 0.707 1
1 248 . 15 1 1 A 21 21 LEU HA H 21 3.696 4.121 -0.425 1
1 258 . 15 1 1 A 21 21 LEU C C 21 178.603 178.268 0.335 1
1 259 . 15 1 1 A 21 21 LEU CA C 21 57.417 56.850 0.567 1
1 260 . 15 1 1 A 21 21 LEU CB C 21 41.798 42.818 -1.020 1
1 264 . 15 1 1 A 21 21 LEU N N 21 124.762 121.631 3.131 1
1 265 . 15 1 1 A 22 22 ASN H H 22 7.628 8.868 -1.240 1
1 266 . 15 1 1 A 22 22 ASN HA H 22 4.701 4.609 0.092 1
1 271 . 15 1 1 A 22 22 ASN C C 22 175.456 178.556 -3.100 1
1 272 . 15 1 1 A 22 22 ASN CA C 22 53.292 55.389 -2.097 1
1 273 . 15 1 1 A 22 22 ASN CB C 22 39.188 38.346 0.842 1
1 274 . 15 1 1 A 22 22 ASN N N 22 114.867 114.967 -0.100 1
1 276 . 15 1 1 A 23 23 GLY H H 23 7.586 8.260 -0.674 1
1 277 . 15 1 1 A 23 23 GLY HA2 H 23 3.810 3.935 -0.125 1
1 278 . 15 1 1 A 23 23 GLY HA3 H 23 4.102 4.018 0.084 1
1 279 . 15 1 1 A 23 23 GLY C C 23 175.226 175.130 0.096 1
1 280 . 15 1 1 A 23 23 GLY CA C 23 46.302 46.878 -0.576 1
1 281 . 15 1 1 A 23 23 GLY N N 23 106.650 109.541 -2.891 1
1 282 . 15 1 1 A 24 24 ARG H H 24 8.156 7.955 0.201 1
1 283 . 15 1 1 A 24 24 ARG HA H 24 4.508 4.238 0.270 1
1 290 . 15 1 1 A 24 24 ARG C C 24 177.405 175.333 2.072 1
1 291 . 15 1 1 A 24 24 ARG CA C 24 55.103 58.285 -3.182 1
1 292 . 15 1 1 A 24 24 ARG CB C 24 30.537 30.246 0.291 1
1 295 . 15 1 1 A 24 24 ARG N N 24 118.161 119.952 -1.791 1
1 296 . 15 1 1 A 25 25 SER H H 25 9.015 8.834 0.181 1
1 297 . 15 1 1 A 25 25 SER HA H 25 4.804 5.170 -0.366 1
1 300 . 15 1 1 A 25 25 SER C C 25 175.005 174.289 0.716 1
1 301 . 15 1 1 A 25 25 SER CA C 25 57.752 57.335 0.417 1
1 302 . 15 1 1 A 25 25 SER CB C 25 64.687 66.333 -1.646 1
1 303 . 15 1 1 A 25 25 SER N N 25 119.720 113.313 6.407 1
1 304 . 15 1 1 A 26 26 GLN H H 26 8.662 8.544 0.118 1
1 305 . 15 1 1 A 26 26 GLN HA H 26 3.162 4.282 -1.120 1
1 312 . 15 1 1 A 26 26 GLN C C 26 177.736 177.517 0.219 1
1 313 . 15 1 1 A 26 26 GLN CA C 26 58.643 57.245 1.398 1
1 314 . 15 1 1 A 26 26 GLN CB C 26 27.352 28.343 -0.991 1
1 316 . 15 1 1 A 26 26 GLN N N 26 120.247 123.245 -2.998 1
1 318 . 15 1 1 A 27 27 GLU H H 27 8.244 8.063 0.181 1
1 319 . 15 1 1 A 27 27 GLU HA H 27 3.886 4.074 -0.188 1
1 324 . 15 1 1 A 27 27 GLU C C 27 176.177 177.736 -1.559 1
1 325 . 15 1 1 A 27 27 GLU CA C 27 57.807 58.324 -0.517 1
1 326 . 15 1 1 A 27 27 GLU CB C 27 28.583 29.604 -1.021 1
1 328 . 15 1 1 A 27 27 GLU N N 27 117.869 120.679 -2.810 1
1 329 . 15 1 1 A 28 28 ALA H H 28 7.451 7.785 -0.334 1
1 330 . 15 1 1 A 28 28 ALA HA H 28 4.070 4.422 -0.352 1
1 334 . 15 1 1 A 28 28 ALA C C 28 176.063 176.652 -0.589 1
1 335 . 15 1 1 A 28 28 ALA CA C 28 51.945 51.658 0.287 1
1 336 . 15 1 1 A 28 28 ALA CB C 28 18.113 18.858 -0.745 1
1 337 . 15 1 1 A 28 28 ALA N N 28 120.356 120.646 -0.290 1
1 338 . 15 1 1 A 29 29 CYS H H 29 6.591 7.367 -0.776 1
1 339 . 15 1 1 A 29 29 CYS HA H 29 1.828 3.948 -2.120 1
1 342 . 15 1 1 A 29 29 CYS CA C 29 56.231 55.132 1.099 1
1 343 . 15 1 1 A 29 29 CYS CB C 29 27.778 27.389 0.389 1
1 344 . 15 1 1 A 29 29 CYS N N 29 121.588 119.238 2.350 1
1 345 . 15 1 1 A 30 30 PRO HA H 30 4.323 4.405 -0.082 1
1 352 . 15 1 1 A 30 30 PRO C C 30 175.515 175.826 -0.311 1
1 353 . 15 1 1 A 30 30 PRO CA C 30 63.382 63.768 -0.386 1
1 354 . 15 1 1 A 30 30 PRO CB C 30 31.551 32.753 -1.202 1
1 357 . 15 1 1 A 31 31 TYR H H 31 6.804 7.985 -1.181 1
1 358 . 15 1 1 A 31 31 TYR HA H 31 4.582 4.417 0.165 1
1 365 . 15 1 1 A 31 31 TYR C C 31 174.785 175.635 -0.850 1
1 366 . 15 1 1 A 31 31 TYR CA C 31 58.348 60.196 -1.848 1
1 367 . 15 1 1 A 31 31 TYR CB C 31 41.030 39.209 1.821 1
1 372 . 15 1 1 A 31 31 TYR N N 31 118.903 120.337 -1.434 1
1 373 . 15 1 1 A 32 32 GLN H H 32 8.763 7.754 1.009 1
1 374 . 15 1 1 A 32 32 GLN HA H 32 4.344 4.676 -0.332 1
1 381 . 15 1 1 A 32 32 GLN C C 32 176.528 174.725 1.803 1
1 382 . 15 1 1 A 32 32 GLN CA C 32 55.996 54.795 1.201 1
1 383 . 15 1 1 A 32 32 GLN CB C 32 30.182 32.266 -2.084 1
1 385 . 15 1 1 A 32 32 GLN N N 32 120.327 114.697 5.630 1
1 387 . 15 1 1 A 33 33 GLN H H 33 8.230 8.720 -0.490 1
1 388 . 15 1 1 A 33 33 GLN HA H 33 4.262 4.408 -0.146 1
1 395 . 15 1 1 A 33 33 GLN C C 33 177.216 177.623 -0.407 1
1 396 . 15 1 1 A 33 33 GLN CA C 33 56.931 57.546 -0.615 1
1 397 . 15 1 1 A 33 33 GLN CB C 33 28.699 29.328 -0.629 1
1 399 . 15 1 1 A 33 33 GLN N N 33 121.712 121.513 0.199 1
1 401 . 15 1 1 A 34 34 VAL H H 34 8.484 8.040 0.444 1
1 402 . 15 1 1 A 34 34 VAL HA H 34 3.551 3.536 0.015 1
1 410 . 15 1 1 A 34 34 VAL C C 34 177.685 177.745 -0.060 1
1 411 . 15 1 1 A 34 34 VAL CA C 34 66.570 65.941 0.629 1
1 412 . 15 1 1 A 34 34 VAL CB C 34 31.946 31.693 0.253 1
1 415 . 15 1 1 A 34 34 VAL N N 34 122.145 120.058 2.087 1
1 416 . 15 1 1 A 35 35 ASP H H 35 8.324 8.402 -0.078 1
1 417 . 15 1 1 A 35 35 ASP HA H 35 4.434 4.464 -0.030 1
1 420 . 15 1 1 A 35 35 ASP C C 35 177.892 178.710 -0.818 1
1 421 . 15 1 1 A 35 35 ASP CA C 35 56.826 57.383 -0.557 1
1 422 . 15 1 1 A 35 35 ASP CB C 35 38.807 40.076 -1.269 1
1 423 . 15 1 1 A 35 35 ASP N N 35 120.937 119.697 1.240 1
1 424 . 15 1 1 A 36 36 ALA H H 36 8.431 8.217 0.214 1
1 425 . 15 1 1 A 36 36 ALA HA H 36 3.598 4.225 -0.627 1
1 429 . 15 1 1 A 36 36 ALA C C 36 178.949 179.551 -0.602 1
1 430 . 15 1 1 A 36 36 ALA CA C 36 55.327 55.045 0.282 1
1 431 . 15 1 1 A 36 36 ALA CB C 36 17.371 18.165 -0.794 1
1 432 . 15 1 1 A 36 36 ALA N N 36 126.210 123.044 3.166 1
1 433 . 15 1 1 A 37 37 ARG H H 37 8.458 7.763 0.695 1
1 434 . 15 1 1 A 37 37 ARG HA H 37 3.857 4.175 -0.318 1
1 442 . 15 1 1 A 37 37 ARG C C 37 177.746 179.085 -1.339 1
1 443 . 15 1 1 A 37 37 ARG CA C 37 60.636 60.047 0.589 1
1 444 . 15 1 1 A 37 37 ARG CB C 37 29.931 30.115 -0.184 1
1 447 . 15 1 1 A 37 37 ARG N N 37 116.717 118.993 -2.276 1
1 449 . 15 1 1 A 38 38 SER H H 38 8.173 7.693 0.480 1
1 450 . 15 1 1 A 38 38 SER HA H 38 4.130 4.226 -0.096 1
1 451 . 15 1 1 A 38 38 SER C C 38 178.293 176.056 2.237 1
1 452 . 15 1 1 A 38 38 SER CA C 38 62.627 61.320 1.307 1
1 453 . 15 1 1 A 38 38 SER N N 38 114.110 114.958 -0.848 1
1 454 . 15 1 1 A 39 39 TYR H H 39 8.343 7.404 0.939 1
1 455 . 15 1 1 A 39 39 TYR HA H 39 4.213 4.486 -0.273 1
1 462 . 15 1 1 A 39 39 TYR C C 39 178.701 178.651 0.050 1
1 463 . 15 1 1 A 39 39 TYR CA C 39 62.466 60.344 2.122 1
1 464 . 15 1 1 A 39 39 TYR CB C 39 38.687 39.306 -0.619 1
1 469 . 15 1 1 A 39 39 TYR N N 39 123.318 118.306 5.012 1
1 470 . 15 1 1 A 40 40 TRP H H 40 8.818 8.267 0.551 1
1 471 . 15 1 1 A 40 40 TRP HA H 40 4.586 4.656 -0.070 1
1 480 . 15 1 1 A 40 40 TRP C C 40 179.359 178.085 1.274 1
1 481 . 15 1 1 A 40 40 TRP CA C 40 61.953 60.440 1.513 1
1 482 . 15 1 1 A 40 40 TRP CB C 40 31.349 29.742 1.607 1
1 488 . 15 1 1 A 40 40 TRP N N 40 123.286 120.884 2.402 1
1 490 . 15 1 1 A 41 41 LEU H H 41 9.368 8.378 0.990 1
1 491 . 15 1 1 A 41 41 LEU HA H 41 4.405 4.309 0.096 1
1 501 . 15 1 1 A 41 41 LEU C C 41 179.498 178.944 0.554 1
1 502 . 15 1 1 A 41 41 LEU CA C 41 58.206 57.624 0.582 1
1 503 . 15 1 1 A 41 41 LEU CB C 41 41.754 41.986 -0.232 1
1 507 . 15 1 1 A 41 41 LEU N N 41 119.265 121.036 -1.771 1
1 508 . 15 1 1 A 42 42 GLY H H 42 8.283 8.113 0.170 1
1 509 . 15 1 1 A 42 42 GLY HA2 H 42 3.857 3.747 0.110 1
1 510 . 15 1 1 A 42 42 GLY HA3 H 42 3.929 3.772 0.157 1
1 511 . 15 1 1 A 42 42 GLY C C 42 176.508 176.740 -0.232 1
1 512 . 15 1 1 A 42 42 GLY CA C 42 47.412 47.524 -0.112 1
1 513 . 15 1 1 A 42 42 GLY N N 42 108.413 107.009 1.404 1
1 514 . 15 1 1 A 43 43 GLY H H 43 8.181 8.438 -0.257 1
1 515 . 15 1 1 A 43 43 GLY HA2 H 43 4.124 3.805 0.319 1
1 516 . 15 1 1 A 43 43 GLY HA3 H 43 4.258 3.850 0.408 1
1 517 . 15 1 1 A 43 43 GLY C C 43 174.891 175.668 -0.777 1
1 518 . 15 1 1 A 43 43 GLY CA C 43 47.341 47.107 0.234 1
1 519 . 15 1 1 A 43 43 GLY N N 43 109.904 108.851 1.053 1
1 520 . 15 1 1 A 44 44 TRP H H 44 8.460 8.087 0.373 1
1 521 . 15 1 1 A 44 44 TRP HA H 44 3.578 4.124 -0.546 1
1 530 . 15 1 1 A 44 44 TRP C C 44 178.547 178.359 0.188 1
1 531 . 15 1 1 A 44 44 TRP CA C 44 62.646 60.046 2.600 1
1 532 . 15 1 1 A 44 44 TRP CB C 44 29.467 29.330 0.137 1
1 538 . 15 1 1 A 44 44 TRP N N 44 124.152 124.154 -0.002 1
1 540 . 15 1 1 A 45 45 ARG H H 45 8.759 8.821 -0.062 1
1 541 . 15 1 1 A 45 45 ARG HA H 45 3.669 4.006 -0.337 1
1 549 . 15 1 1 A 45 45 ARG C C 45 178.784 178.251 0.533 1
1 550 . 15 1 1 A 45 45 ARG CA C 45 59.785 59.762 0.023 1
1 551 . 15 1 1 A 45 45 ARG CB C 45 30.295 30.154 0.141 1
1 554 . 15 1 1 A 45 45 ARG N N 45 118.655 118.391 0.264 1
1 556 . 15 1 1 A 46 46 ASP H H 46 8.084 8.474 -0.390 1
1 557 . 15 1 1 A 46 46 ASP HA H 46 4.362 4.261 0.101 1
1 560 . 15 1 1 A 46 46 ASP C C 46 178.818 178.024 0.794 1
1 561 . 15 1 1 A 46 46 ASP CA C 46 57.518 57.889 -0.371 1
1 562 . 15 1 1 A 46 46 ASP CB C 46 39.752 41.816 -2.064 1
1 563 . 15 1 1 A 46 46 ASP N N 46 120.646 119.384 1.262 1
1 564 . 15 1 1 A 47 47 ALA H H 47 7.873 7.897 -0.024 1
1 565 . 15 1 1 A 47 47 ALA HA H 47 3.627 3.763 -0.136 1
1 569 . 15 1 1 A 47 47 ALA C C 47 179.397 179.175 0.222 1
1 570 . 15 1 1 A 47 47 ALA CA C 47 54.962 54.740 0.222 1
1 571 . 15 1 1 A 47 47 ALA CB C 47 18.940 17.837 1.103 1
1 572 . 15 1 1 A 47 47 ALA N N 47 122.126 121.447 0.679 1
1 573 . 15 1 1 A 48 48 ARG H H 48 7.587 7.572 0.015 1
1 574 . 15 1 1 A 48 48 ARG HA H 48 3.538 3.719 -0.181 1
1 582 . 15 1 1 A 48 48 ARG C C 48 178.647 178.935 -0.288 1
1 583 . 15 1 1 A 48 48 ARG CA C 48 57.880 59.097 -1.217 1
1 584 . 15 1 1 A 48 48 ARG CB C 48 28.753 29.302 -0.549 1
1 587 . 15 1 1 A 48 48 ARG N N 48 117.721 118.351 -0.630 1
1 589 . 15 1 1 A 49 49 ASP H H 49 8.249 8.929 -0.680 1
1 590 . 15 1 1 A 49 49 ASP HA H 49 4.383 4.366 0.017 1
1 593 . 15 1 1 A 49 49 ASP C C 49 178.360 178.925 -0.565 1
1 594 . 15 1 1 A 49 49 ASP CA C 49 56.330 56.752 -0.422 1
1 595 . 15 1 1 A 49 49 ASP CB C 49 40.401 40.478 -0.077 1
1 596 . 15 1 1 A 49 49 ASP N N 49 119.997 119.667 0.330 1
1 597 . 15 1 1 A 50 50 GLU H H 50 8.060 7.583 0.477 1
1 598 . 15 1 1 A 50 50 GLU HA H 50 4.007 4.008 -0.001 1
1 603 . 15 1 1 A 50 50 GLU C C 50 178.675 178.672 0.003 1
1 604 . 15 1 1 A 50 50 GLU CA C 50 58.740 58.821 -0.081 1
1 605 . 15 1 1 A 50 50 GLU CB C 50 29.585 29.840 -0.255 1
1 607 . 15 1 1 A 50 50 GLU N N 50 121.823 119.608 2.215 1
1 608 . 15 1 1 A 51 51 LYS H H 51 8.089 7.547 0.542 1
1 609 . 15 1 1 A 51 51 LYS HA H 51 4.057 4.152 -0.095 1
1 618 . 15 1 1 A 51 51 LYS C C 51 178.241 178.728 -0.487 1
1 619 . 15 1 1 A 51 51 LYS CA C 51 57.727 57.563 0.164 1
1 620 . 15 1 1 A 51 51 LYS CB C 51 32.090 32.538 -0.448 1
1 624 . 15 1 1 A 51 51 LYS N N 51 119.415 118.467 0.948 1
1 625 . 15 1 1 A 52 52 GLN H H 52 8.043 7.847 0.196 1
1 626 . 15 1 1 A 52 52 GLN HA H 52 4.189 4.045 0.144 1
1 633 . 15 1 1 A 52 52 GLN C C 52 176.965 178.201 -1.236 1
1 634 . 15 1 1 A 52 52 GLN CA C 52 56.977 58.768 -1.791 1
1 635 . 15 1 1 A 52 52 GLN CB C 52 28.858 28.505 0.353 1
1 637 . 15 1 1 A 52 52 GLN N N 52 118.262 120.487 -2.225 1
1 639 . 15 1 1 A 53 53 SER H H 53 8.088 7.923 0.165 1
1 640 . 15 1 1 A 53 53 SER HA H 53 4.339 4.423 -0.084 1
1 643 . 15 1 1 A 53 53 SER C C 53 175.679 177.410 -1.731 1
1 644 . 15 1 1 A 53 53 SER CA C 53 59.492 62.229 -2.737 1
1 645 . 15 1 1 A 53 53 SER CB C 53 63.849 63.072 0.777 1
1 646 . 15 1 1 A 53 53 SER N N 53 114.966 117.463 -2.497 1
1 647 . 15 1 1 A 54 54 GLY H H 54 8.228 8.163 0.065 1
1 648 . 15 1 1 A 54 54 GLY HA2 H 54 3.939 3.809 0.130 1
1 649 . 15 1 1 A 54 54 GLY HA3 H 54 3.867 3.814 0.053 1
1 650 . 15 1 1 A 54 54 GLY C C 54 174.591 175.514 -0.923 1
1 651 . 15 1 1 A 54 54 GLY CA C 54 45.776 47.392 -1.616 1
1 652 . 15 1 1 A 54 54 GLY N N 54 110.315 109.747 0.568 1
1 653 . 15 1 1 A 55 55 LEU H H 55 7.846 7.640 0.206 1
1 654 . 15 1 1 A 55 55 LEU HA H 55 4.174 4.223 -0.049 1
1 664 . 15 1 1 A 55 55 LEU C C 55 177.315 176.423 0.892 1
1 665 . 15 1 1 A 55 55 LEU CA C 55 55.716 57.061 -1.345 1
1 666 . 15 1 1 A 55 55 LEU CB C 55 42.103 42.364 -0.261 1
1 670 . 15 1 1 A 55 55 LEU N N 55 121.456 122.796 -1.340 1
1 671 . 15 1 1 A 56 56 TYR H H 56 7.960 8.417 -0.457 1
1 672 . 15 1 1 A 56 56 TYR HA H 56 4.450 4.135 0.315 1
1 679 . 15 1 1 A 56 56 TYR C C 56 176.206 175.311 0.895 1
1 680 . 15 1 1 A 56 56 TYR CA C 56 58.242 59.029 -0.787 1
1 681 . 15 1 1 A 56 56 TYR CB C 56 38.478 37.256 1.222 1
1 686 . 15 1 1 A 56 56 TYR N N 56 119.665 119.222 0.443 1
1 687 . 15 1 1 A 57 57 LYS H H 57 8.015 7.904 0.111 1
1 688 . 15 1 1 A 57 57 LYS HA H 57 4.154 4.458 -0.304 1
1 697 . 15 1 1 A 57 57 LYS C C 57 176.553 175.987 0.566 1
1 698 . 15 1 1 A 57 57 LYS CA C 57 56.656 55.250 1.406 1
1 699 . 15 1 1 A 57 57 LYS CB C 57 32.870 32.430 0.440 1
1 703 . 15 1 1 A 57 57 LYS N N 57 122.012 119.703 2.309 1
1 704 . 15 1 1 A 58 58 LEU H H 58 8.035 8.006 0.029 1
1 705 . 15 1 1 A 58 58 LEU HA H 58 4.185 3.786 0.399 1
1 715 . 15 1 1 A 58 58 LEU C C 58 177.527 176.704 0.823 1
1 716 . 15 1 1 A 58 58 LEU CA C 58 55.574 57.907 -2.333 1
1 717 . 15 1 1 A 58 58 LEU CB C 58 42.175 41.234 0.941 1
1 721 . 15 1 1 A 58 58 LEU N N 58 122.265 123.491 -1.226 1
1 722 . 15 1 1 A 59 59 GLU H H 59 8.253 7.582 0.671 1
1 723 . 15 1 1 A 59 59 GLU HA H 59 4.123 4.013 0.110 1
1 728 . 15 1 1 A 59 59 GLU C C 59 176.231 175.814 0.417 1
1 729 . 15 1 1 A 59 59 GLU CA C 59 56.658 57.201 -0.543 1
1 730 . 15 1 1 A 59 59 GLU CB C 59 30.246 30.496 -0.250 1
1 732 . 15 1 1 A 59 59 GLU N N 59 120.313 120.532 -0.219 1
1 7 . 16 1 1 A 2 2 LYS H H 2 8.138 8.405 -0.267 1
1 8 . 16 1 1 A 2 2 LYS HA H 2 4.325 4.458 -0.133 1
1 17 . 16 1 1 A 2 2 LYS C C 2 176.460 177.106 -0.646 1
1 18 . 16 1 1 A 2 2 LYS CA C 2 56.632 55.259 1.373 1
1 19 . 16 1 1 A 2 2 LYS CB C 2 33.087 33.594 -0.507 1
1 23 . 16 1 1 A 2 2 LYS N N 2 125.275 119.708 5.567 1
1 24 . 16 1 1 A 3 3 ARG H H 3 8.624 8.854 -0.230 1
1 25 . 16 1 1 A 3 3 ARG HA H 3 4.220 3.904 0.316 1
1 32 . 16 1 1 A 3 3 ARG C C 3 176.426 176.487 -0.061 1
1 33 . 16 1 1 A 3 3 ARG CA C 3 56.705 58.765 -2.060 1
1 34 . 16 1 1 A 3 3 ARG CB C 3 30.577 28.118 2.459 1
1 37 . 16 1 1 A 3 3 ARG N N 3 123.963 116.983 6.980 1
1 38 . 16 1 1 A 4 4 GLN H H 4 8.613 8.725 -0.112 1
1 39 . 16 1 1 A 4 4 GLN HA H 4 4.221 4.661 -0.440 1
1 46 . 16 1 1 A 4 4 GLN C C 4 176.604 177.058 -0.454 1
1 47 . 16 1 1 A 4 4 GLN CA C 4 56.626 57.000 -0.374 1
1 48 . 16 1 1 A 4 4 GLN CB C 4 29.536 28.675 0.861 1
1 50 . 16 1 1 A 4 4 GLN N N 4 121.223 117.497 3.726 1
1 52 . 16 1 1 A 5 5 LYS H H 5 8.180 7.845 0.335 1
1 53 . 16 1 1 A 5 5 LYS HA H 5 4.161 3.934 0.227 1
1 62 . 16 1 1 A 5 5 LYS C C 5 176.971 178.529 -1.558 1
1 63 . 16 1 1 A 5 5 LYS CA C 5 57.367 59.523 -2.156 1
1 64 . 16 1 1 A 5 5 LYS CB C 5 32.873 32.091 0.782 1
1 68 . 16 1 1 A 5 5 LYS N N 5 122.464 121.407 1.057 1
1 69 . 16 1 1 A 6 6 ARG H H 6 8.345 7.946 0.399 1
1 70 . 16 1 1 A 6 6 ARG HA H 6 4.119 3.870 0.249 1
1 77 . 16 1 1 A 6 6 ARG C C 6 176.908 178.218 -1.310 1
1 78 . 16 1 1 A 6 6 ARG CA C 6 57.246 59.018 -1.772 1
1 79 . 16 1 1 A 6 6 ARG CB C 6 30.166 29.464 0.702 1
1 82 . 16 1 1 A 6 6 ARG N N 6 121.458 118.925 2.533 1
1 83 . 16 1 1 A 7 7 ASP H H 7 8.422 8.237 0.185 1
1 84 . 16 1 1 A 7 7 ASP HA H 7 4.414 4.243 0.171 1
1 87 . 16 1 1 A 7 7 ASP C C 7 177.562 178.501 -0.939 1
1 88 . 16 1 1 A 7 7 ASP CA C 7 55.809 57.439 -1.630 1
1 89 . 16 1 1 A 7 7 ASP CB C 7 41.064 40.493 0.571 1
1 90 . 16 1 1 A 7 7 ASP N N 7 120.954 118.906 2.048 1
1 91 . 16 1 1 A 8 8 ARG H H 8 8.061 7.689 0.372 1
1 92 . 16 1 1 A 8 8 ARG HA H 8 3.971 3.928 0.043 1
1 99 . 16 1 1 A 8 8 ARG C C 8 178.412 178.092 0.320 1
1 100 . 16 1 1 A 8 8 ARG CA C 8 59.160 58.736 0.424 1
1 101 . 16 1 1 A 8 8 ARG CB C 8 30.192 29.802 0.390 1
1 104 . 16 1 1 A 8 8 ARG N N 8 119.853 117.857 1.996 1
1 105 . 16 1 1 A 9 9 LEU H H 9 7.801 7.556 0.245 1
1 106 . 16 1 1 A 9 9 LEU HA H 9 3.727 4.022 -0.295 1
1 116 . 16 1 1 A 9 9 LEU C C 9 178.182 178.642 -0.460 1
1 117 . 16 1 1 A 9 9 LEU CA C 9 57.192 56.866 0.326 1
1 118 . 16 1 1 A 9 9 LEU CB C 9 38.370 41.178 -2.808 1
1 122 . 16 1 1 A 9 9 LEU N N 9 121.052 120.387 0.665 1
1 123 . 16 1 1 A 10 10 GLU H H 10 8.172 8.551 -0.379 1
1 124 . 16 1 1 A 10 10 GLU HA H 10 4.014 3.949 0.065 1
1 129 . 16 1 1 A 10 10 GLU C C 10 180.022 178.406 1.616 1
1 130 . 16 1 1 A 10 10 GLU CA C 10 59.504 59.034 0.470 1
1 131 . 16 1 1 A 10 10 GLU CB C 10 29.451 29.156 0.295 1
1 133 . 16 1 1 A 10 10 GLU N N 10 120.463 120.556 -0.093 1
1 134 . 16 1 1 A 11 11 ARG H H 11 8.202 7.616 0.586 1
1 135 . 16 1 1 A 11 11 ARG HA H 11 4.117 4.110 0.007 1
1 142 . 16 1 1 A 11 11 ARG C C 11 178.321 178.323 -0.002 1
1 143 . 16 1 1 A 11 11 ARG CA C 11 59.328 58.749 0.579 1
1 144 . 16 1 1 A 11 11 ARG CB C 11 29.798 29.532 0.266 1
1 147 . 16 1 1 A 11 11 ARG N N 11 119.987 119.887 0.100 1
1 148 . 16 1 1 A 12 12 ALA H H 12 7.661 8.226 -0.565 1
1 149 . 16 1 1 A 12 12 ALA HA H 12 4.603 4.112 0.491 1
1 153 . 16 1 1 A 12 12 ALA C C 12 179.757 179.656 0.101 1
1 154 . 16 1 1 A 12 12 ALA CA C 12 55.536 55.164 0.372 1
1 155 . 16 1 1 A 12 12 ALA CB C 12 18.423 18.437 -0.014 1
1 156 . 16 1 1 A 12 12 ALA N N 12 122.208 121.961 0.247 1
1 157 . 16 1 1 A 13 13 GLN H H 13 8.205 8.185 0.020 1
1 158 . 16 1 1 A 13 13 GLN HA H 13 4.332 4.419 -0.087 1
1 165 . 16 1 1 A 13 13 GLN C C 13 178.128 178.374 -0.246 1
1 166 . 16 1 1 A 13 13 GLN CA C 13 59.565 58.078 1.487 1
1 167 . 16 1 1 A 13 13 GLN CB C 13 29.572 29.152 0.420 1
1 169 . 16 1 1 A 13 13 GLN N N 13 118.449 118.995 -0.546 1
1 171 . 16 1 1 A 14 14 SER H H 14 8.245 7.955 0.290 1
1 172 . 16 1 1 A 14 14 SER HA H 14 4.281 4.177 0.104 1
1 175 . 16 1 1 A 14 14 SER C C 14 177.751 176.100 1.651 1
1 176 . 16 1 1 A 14 14 SER CA C 14 61.583 61.649 -0.066 1
1 177 . 16 1 1 A 14 14 SER CB C 14 62.897 62.892 0.005 1
1 178 . 16 1 1 A 14 14 SER N N 14 115.275 117.374 -2.099 1
1 179 . 16 1 1 A 15 15 GLN H H 15 8.686 8.569 0.117 1
1 180 . 16 1 1 A 15 15 GLN HA H 15 4.124 4.098 0.026 1
1 187 . 16 1 1 A 15 15 GLN C C 15 179.621 178.624 0.997 1
1 188 . 16 1 1 A 15 15 GLN CA C 15 58.803 59.530 -0.727 1
1 189 . 16 1 1 A 15 15 GLN CB C 15 28.201 28.458 -0.257 1
1 191 . 16 1 1 A 15 15 GLN N N 15 121.722 121.252 0.470 1
1 193 . 16 1 1 A 16 16 GLY H H 16 8.439 8.583 -0.144 1
1 194 . 16 1 1 A 16 16 GLY HA2 H 16 1.849 2.661 -0.812 1
1 195 . 16 1 1 A 16 16 GLY HA3 H 16 3.742 3.054 0.688 1
1 196 . 16 1 1 A 16 16 GLY C C 16 175.080 175.155 -0.075 1
1 197 . 16 1 1 A 16 16 GLY CA C 16 45.784 46.622 -0.838 1
1 198 . 16 1 1 A 16 16 GLY N N 16 113.363 106.824 6.539 1
1 199 . 16 1 1 A 17 17 TYR H H 17 8.167 7.942 0.225 1
1 200 . 16 1 1 A 17 17 TYR HA H 17 4.014 4.128 -0.114 1
1 207 . 16 1 1 A 17 17 TYR C C 17 177.200 177.771 -0.571 1
1 208 . 16 1 1 A 17 17 TYR CA C 17 60.567 61.011 -0.444 1
1 209 . 16 1 1 A 17 17 TYR CB C 17 38.755 38.742 0.013 1
1 214 . 16 1 1 A 17 17 TYR N N 17 123.123 123.461 -0.338 1
1 215 . 16 1 1 A 18 18 LYS H H 18 8.003 7.855 0.148 1
1 216 . 16 1 1 A 18 18 LYS HA H 18 3.681 4.069 -0.388 1
1 225 . 16 1 1 A 18 18 LYS C C 18 178.838 178.372 0.466 1
1 226 . 16 1 1 A 18 18 LYS CA C 18 59.677 58.658 1.019 1
1 227 . 16 1 1 A 18 18 LYS CB C 18 32.393 31.844 0.549 1
1 231 . 16 1 1 A 18 18 LYS N N 18 117.920 119.170 -1.250 1
1 232 . 16 1 1 A 19 19 ALA H H 19 8.067 8.020 0.047 1
1 233 . 16 1 1 A 19 19 ALA HA H 19 4.194 4.221 -0.027 1
1 237 . 16 1 1 A 19 19 ALA C C 19 180.263 179.352 0.911 1
1 238 . 16 1 1 A 19 19 ALA CA C 19 55.349 54.531 0.818 1
1 239 . 16 1 1 A 19 19 ALA CB C 19 19.039 18.535 0.504 1
1 240 . 16 1 1 A 19 19 ALA N N 19 120.778 122.455 -1.677 1
1 241 . 16 1 1 A 20 20 GLY H H 20 8.527 7.977 0.550 1
1 242 . 16 1 1 A 20 20 GLY HA2 H 20 3.101 3.468 -0.367 1
1 243 . 16 1 1 A 20 20 GLY HA3 H 20 3.303 3.509 -0.206 1
1 244 . 16 1 1 A 20 20 GLY C C 20 177.818 175.009 2.809 1
1 245 . 16 1 1 A 20 20 GLY CA C 20 47.102 45.532 1.570 1
1 246 . 16 1 1 A 20 20 GLY N N 20 107.003 105.920 1.083 1
1 247 . 16 1 1 A 21 21 LEU H H 21 8.310 7.723 0.587 1
1 248 . 16 1 1 A 21 21 LEU HA H 21 3.696 4.162 -0.466 1
1 258 . 16 1 1 A 21 21 LEU C C 21 178.603 178.083 0.520 1
1 259 . 16 1 1 A 21 21 LEU CA C 21 57.417 56.720 0.697 1
1 260 . 16 1 1 A 21 21 LEU CB C 21 41.798 43.095 -1.297 1
1 264 . 16 1 1 A 21 21 LEU N N 21 124.762 121.138 3.624 1
1 265 . 16 1 1 A 22 22 ASN H H 22 7.628 8.857 -1.229 1
1 266 . 16 1 1 A 22 22 ASN HA H 22 4.701 4.742 -0.041 1
1 271 . 16 1 1 A 22 22 ASN C C 22 175.456 178.085 -2.629 1
1 272 . 16 1 1 A 22 22 ASN CA C 22 53.292 55.134 -1.842 1
1 273 . 16 1 1 A 22 22 ASN CB C 22 39.188 38.675 0.513 1
1 274 . 16 1 1 A 22 22 ASN N N 22 114.867 113.966 0.901 1
1 276 . 16 1 1 A 23 23 GLY H H 23 7.586 7.821 -0.235 1
1 277 . 16 1 1 A 23 23 GLY HA2 H 23 3.810 3.909 -0.099 1
1 278 . 16 1 1 A 23 23 GLY HA3 H 23 4.102 3.978 0.124 1
1 279 . 16 1 1 A 23 23 GLY C C 23 175.226 174.918 0.308 1
1 280 . 16 1 1 A 23 23 GLY CA C 23 46.302 46.597 -0.295 1
1 281 . 16 1 1 A 23 23 GLY N N 23 106.650 109.538 -2.888 1
1 282 . 16 1 1 A 24 24 ARG H H 24 8.156 8.108 0.048 1
1 283 . 16 1 1 A 24 24 ARG HA H 24 4.508 4.283 0.225 1
1 290 . 16 1 1 A 24 24 ARG C C 24 177.405 175.646 1.759 1
1 291 . 16 1 1 A 24 24 ARG CA C 24 55.103 58.377 -3.274 1
1 292 . 16 1 1 A 24 24 ARG CB C 24 30.537 30.095 0.442 1
1 295 . 16 1 1 A 24 24 ARG N N 24 118.161 119.967 -1.806 1
1 296 . 16 1 1 A 25 25 SER H H 25 9.015 8.675 0.340 1
1 297 . 16 1 1 A 25 25 SER HA H 25 4.804 5.169 -0.365 1
1 300 . 16 1 1 A 25 25 SER C C 25 175.005 174.350 0.655 1
1 301 . 16 1 1 A 25 25 SER CA C 25 57.752 57.268 0.484 1
1 302 . 16 1 1 A 25 25 SER CB C 25 64.687 66.013 -1.326 1
1 303 . 16 1 1 A 25 25 SER N N 25 119.720 113.804 5.916 1
1 304 . 16 1 1 A 26 26 GLN H H 26 8.662 8.586 0.076 1
1 305 . 16 1 1 A 26 26 GLN HA H 26 3.162 4.104 -0.942 1
1 312 . 16 1 1 A 26 26 GLN C C 26 177.736 177.517 0.219 1
1 313 . 16 1 1 A 26 26 GLN CA C 26 58.643 58.003 0.640 1
1 314 . 16 1 1 A 26 26 GLN CB C 26 27.352 28.194 -0.842 1
1 316 . 16 1 1 A 26 26 GLN N N 26 120.247 123.350 -3.103 1
1 318 . 16 1 1 A 27 27 GLU H H 27 8.244 8.033 0.211 1
1 319 . 16 1 1 A 27 27 GLU HA H 27 3.886 3.982 -0.096 1
1 324 . 16 1 1 A 27 27 GLU C C 27 176.177 177.730 -1.553 1
1 325 . 16 1 1 A 27 27 GLU CA C 27 57.807 58.570 -0.763 1
1 326 . 16 1 1 A 27 27 GLU CB C 27 28.583 29.454 -0.871 1
1 328 . 16 1 1 A 27 27 GLU N N 27 117.869 119.821 -1.952 1
1 329 . 16 1 1 A 28 28 ALA H H 28 7.451 7.603 -0.152 1
1 330 . 16 1 1 A 28 28 ALA HA H 28 4.070 4.317 -0.247 1
1 334 . 16 1 1 A 28 28 ALA C C 28 176.063 176.307 -0.244 1
1 335 . 16 1 1 A 28 28 ALA CA C 28 51.945 52.117 -0.172 1
1 336 . 16 1 1 A 28 28 ALA CB C 28 18.113 18.755 -0.642 1
1 337 . 16 1 1 A 28 28 ALA N N 28 120.356 119.250 1.106 1
1 338 . 16 1 1 A 29 29 CYS H H 29 6.591 6.774 -0.183 1
1 339 . 16 1 1 A 29 29 CYS HA H 29 1.828 3.695 -1.867 1
1 342 . 16 1 1 A 29 29 CYS CA C 29 56.231 55.041 1.190 1
1 343 . 16 1 1 A 29 29 CYS CB C 29 27.778 27.139 0.639 1
1 344 . 16 1 1 A 29 29 CYS N N 29 121.588 118.808 2.780 1
1 345 . 16 1 1 A 30 30 PRO HA H 30 4.323 4.365 -0.042 1
1 352 . 16 1 1 A 30 30 PRO C C 30 175.515 175.341 0.174 1
1 353 . 16 1 1 A 30 30 PRO CA C 30 63.382 63.547 -0.165 1
1 354 . 16 1 1 A 30 30 PRO CB C 30 31.551 32.315 -0.764 1
1 357 . 16 1 1 A 31 31 TYR H H 31 6.804 7.938 -1.134 1
1 358 . 16 1 1 A 31 31 TYR HA H 31 4.582 4.626 -0.044 1
1 365 . 16 1 1 A 31 31 TYR C C 31 174.785 175.704 -0.919 1
1 366 . 16 1 1 A 31 31 TYR CA C 31 58.348 58.855 -0.507 1
1 367 . 16 1 1 A 31 31 TYR CB C 31 41.030 40.731 0.299 1
1 372 . 16 1 1 A 31 31 TYR N N 31 118.903 121.239 -2.336 1
1 373 . 16 1 1 A 32 32 GLN H H 32 8.763 7.450 1.313 1
1 374 . 16 1 1 A 32 32 GLN HA H 32 4.344 4.646 -0.302 1
1 381 . 16 1 1 A 32 32 GLN C C 32 176.528 174.368 2.160 1
1 382 . 16 1 1 A 32 32 GLN CA C 32 55.996 55.331 0.665 1
1 383 . 16 1 1 A 32 32 GLN CB C 32 30.182 32.015 -1.833 1
1 385 . 16 1 1 A 32 32 GLN N N 32 120.327 115.698 4.629 1
1 387 . 16 1 1 A 33 33 GLN H H 33 8.230 8.821 -0.591 1
1 388 . 16 1 1 A 33 33 GLN HA H 33 4.262 4.396 -0.134 1
1 395 . 16 1 1 A 33 33 GLN C C 33 177.216 177.591 -0.375 1
1 396 . 16 1 1 A 33 33 GLN CA C 33 56.931 57.595 -0.664 1
1 397 . 16 1 1 A 33 33 GLN CB C 33 28.699 29.402 -0.703 1
1 399 . 16 1 1 A 33 33 GLN N N 33 121.712 120.966 0.746 1
1 401 . 16 1 1 A 34 34 VAL H H 34 8.484 8.117 0.367 1
1 402 . 16 1 1 A 34 34 VAL HA H 34 3.551 3.567 -0.016 1
1 410 . 16 1 1 A 34 34 VAL C C 34 177.685 177.382 0.303 1
1 411 . 16 1 1 A 34 34 VAL CA C 34 66.570 66.581 -0.011 1
1 412 . 16 1 1 A 34 34 VAL CB C 34 31.946 31.664 0.282 1
1 415 . 16 1 1 A 34 34 VAL N N 34 122.145 120.231 1.914 1
1 416 . 16 1 1 A 35 35 ASP H H 35 8.324 8.236 0.088 1
1 417 . 16 1 1 A 35 35 ASP HA H 35 4.434 4.475 -0.041 1
1 420 . 16 1 1 A 35 35 ASP C C 35 177.892 178.720 -0.828 1
1 421 . 16 1 1 A 35 35 ASP CA C 35 56.826 57.258 -0.432 1
1 422 . 16 1 1 A 35 35 ASP CB C 35 38.807 40.014 -1.207 1
1 423 . 16 1 1 A 35 35 ASP N N 35 120.937 119.182 1.755 1
1 424 . 16 1 1 A 36 36 ALA H H 36 8.431 8.295 0.136 1
1 425 . 16 1 1 A 36 36 ALA HA H 36 3.598 4.162 -0.564 1
1 429 . 16 1 1 A 36 36 ALA C C 36 178.949 179.215 -0.266 1
1 430 . 16 1 1 A 36 36 ALA CA C 36 55.327 55.521 -0.194 1
1 431 . 16 1 1 A 36 36 ALA CB C 36 17.371 18.374 -1.003 1
1 432 . 16 1 1 A 36 36 ALA N N 36 126.210 122.861 3.349 1
1 433 . 16 1 1 A 37 37 ARG H H 37 8.458 8.091 0.367 1
1 434 . 16 1 1 A 37 37 ARG HA H 37 3.857 4.177 -0.320 1
1 442 . 16 1 1 A 37 37 ARG C C 37 177.746 178.506 -0.760 1
1 443 . 16 1 1 A 37 37 ARG CA C 37 60.636 59.576 1.060 1
1 444 . 16 1 1 A 37 37 ARG CB C 37 29.931 29.913 0.018 1
1 447 . 16 1 1 A 37 37 ARG N N 37 116.717 119.361 -2.644 1
1 449 . 16 1 1 A 38 38 SER H H 38 8.173 8.059 0.114 1
1 450 . 16 1 1 A 38 38 SER HA H 38 4.130 4.300 -0.170 1
1 451 . 16 1 1 A 38 38 SER C C 38 178.293 175.880 2.413 1
1 452 . 16 1 1 A 38 38 SER CA C 38 62.627 61.120 1.507 1
1 453 . 16 1 1 A 38 38 SER N N 38 114.110 115.148 -1.038 1
1 454 . 16 1 1 A 39 39 TYR H H 39 8.343 7.487 0.856 1
1 455 . 16 1 1 A 39 39 TYR HA H 39 4.213 4.552 -0.339 1
1 462 . 16 1 1 A 39 39 TYR C C 39 178.701 178.598 0.103 1
1 463 . 16 1 1 A 39 39 TYR CA C 39 62.466 60.427 2.039 1
1 464 . 16 1 1 A 39 39 TYR CB C 39 38.687 39.566 -0.879 1
1 469 . 16 1 1 A 39 39 TYR N N 39 123.318 119.454 3.864 1
1 470 . 16 1 1 A 40 40 TRP H H 40 8.818 8.978 -0.160 1
1 471 . 16 1 1 A 40 40 TRP HA H 40 4.586 4.958 -0.372 1
1 480 . 16 1 1 A 40 40 TRP C C 40 179.359 178.393 0.966 1
1 481 . 16 1 1 A 40 40 TRP CA C 40 61.953 60.739 1.214 1
1 482 . 16 1 1 A 40 40 TRP CB C 40 31.349 30.024 1.325 1
1 488 . 16 1 1 A 40 40 TRP N N 40 123.286 122.216 1.070 1
1 490 . 16 1 1 A 41 41 LEU H H 41 9.368 8.289 1.079 1
1 491 . 16 1 1 A 41 41 LEU HA H 41 4.405 4.296 0.109 1
1 501 . 16 1 1 A 41 41 LEU C C 41 179.498 178.718 0.780 1
1 502 . 16 1 1 A 41 41 LEU CA C 41 58.206 57.324 0.882 1
1 503 . 16 1 1 A 41 41 LEU CB C 41 41.754 41.692 0.062 1
1 507 . 16 1 1 A 41 41 LEU N N 41 119.265 121.214 -1.949 1
1 508 . 16 1 1 A 42 42 GLY H H 42 8.283 8.327 -0.044 1
1 509 . 16 1 1 A 42 42 GLY HA2 H 42 3.857 3.719 0.138 1
1 510 . 16 1 1 A 42 42 GLY HA3 H 42 3.929 3.753 0.176 1
1 511 . 16 1 1 A 42 42 GLY C C 42 176.508 176.640 -0.132 1
1 512 . 16 1 1 A 42 42 GLY CA C 42 47.412 47.522 -0.110 1
1 513 . 16 1 1 A 42 42 GLY N N 42 108.413 107.318 1.095 1
1 514 . 16 1 1 A 43 43 GLY H H 43 8.181 8.016 0.165 1
1 515 . 16 1 1 A 43 43 GLY HA2 H 43 4.124 3.843 0.281 1
1 516 . 16 1 1 A 43 43 GLY HA3 H 43 4.258 3.866 0.392 1
1 517 . 16 1 1 A 43 43 GLY C C 43 174.891 175.676 -0.785 1
1 518 . 16 1 1 A 43 43 GLY CA C 43 47.341 47.009 0.332 1
1 519 . 16 1 1 A 43 43 GLY N N 43 109.904 108.820 1.084 1
1 520 . 16 1 1 A 44 44 TRP H H 44 8.460 7.827 0.633 1
1 521 . 16 1 1 A 44 44 TRP HA H 44 3.578 4.233 -0.655 1
1 530 . 16 1 1 A 44 44 TRP C C 44 178.547 178.411 0.136 1
1 531 . 16 1 1 A 44 44 TRP CA C 44 62.646 60.104 2.542 1
1 532 . 16 1 1 A 44 44 TRP CB C 44 29.467 29.366 0.101 1
1 538 . 16 1 1 A 44 44 TRP N N 44 124.152 124.197 -0.045 1
1 540 . 16 1 1 A 45 45 ARG H H 45 8.759 8.648 0.111 1
1 541 . 16 1 1 A 45 45 ARG HA H 45 3.669 3.848 -0.179 1
1 549 . 16 1 1 A 45 45 ARG C C 45 178.784 178.100 0.684 1
1 550 . 16 1 1 A 45 45 ARG CA C 45 59.785 59.679 0.106 1
1 551 . 16 1 1 A 45 45 ARG CB C 45 30.295 30.076 0.219 1
1 554 . 16 1 1 A 45 45 ARG N N 45 118.655 118.344 0.311 1
1 556 . 16 1 1 A 46 46 ASP H H 46 8.084 8.240 -0.156 1
1 557 . 16 1 1 A 46 46 ASP HA H 46 4.362 4.290 0.072 1
1 560 . 16 1 1 A 46 46 ASP C C 46 178.818 177.906 0.912 1
1 561 . 16 1 1 A 46 46 ASP CA C 46 57.518 58.036 -0.518 1
1 562 . 16 1 1 A 46 46 ASP CB C 46 39.752 42.086 -2.334 1
1 563 . 16 1 1 A 46 46 ASP N N 46 120.646 119.299 1.347 1
1 564 . 16 1 1 A 47 47 ALA H H 47 7.873 8.103 -0.230 1
1 565 . 16 1 1 A 47 47 ALA HA H 47 3.627 3.948 -0.321 1
1 569 . 16 1 1 A 47 47 ALA C C 47 179.397 179.835 -0.438 1
1 570 . 16 1 1 A 47 47 ALA CA C 47 54.962 55.282 -0.320 1
1 571 . 16 1 1 A 47 47 ALA CB C 47 18.940 17.579 1.361 1
1 572 . 16 1 1 A 47 47 ALA N N 47 122.126 121.397 0.729 1
1 573 . 16 1 1 A 48 48 ARG H H 48 7.587 7.670 -0.083 1
1 574 . 16 1 1 A 48 48 ARG HA H 48 3.538 3.796 -0.258 1
1 582 . 16 1 1 A 48 48 ARG C C 48 178.647 178.984 -0.337 1
1 583 . 16 1 1 A 48 48 ARG CA C 48 57.880 59.660 -1.780 1
1 584 . 16 1 1 A 48 48 ARG CB C 48 28.753 29.841 -1.088 1
1 587 . 16 1 1 A 48 48 ARG N N 48 117.721 117.880 -0.159 1
1 589 . 16 1 1 A 49 49 ASP H H 49 8.249 8.945 -0.696 1
1 590 . 16 1 1 A 49 49 ASP HA H 49 4.383 4.429 -0.046 1
1 593 . 16 1 1 A 49 49 ASP C C 49 178.360 178.358 0.002 1
1 594 . 16 1 1 A 49 49 ASP CA C 49 56.330 56.459 -0.129 1
1 595 . 16 1 1 A 49 49 ASP CB C 49 40.401 40.571 -0.170 1
1 596 . 16 1 1 A 49 49 ASP N N 49 119.997 119.410 0.587 1
1 597 . 16 1 1 A 50 50 GLU H H 50 8.060 7.651 0.409 1
1 598 . 16 1 1 A 50 50 GLU HA H 50 4.007 4.094 -0.087 1
1 603 . 16 1 1 A 50 50 GLU C C 50 178.675 178.203 0.472 1
1 604 . 16 1 1 A 50 50 GLU CA C 50 58.740 58.724 0.016 1
1 605 . 16 1 1 A 50 50 GLU CB C 50 29.585 29.825 -0.240 1
1 607 . 16 1 1 A 50 50 GLU N N 50 121.823 119.706 2.117 1
1 608 . 16 1 1 A 51 51 LYS H H 51 8.089 7.713 0.376 1
1 609 . 16 1 1 A 51 51 LYS HA H 51 4.057 4.199 -0.142 1
1 618 . 16 1 1 A 51 51 LYS C C 51 178.241 178.079 0.162 1
1 619 . 16 1 1 A 51 51 LYS CA C 51 57.727 56.891 0.836 1
1 620 . 16 1 1 A 51 51 LYS CB C 51 32.090 32.606 -0.516 1
1 624 . 16 1 1 A 51 51 LYS N N 51 119.415 118.721 0.694 1
1 625 . 16 1 1 A 52 52 GLN H H 52 8.043 8.143 -0.100 1
1 626 . 16 1 1 A 52 52 GLN HA H 52 4.189 4.144 0.045 1
1 633 . 16 1 1 A 52 52 GLN C C 52 176.965 177.954 -0.989 1
1 634 . 16 1 1 A 52 52 GLN CA C 52 56.977 58.458 -1.481 1
1 635 . 16 1 1 A 52 52 GLN CB C 52 28.858 29.090 -0.232 1
1 637 . 16 1 1 A 52 52 GLN N N 52 118.262 119.033 -0.771 1
1 639 . 16 1 1 A 53 53 SER H H 53 8.088 8.247 -0.159 1
1 640 . 16 1 1 A 53 53 SER HA H 53 4.339 4.328 0.011 1
1 643 . 16 1 1 A 53 53 SER C C 53 175.679 177.462 -1.783 1
1 644 . 16 1 1 A 53 53 SER CA C 53 59.492 62.069 -2.577 1
1 645 . 16 1 1 A 53 53 SER CB C 53 63.849 62.889 0.960 1
1 646 . 16 1 1 A 53 53 SER N N 53 114.966 117.698 -2.732 1
1 647 . 16 1 1 A 54 54 GLY H H 54 8.228 8.406 -0.178 1
1 648 . 16 1 1 A 54 54 GLY HA2 H 54 3.939 3.965 -0.026 1
1 649 . 16 1 1 A 54 54 GLY HA3 H 54 3.867 4.078 -0.211 1
1 650 . 16 1 1 A 54 54 GLY C C 54 174.591 174.830 -0.239 1
1 651 . 16 1 1 A 54 54 GLY CA C 54 45.776 46.458 -0.682 1
1 652 . 16 1 1 A 54 54 GLY N N 54 110.315 109.146 1.169 1
1 653 . 16 1 1 A 55 55 LEU H H 55 7.846 7.632 0.214 1
1 654 . 16 1 1 A 55 55 LEU HA H 55 4.174 4.449 -0.275 1
1 664 . 16 1 1 A 55 55 LEU C C 55 177.315 177.028 0.287 1
1 665 . 16 1 1 A 55 55 LEU CA C 55 55.716 53.694 2.022 1
1 666 . 16 1 1 A 55 55 LEU CB C 55 42.103 40.050 2.053 1
1 670 . 16 1 1 A 55 55 LEU N N 55 121.456 120.531 0.925 1
1 671 . 16 1 1 A 56 56 TYR H H 56 7.960 7.744 0.216 1
1 672 . 16 1 1 A 56 56 TYR HA H 56 4.450 4.498 -0.048 1
1 679 . 16 1 1 A 56 56 TYR C C 56 176.206 177.466 -1.260 1
1 680 . 16 1 1 A 56 56 TYR CA C 56 58.242 59.490 -1.248 1
1 681 . 16 1 1 A 56 56 TYR CB C 56 38.478 37.361 1.117 1
1 686 . 16 1 1 A 56 56 TYR N N 56 119.665 120.368 -0.703 1
1 687 . 16 1 1 A 57 57 LYS H H 57 8.015 7.816 0.199 1
1 688 . 16 1 1 A 57 57 LYS HA H 57 4.154 4.091 0.063 1
1 697 . 16 1 1 A 57 57 LYS C C 57 176.553 178.398 -1.845 1
1 698 . 16 1 1 A 57 57 LYS CA C 57 56.656 58.659 -2.003 1
1 699 . 16 1 1 A 57 57 LYS CB C 57 32.870 32.706 0.164 1
1 703 . 16 1 1 A 57 57 LYS N N 57 122.012 120.948 1.064 1
1 704 . 16 1 1 A 58 58 LEU H H 58 8.035 8.019 0.016 1
1 705 . 16 1 1 A 58 58 LEU HA H 58 4.185 3.953 0.232 1
1 715 . 16 1 1 A 58 58 LEU C C 58 177.527 177.355 0.172 1
1 716 . 16 1 1 A 58 58 LEU CA C 58 55.574 58.347 -2.773 1
1 717 . 16 1 1 A 58 58 LEU CB C 58 42.175 41.996 0.179 1
1 721 . 16 1 1 A 58 58 LEU N N 58 122.265 120.841 1.424 1
1 722 . 16 1 1 A 59 59 GLU H H 59 8.253 7.400 0.853 1
1 723 . 16 1 1 A 59 59 GLU HA H 59 4.123 4.580 -0.457 1
1 728 . 16 1 1 A 59 59 GLU C C 59 176.231 175.765 0.466 1
1 729 . 16 1 1 A 59 59 GLU CA C 59 56.658 55.652 1.006 1
1 730 . 16 1 1 A 59 59 GLU CB C 59 30.246 29.962 0.284 1
1 732 . 16 1 1 A 59 59 GLU N N 59 120.313 119.538 0.775 1
1 7 . 17 1 1 A 2 2 LYS H H 2 8.138 8.100 0.038 1
1 8 . 17 1 1 A 2 2 LYS HA H 2 4.325 4.351 -0.026 1
1 17 . 17 1 1 A 2 2 LYS C C 2 176.460 175.431 1.029 1
1 18 . 17 1 1 A 2 2 LYS CA C 2 56.632 58.334 -1.702 1
1 19 . 17 1 1 A 2 2 LYS CB C 2 33.087 32.312 0.775 1
1 23 . 17 1 1 A 2 2 LYS N N 2 125.275 119.722 5.553 1
1 24 . 17 1 1 A 3 3 ARG H H 3 8.624 8.293 0.331 1
1 25 . 17 1 1 A 3 3 ARG HA H 3 4.220 4.437 -0.217 1
1 32 . 17 1 1 A 3 3 ARG C C 3 176.426 174.462 1.964 1
1 33 . 17 1 1 A 3 3 ARG CA C 3 56.705 55.125 1.580 1
1 34 . 17 1 1 A 3 3 ARG CB C 3 30.577 28.825 1.752 1
1 37 . 17 1 1 A 3 3 ARG N N 3 123.963 120.042 3.921 1
1 38 . 17 1 1 A 4 4 GLN H H 4 8.613 7.636 0.977 1
1 39 . 17 1 1 A 4 4 GLN HA H 4 4.221 4.772 -0.551 1
1 46 . 17 1 1 A 4 4 GLN C C 4 176.604 175.792 0.812 1
1 47 . 17 1 1 A 4 4 GLN CA C 4 56.626 54.314 2.312 1
1 48 . 17 1 1 A 4 4 GLN CB C 4 29.536 32.809 -3.273 1
1 50 . 17 1 1 A 4 4 GLN N N 4 121.223 123.492 -2.269 1
1 52 . 17 1 1 A 5 5 LYS H H 5 8.180 8.989 -0.809 1
1 53 . 17 1 1 A 5 5 LYS HA H 5 4.161 3.899 0.262 1
1 62 . 17 1 1 A 5 5 LYS C C 5 176.971 178.851 -1.880 1
1 63 . 17 1 1 A 5 5 LYS CA C 5 57.367 59.828 -2.461 1
1 64 . 17 1 1 A 5 5 LYS CB C 5 32.873 32.447 0.426 1
1 68 . 17 1 1 A 5 5 LYS N N 5 122.464 123.872 -1.408 1
1 69 . 17 1 1 A 6 6 ARG H H 6 8.345 7.826 0.519 1
1 70 . 17 1 1 A 6 6 ARG HA H 6 4.119 3.980 0.139 1
1 77 . 17 1 1 A 6 6 ARG C C 6 176.908 177.702 -0.794 1
1 78 . 17 1 1 A 6 6 ARG CA C 6 57.246 58.519 -1.273 1
1 79 . 17 1 1 A 6 6 ARG CB C 6 30.166 29.833 0.333 1
1 82 . 17 1 1 A 6 6 ARG N N 6 121.458 120.688 0.770 1
1 83 . 17 1 1 A 7 7 ASP H H 7 8.422 8.236 0.186 1
1 84 . 17 1 1 A 7 7 ASP HA H 7 4.414 4.275 0.139 1
1 87 . 17 1 1 A 7 7 ASP C C 7 177.562 178.103 -0.541 1
1 88 . 17 1 1 A 7 7 ASP CA C 7 55.809 57.311 -1.502 1
1 89 . 17 1 1 A 7 7 ASP CB C 7 41.064 41.597 -0.533 1
1 90 . 17 1 1 A 7 7 ASP N N 7 120.954 119.566 1.388 1
1 91 . 17 1 1 A 8 8 ARG H H 8 8.061 7.844 0.217 1
1 92 . 17 1 1 A 8 8 ARG HA H 8 3.971 3.942 0.029 1
1 99 . 17 1 1 A 8 8 ARG C C 8 178.412 177.729 0.683 1
1 100 . 17 1 1 A 8 8 ARG CA C 8 59.160 58.680 0.480 1
1 101 . 17 1 1 A 8 8 ARG CB C 8 30.192 29.849 0.343 1
1 104 . 17 1 1 A 8 8 ARG N N 8 119.853 118.074 1.779 1
1 105 . 17 1 1 A 9 9 LEU H H 9 7.801 7.461 0.340 1
1 106 . 17 1 1 A 9 9 LEU HA H 9 3.727 3.968 -0.241 1
1 116 . 17 1 1 A 9 9 LEU C C 9 178.182 178.780 -0.598 1
1 117 . 17 1 1 A 9 9 LEU CA C 9 57.192 56.295 0.897 1
1 118 . 17 1 1 A 9 9 LEU CB C 9 38.370 41.117 -2.747 1
1 122 . 17 1 1 A 9 9 LEU N N 9 121.052 120.426 0.626 1
1 123 . 17 1 1 A 10 10 GLU H H 10 8.172 8.929 -0.757 1
1 124 . 17 1 1 A 10 10 GLU HA H 10 4.014 4.024 -0.010 1
1 129 . 17 1 1 A 10 10 GLU C C 10 180.022 178.605 1.417 1
1 130 . 17 1 1 A 10 10 GLU CA C 10 59.504 59.359 0.145 1
1 131 . 17 1 1 A 10 10 GLU CB C 10 29.451 29.443 0.008 1
1 133 . 17 1 1 A 10 10 GLU N N 10 120.463 120.511 -0.048 1
1 134 . 17 1 1 A 11 11 ARG H H 11 8.202 7.634 0.568 1
1 135 . 17 1 1 A 11 11 ARG HA H 11 4.117 4.041 0.076 1
1 142 . 17 1 1 A 11 11 ARG C C 11 178.321 178.933 -0.612 1
1 143 . 17 1 1 A 11 11 ARG CA C 11 59.328 58.905 0.423 1
1 144 . 17 1 1 A 11 11 ARG CB C 11 29.798 30.398 -0.600 1
1 147 . 17 1 1 A 11 11 ARG N N 11 119.987 119.931 0.056 1
1 148 . 17 1 1 A 12 12 ALA H H 12 7.661 8.297 -0.636 1
1 149 . 17 1 1 A 12 12 ALA HA H 12 4.603 3.972 0.631 1
1 153 . 17 1 1 A 12 12 ALA C C 12 179.757 179.972 -0.215 1
1 154 . 17 1 1 A 12 12 ALA CA C 12 55.536 54.884 0.652 1
1 155 . 17 1 1 A 12 12 ALA CB C 12 18.423 18.259 0.164 1
1 156 . 17 1 1 A 12 12 ALA N N 12 122.208 122.186 0.022 1
1 157 . 17 1 1 A 13 13 GLN H H 13 8.205 8.452 -0.247 1
1 158 . 17 1 1 A 13 13 GLN HA H 13 4.332 4.171 0.161 1
1 165 . 17 1 1 A 13 13 GLN C C 13 178.128 178.319 -0.191 1
1 166 . 17 1 1 A 13 13 GLN CA C 13 59.565 58.983 0.582 1
1 167 . 17 1 1 A 13 13 GLN CB C 13 29.572 28.632 0.940 1
1 169 . 17 1 1 A 13 13 GLN N N 13 118.449 118.875 -0.426 1
1 171 . 17 1 1 A 14 14 SER H H 14 8.245 7.839 0.406 1
1 172 . 17 1 1 A 14 14 SER HA H 14 4.281 4.220 0.061 1
1 175 . 17 1 1 A 14 14 SER C C 14 177.751 176.192 1.559 1
1 176 . 17 1 1 A 14 14 SER CA C 14 61.583 61.415 0.168 1
1 177 . 17 1 1 A 14 14 SER CB C 14 62.897 63.170 -0.273 1
1 178 . 17 1 1 A 14 14 SER N N 14 115.275 117.513 -2.238 1
1 179 . 17 1 1 A 15 15 GLN H H 15 8.686 8.700 -0.014 1
1 180 . 17 1 1 A 15 15 GLN HA H 15 4.124 4.092 0.032 1
1 187 . 17 1 1 A 15 15 GLN C C 15 179.621 178.505 1.116 1
1 188 . 17 1 1 A 15 15 GLN CA C 15 58.803 59.297 -0.494 1
1 189 . 17 1 1 A 15 15 GLN CB C 15 28.201 28.355 -0.154 1
1 191 . 17 1 1 A 15 15 GLN N N 15 121.722 121.014 0.708 1
1 193 . 17 1 1 A 16 16 GLY H H 16 8.439 8.662 -0.223 1
1 194 . 17 1 1 A 16 16 GLY HA2 H 16 1.849 2.505 -0.656 1
1 195 . 17 1 1 A 16 16 GLY HA3 H 16 3.742 2.827 0.915 1
1 196 . 17 1 1 A 16 16 GLY C C 16 175.080 175.149 -0.069 1
1 197 . 17 1 1 A 16 16 GLY CA C 16 45.784 46.569 -0.785 1
1 198 . 17 1 1 A 16 16 GLY N N 16 113.363 107.053 6.310 1
1 199 . 17 1 1 A 17 17 TYR H H 17 8.167 7.955 0.212 1
1 200 . 17 1 1 A 17 17 TYR HA H 17 4.014 4.135 -0.121 1
1 207 . 17 1 1 A 17 17 TYR C C 17 177.200 177.554 -0.354 1
1 208 . 17 1 1 A 17 17 TYR CA C 17 60.567 60.707 -0.140 1
1 209 . 17 1 1 A 17 17 TYR CB C 17 38.755 38.658 0.097 1
1 214 . 17 1 1 A 17 17 TYR N N 17 123.123 123.612 -0.489 1
1 215 . 17 1 1 A 18 18 LYS H H 18 8.003 7.751 0.252 1
1 216 . 17 1 1 A 18 18 LYS HA H 18 3.681 3.928 -0.247 1
1 225 . 17 1 1 A 18 18 LYS C C 18 178.838 178.838 0.000 1
1 226 . 17 1 1 A 18 18 LYS CA C 18 59.677 58.771 0.906 1
1 227 . 17 1 1 A 18 18 LYS CB C 18 32.393 32.143 0.250 1
1 231 . 17 1 1 A 18 18 LYS N N 18 117.920 119.628 -1.708 1
1 232 . 17 1 1 A 19 19 ALA H H 19 8.067 8.790 -0.723 1
1 233 . 17 1 1 A 19 19 ALA HA H 19 4.194 4.213 -0.019 1
1 237 . 17 1 1 A 19 19 ALA C C 19 180.263 180.038 0.225 1
1 238 . 17 1 1 A 19 19 ALA CA C 19 55.349 54.720 0.629 1
1 239 . 17 1 1 A 19 19 ALA CB C 19 19.039 18.718 0.321 1
1 240 . 17 1 1 A 19 19 ALA N N 19 120.778 121.538 -0.760 1
1 241 . 17 1 1 A 20 20 GLY H H 20 8.527 8.153 0.374 1
1 242 . 17 1 1 A 20 20 GLY HA2 H 20 3.101 3.070 0.031 1
1 243 . 17 1 1 A 20 20 GLY HA3 H 20 3.303 3.194 0.109 1
1 244 . 17 1 1 A 20 20 GLY C C 20 177.818 175.467 2.351 1
1 245 . 17 1 1 A 20 20 GLY CA C 20 47.102 47.112 -0.010 1
1 246 . 17 1 1 A 20 20 GLY N N 20 107.003 106.500 0.503 1
1 247 . 17 1 1 A 21 21 LEU H H 21 8.310 7.349 0.961 1
1 248 . 17 1 1 A 21 21 LEU HA H 21 3.696 3.969 -0.273 1
1 258 . 17 1 1 A 21 21 LEU C C 21 178.603 177.957 0.646 1
1 259 . 17 1 1 A 21 21 LEU CA C 21 57.417 57.360 0.057 1
1 260 . 17 1 1 A 21 21 LEU CB C 21 41.798 42.568 -0.770 1
1 264 . 17 1 1 A 21 21 LEU N N 21 124.762 122.237 2.525 1
1 265 . 17 1 1 A 22 22 ASN H H 22 7.628 8.694 -1.066 1
1 266 . 17 1 1 A 22 22 ASN HA H 22 4.701 4.714 -0.013 1
1 271 . 17 1 1 A 22 22 ASN C C 22 175.456 178.359 -2.903 1
1 272 . 17 1 1 A 22 22 ASN CA C 22 53.292 55.340 -2.048 1
1 273 . 17 1 1 A 22 22 ASN CB C 22 39.188 38.636 0.552 1
1 274 . 17 1 1 A 22 22 ASN N N 22 114.867 114.960 -0.093 1
1 276 . 17 1 1 A 23 23 GLY H H 23 7.586 8.286 -0.700 1
1 277 . 17 1 1 A 23 23 GLY HA2 H 23 3.810 3.887 -0.077 1
1 278 . 17 1 1 A 23 23 GLY HA3 H 23 4.102 3.957 0.145 1
1 279 . 17 1 1 A 23 23 GLY C C 23 175.226 174.932 0.294 1
1 280 . 17 1 1 A 23 23 GLY CA C 23 46.302 46.684 -0.382 1
1 281 . 17 1 1 A 23 23 GLY N N 23 106.650 109.135 -2.485 1
1 282 . 17 1 1 A 24 24 ARG H H 24 8.156 8.067 0.089 1
1 283 . 17 1 1 A 24 24 ARG HA H 24 4.508 4.242 0.266 1
1 290 . 17 1 1 A 24 24 ARG C C 24 177.405 175.615 1.790 1
1 291 . 17 1 1 A 24 24 ARG CA C 24 55.103 58.319 -3.216 1
1 292 . 17 1 1 A 24 24 ARG CB C 24 30.537 30.122 0.415 1
1 295 . 17 1 1 A 24 24 ARG N N 24 118.161 119.937 -1.776 1
1 296 . 17 1 1 A 25 25 SER H H 25 9.015 8.661 0.354 1
1 297 . 17 1 1 A 25 25 SER HA H 25 4.804 5.174 -0.370 1
1 300 . 17 1 1 A 25 25 SER C C 25 175.005 174.225 0.780 1
1 301 . 17 1 1 A 25 25 SER CA C 25 57.752 57.260 0.492 1
1 302 . 17 1 1 A 25 25 SER CB C 25 64.687 65.659 -0.972 1
1 303 . 17 1 1 A 25 25 SER N N 25 119.720 113.696 6.024 1
1 304 . 17 1 1 A 26 26 GLN H H 26 8.662 8.587 0.075 1
1 305 . 17 1 1 A 26 26 GLN HA H 26 3.162 4.181 -1.019 1
1 312 . 17 1 1 A 26 26 GLN C C 26 177.736 177.724 0.012 1
1 313 . 17 1 1 A 26 26 GLN CA C 26 58.643 57.717 0.926 1
1 314 . 17 1 1 A 26 26 GLN CB C 26 27.352 28.094 -0.742 1
1 316 . 17 1 1 A 26 26 GLN N N 26 120.247 123.961 -3.714 1
1 318 . 17 1 1 A 27 27 GLU H H 27 8.244 7.944 0.300 1
1 319 . 17 1 1 A 27 27 GLU HA H 27 3.886 4.006 -0.120 1
1 324 . 17 1 1 A 27 27 GLU C C 27 176.177 177.624 -1.447 1
1 325 . 17 1 1 A 27 27 GLU CA C 27 57.807 58.468 -0.661 1
1 326 . 17 1 1 A 27 27 GLU CB C 27 28.583 29.715 -1.132 1
1 328 . 17 1 1 A 27 27 GLU N N 27 117.869 120.577 -2.708 1
1 329 . 17 1 1 A 28 28 ALA H H 28 7.451 7.528 -0.077 1
1 330 . 17 1 1 A 28 28 ALA HA H 28 4.070 4.372 -0.302 1
1 334 . 17 1 1 A 28 28 ALA C C 28 176.063 176.801 -0.738 1
1 335 . 17 1 1 A 28 28 ALA CA C 28 51.945 52.126 -0.181 1
1 336 . 17 1 1 A 28 28 ALA CB C 28 18.113 18.925 -0.812 1
1 337 . 17 1 1 A 28 28 ALA N N 28 120.356 119.952 0.404 1
1 338 . 17 1 1 A 29 29 CYS H H 29 6.591 6.842 -0.251 1
1 339 . 17 1 1 A 29 29 CYS HA H 29 1.828 3.967 -2.139 1
1 342 . 17 1 1 A 29 29 CYS CA C 29 56.231 55.089 1.142 1
1 343 . 17 1 1 A 29 29 CYS CB C 29 27.778 27.471 0.307 1
1 344 . 17 1 1 A 29 29 CYS N N 29 121.588 119.138 2.450 1
1 345 . 17 1 1 A 30 30 PRO HA H 30 4.323 4.369 -0.046 1
1 352 . 17 1 1 A 30 30 PRO C C 30 175.515 176.225 -0.710 1
1 353 . 17 1 1 A 30 30 PRO CA C 30 63.382 63.664 -0.282 1
1 354 . 17 1 1 A 30 30 PRO CB C 30 31.551 32.910 -1.359 1
1 357 . 17 1 1 A 31 31 TYR H H 31 6.804 7.907 -1.103 1
1 358 . 17 1 1 A 31 31 TYR HA H 31 4.582 4.409 0.173 1
1 365 . 17 1 1 A 31 31 TYR C C 31 174.785 175.508 -0.723 1
1 366 . 17 1 1 A 31 31 TYR CA C 31 58.348 60.292 -1.944 1
1 367 . 17 1 1 A 31 31 TYR CB C 31 41.030 38.931 2.099 1
1 372 . 17 1 1 A 31 31 TYR N N 31 118.903 120.313 -1.410 1
1 373 . 17 1 1 A 32 32 GLN H H 32 8.763 7.904 0.859 1
1 374 . 17 1 1 A 32 32 GLN HA H 32 4.344 4.727 -0.383 1
1 381 . 17 1 1 A 32 32 GLN C C 32 176.528 175.006 1.522 1
1 382 . 17 1 1 A 32 32 GLN CA C 32 55.996 54.413 1.583 1
1 383 . 17 1 1 A 32 32 GLN CB C 32 30.182 32.289 -2.107 1
1 385 . 17 1 1 A 32 32 GLN N N 32 120.327 115.752 4.575 1
1 387 . 17 1 1 A 33 33 GLN H H 33 8.230 8.671 -0.441 1
1 388 . 17 1 1 A 33 33 GLN HA H 33 4.262 4.394 -0.132 1
1 395 . 17 1 1 A 33 33 GLN C C 33 177.216 178.127 -0.911 1
1 396 . 17 1 1 A 33 33 GLN CA C 33 56.931 57.326 -0.395 1
1 397 . 17 1 1 A 33 33 GLN CB C 33 28.699 29.934 -1.235 1
1 399 . 17 1 1 A 33 33 GLN N N 33 121.712 123.353 -1.641 1
1 401 . 17 1 1 A 34 34 VAL H H 34 8.484 8.034 0.450 1
1 402 . 17 1 1 A 34 34 VAL HA H 34 3.551 3.556 -0.005 1
1 410 . 17 1 1 A 34 34 VAL C C 34 177.685 177.726 -0.041 1
1 411 . 17 1 1 A 34 34 VAL CA C 34 66.570 65.941 0.629 1
1 412 . 17 1 1 A 34 34 VAL CB C 34 31.946 31.803 0.143 1
1 415 . 17 1 1 A 34 34 VAL N N 34 122.145 119.212 2.933 1
1 416 . 17 1 1 A 35 35 ASP H H 35 8.324 8.328 -0.004 1
1 417 . 17 1 1 A 35 35 ASP HA H 35 4.434 4.476 -0.042 1
1 420 . 17 1 1 A 35 35 ASP C C 35 177.892 178.590 -0.698 1
1 421 . 17 1 1 A 35 35 ASP CA C 35 56.826 57.365 -0.539 1
1 422 . 17 1 1 A 35 35 ASP CB C 35 38.807 40.048 -1.241 1
1 423 . 17 1 1 A 35 35 ASP N N 35 120.937 119.507 1.430 1
1 424 . 17 1 1 A 36 36 ALA H H 36 8.431 8.230 0.201 1
1 425 . 17 1 1 A 36 36 ALA HA H 36 3.598 4.144 -0.546 1
1 429 . 17 1 1 A 36 36 ALA C C 36 178.949 179.583 -0.634 1
1 430 . 17 1 1 A 36 36 ALA CA C 36 55.327 55.168 0.159 1
1 431 . 17 1 1 A 36 36 ALA CB C 36 17.371 18.243 -0.872 1
1 432 . 17 1 1 A 36 36 ALA N N 36 126.210 122.499 3.711 1
1 433 . 17 1 1 A 37 37 ARG H H 37 8.458 7.866 0.592 1
1 434 . 17 1 1 A 37 37 ARG HA H 37 3.857 4.137 -0.280 1
1 442 . 17 1 1 A 37 37 ARG C C 37 177.746 178.876 -1.130 1
1 443 . 17 1 1 A 37 37 ARG CA C 37 60.636 59.651 0.985 1
1 444 . 17 1 1 A 37 37 ARG CB C 37 29.931 29.848 0.083 1
1 447 . 17 1 1 A 37 37 ARG N N 37 116.717 119.994 -3.277 1
1 449 . 17 1 1 A 38 38 SER H H 38 8.173 7.949 0.224 1
1 450 . 17 1 1 A 38 38 SER HA H 38 4.130 4.239 -0.109 1
1 451 . 17 1 1 A 38 38 SER C C 38 178.293 175.478 2.815 1
1 452 . 17 1 1 A 38 38 SER CA C 38 62.627 62.252 0.375 1
1 453 . 17 1 1 A 38 38 SER N N 38 114.110 116.560 -2.450 1
1 454 . 17 1 1 A 39 39 TYR H H 39 8.343 7.532 0.811 1
1 455 . 17 1 1 A 39 39 TYR HA H 39 4.213 4.517 -0.304 1
1 462 . 17 1 1 A 39 39 TYR C C 39 178.701 178.791 -0.090 1
1 463 . 17 1 1 A 39 39 TYR CA C 39 62.466 60.538 1.928 1
1 464 . 17 1 1 A 39 39 TYR CB C 39 38.687 39.287 -0.600 1
1 469 . 17 1 1 A 39 39 TYR N N 39 123.318 119.397 3.921 1
1 470 . 17 1 1 A 40 40 TRP H H 40 8.818 8.775 0.043 1
1 471 . 17 1 1 A 40 40 TRP HA H 40 4.586 4.679 -0.093 1
1 480 . 17 1 1 A 40 40 TRP C C 40 179.359 178.015 1.344 1
1 481 . 17 1 1 A 40 40 TRP CA C 40 61.953 60.486 1.467 1
1 482 . 17 1 1 A 40 40 TRP CB C 40 31.349 29.897 1.452 1
1 488 . 17 1 1 A 40 40 TRP N N 40 123.286 122.415 0.871 1
1 490 . 17 1 1 A 41 41 LEU H H 41 9.368 8.287 1.081 1
1 491 . 17 1 1 A 41 41 LEU HA H 41 4.405 4.376 0.029 1
1 501 . 17 1 1 A 41 41 LEU C C 41 179.498 178.850 0.648 1
1 502 . 17 1 1 A 41 41 LEU CA C 41 58.206 57.680 0.526 1
1 503 . 17 1 1 A 41 41 LEU CB C 41 41.754 42.068 -0.314 1
1 507 . 17 1 1 A 41 41 LEU N N 41 119.265 121.092 -1.827 1
1 508 . 17 1 1 A 42 42 GLY H H 42 8.283 8.377 -0.094 1
1 509 . 17 1 1 A 42 42 GLY HA2 H 42 3.857 3.819 0.038 1
1 510 . 17 1 1 A 42 42 GLY HA3 H 42 3.929 3.858 0.071 1
1 511 . 17 1 1 A 42 42 GLY C C 42 176.508 176.860 -0.352 1
1 512 . 17 1 1 A 42 42 GLY CA C 42 47.412 47.542 -0.130 1
1 513 . 17 1 1 A 42 42 GLY N N 42 108.413 107.161 1.252 1
1 514 . 17 1 1 A 43 43 GLY H H 43 8.181 8.288 -0.107 1
1 515 . 17 1 1 A 43 43 GLY HA2 H 43 4.124 3.815 0.309 1
1 516 . 17 1 1 A 43 43 GLY HA3 H 43 4.258 3.830 0.428 1
1 517 . 17 1 1 A 43 43 GLY C C 43 174.891 175.672 -0.781 1
1 518 . 17 1 1 A 43 43 GLY CA C 43 47.341 46.995 0.346 1
1 519 . 17 1 1 A 43 43 GLY N N 43 109.904 108.856 1.048 1
1 520 . 17 1 1 A 44 44 TRP H H 44 8.460 8.183 0.277 1
1 521 . 17 1 1 A 44 44 TRP HA H 44 3.578 4.190 -0.612 1
1 530 . 17 1 1 A 44 44 TRP C C 44 178.547 178.908 -0.361 1
1 531 . 17 1 1 A 44 44 TRP CA C 44 62.646 59.901 2.745 1
1 532 . 17 1 1 A 44 44 TRP CB C 44 29.467 29.288 0.179 1
1 538 . 17 1 1 A 44 44 TRP N N 44 124.152 124.226 -0.074 1
1 540 . 17 1 1 A 45 45 ARG H H 45 8.759 8.923 -0.164 1
1 541 . 17 1 1 A 45 45 ARG HA H 45 3.669 3.894 -0.225 1
1 549 . 17 1 1 A 45 45 ARG C C 45 178.784 178.091 0.693 1
1 550 . 17 1 1 A 45 45 ARG CA C 45 59.785 59.344 0.441 1
1 551 . 17 1 1 A 45 45 ARG CB C 45 30.295 30.134 0.161 1
1 554 . 17 1 1 A 45 45 ARG N N 45 118.655 118.972 -0.317 1
1 556 . 17 1 1 A 46 46 ASP H H 46 8.084 8.147 -0.063 1
1 557 . 17 1 1 A 46 46 ASP HA H 46 4.362 4.361 0.001 1
1 560 . 17 1 1 A 46 46 ASP C C 46 178.818 178.141 0.677 1
1 561 . 17 1 1 A 46 46 ASP CA C 46 57.518 57.814 -0.296 1
1 562 . 17 1 1 A 46 46 ASP CB C 46 39.752 41.502 -1.750 1
1 563 . 17 1 1 A 46 46 ASP N N 46 120.646 119.157 1.489 1
1 564 . 17 1 1 A 47 47 ALA H H 47 7.873 8.341 -0.468 1
1 565 . 17 1 1 A 47 47 ALA HA H 47 3.627 3.960 -0.333 1
1 569 . 17 1 1 A 47 47 ALA C C 47 179.397 178.877 0.520 1
1 570 . 17 1 1 A 47 47 ALA CA C 47 54.962 54.872 0.090 1
1 571 . 17 1 1 A 47 47 ALA CB C 47 18.940 17.977 0.963 1
1 572 . 17 1 1 A 47 47 ALA N N 47 122.126 121.640 0.486 1
1 573 . 17 1 1 A 48 48 ARG H H 48 7.587 7.843 -0.256 1
1 574 . 17 1 1 A 48 48 ARG HA H 48 3.538 3.772 -0.234 1
1 582 . 17 1 1 A 48 48 ARG C C 48 178.647 177.763 0.884 1
1 583 . 17 1 1 A 48 48 ARG CA C 48 57.880 59.047 -1.167 1
1 584 . 17 1 1 A 48 48 ARG CB C 48 28.753 29.492 -0.739 1
1 587 . 17 1 1 A 48 48 ARG N N 48 117.721 118.350 -0.629 1
1 589 . 17 1 1 A 49 49 ASP H H 49 8.249 8.024 0.225 1
1 590 . 17 1 1 A 49 49 ASP HA H 49 4.383 4.478 -0.095 1
1 593 . 17 1 1 A 49 49 ASP C C 49 178.360 177.657 0.703 1
1 594 . 17 1 1 A 49 49 ASP CA C 49 56.330 55.439 0.891 1
1 595 . 17 1 1 A 49 49 ASP CB C 49 40.401 40.790 -0.389 1
1 596 . 17 1 1 A 49 49 ASP N N 49 119.997 118.964 1.033 1
1 597 . 17 1 1 A 50 50 GLU H H 50 8.060 7.823 0.237 1
1 598 . 17 1 1 A 50 50 GLU HA H 50 4.007 4.095 -0.088 1
1 603 . 17 1 1 A 50 50 GLU C C 50 178.675 178.288 0.387 1
1 604 . 17 1 1 A 50 50 GLU CA C 50 58.740 58.805 -0.065 1
1 605 . 17 1 1 A 50 50 GLU CB C 50 29.585 29.517 0.068 1
1 607 . 17 1 1 A 50 50 GLU N N 50 121.823 119.096 2.727 1
1 608 . 17 1 1 A 51 51 LYS H H 51 8.089 7.604 0.485 1
1 609 . 17 1 1 A 51 51 LYS HA H 51 4.057 4.050 0.007 1
1 618 . 17 1 1 A 51 51 LYS C C 51 178.241 178.383 -0.142 1
1 619 . 17 1 1 A 51 51 LYS CA C 51 57.727 58.786 -1.059 1
1 620 . 17 1 1 A 51 51 LYS CB C 51 32.090 31.898 0.192 1
1 624 . 17 1 1 A 51 51 LYS N N 51 119.415 119.592 -0.177 1
1 625 . 17 1 1 A 52 52 GLN H H 52 8.043 7.765 0.278 1
1 626 . 17 1 1 A 52 52 GLN HA H 52 4.189 4.207 -0.018 1
1 633 . 17 1 1 A 52 52 GLN C C 52 176.965 178.472 -1.507 1
1 634 . 17 1 1 A 52 52 GLN CA C 52 56.977 57.969 -0.992 1
1 635 . 17 1 1 A 52 52 GLN CB C 52 28.858 28.365 0.493 1
1 637 . 17 1 1 A 52 52 GLN N N 52 118.262 119.512 -1.250 1
1 639 . 17 1 1 A 53 53 SER H H 53 8.088 7.656 0.432 1
1 640 . 17 1 1 A 53 53 SER HA H 53 4.339 4.341 -0.002 1
1 643 . 17 1 1 A 53 53 SER C C 53 175.679 175.997 -0.318 1
1 644 . 17 1 1 A 53 53 SER CA C 53 59.492 60.469 -0.977 1
1 645 . 17 1 1 A 53 53 SER CB C 53 63.849 62.607 1.242 1
1 646 . 17 1 1 A 53 53 SER N N 53 114.966 115.266 -0.300 1
1 647 . 17 1 1 A 54 54 GLY H H 54 8.228 7.923 0.305 1
1 648 . 17 1 1 A 54 54 GLY HA2 H 54 3.939 3.968 -0.029 1
1 649 . 17 1 1 A 54 54 GLY HA3 H 54 3.867 3.971 -0.104 1
1 650 . 17 1 1 A 54 54 GLY C C 54 174.591 174.100 0.491 1
1 651 . 17 1 1 A 54 54 GLY CA C 54 45.776 45.500 0.276 1
1 652 . 17 1 1 A 54 54 GLY N N 54 110.315 107.690 2.625 1
1 653 . 17 1 1 A 55 55 LEU H H 55 7.846 7.994 -0.148 1
1 654 . 17 1 1 A 55 55 LEU HA H 55 4.174 4.005 0.169 1
1 664 . 17 1 1 A 55 55 LEU C C 55 177.315 176.147 1.168 1
1 665 . 17 1 1 A 55 55 LEU CA C 55 55.716 56.689 -0.973 1
1 666 . 17 1 1 A 55 55 LEU CB C 55 42.103 39.874 2.229 1
1 670 . 17 1 1 A 55 55 LEU N N 55 121.456 116.912 4.544 1
1 671 . 17 1 1 A 56 56 TYR H H 56 7.960 8.531 -0.571 1
1 672 . 17 1 1 A 56 56 TYR HA H 56 4.450 4.518 -0.068 1
1 679 . 17 1 1 A 56 56 TYR C C 56 176.206 176.911 -0.705 1
1 680 . 17 1 1 A 56 56 TYR CA C 56 58.242 59.863 -1.621 1
1 681 . 17 1 1 A 56 56 TYR CB C 56 38.478 38.204 0.274 1
1 686 . 17 1 1 A 56 56 TYR N N 56 119.665 117.268 2.397 1
1 687 . 17 1 1 A 57 57 LYS H H 57 8.015 8.941 -0.926 1
1 688 . 17 1 1 A 57 57 LYS HA H 57 4.154 3.877 0.277 1
1 697 . 17 1 1 A 57 57 LYS C C 57 176.553 177.274 -0.721 1
1 698 . 17 1 1 A 57 57 LYS CA C 57 56.656 57.864 -1.208 1
1 699 . 17 1 1 A 57 57 LYS CB C 57 32.870 32.342 0.528 1
1 703 . 17 1 1 A 57 57 LYS N N 57 122.012 118.349 3.663 1
1 704 . 17 1 1 A 58 58 LEU H H 58 8.035 7.733 0.302 1
1 705 . 17 1 1 A 58 58 LEU HA H 58 4.185 4.269 -0.084 1
1 715 . 17 1 1 A 58 58 LEU C C 58 177.527 176.776 0.751 1
1 716 . 17 1 1 A 58 58 LEU CA C 58 55.574 56.873 -1.299 1
1 717 . 17 1 1 A 58 58 LEU CB C 58 42.175 42.265 -0.090 1
1 721 . 17 1 1 A 58 58 LEU N N 58 122.265 117.770 4.495 1
1 722 . 17 1 1 A 59 59 GLU H H 59 8.253 7.719 0.534 1
1 723 . 17 1 1 A 59 59 GLU HA H 59 4.123 3.832 0.291 1
1 728 . 17 1 1 A 59 59 GLU C C 59 176.231 175.294 0.937 1
1 729 . 17 1 1 A 59 59 GLU CA C 59 56.658 57.243 -0.585 1
1 730 . 17 1 1 A 59 59 GLU CB C 59 30.246 27.713 2.533 1
1 732 . 17 1 1 A 59 59 GLU N N 59 120.313 118.295 2.018 1
1 7 . 18 1 1 A 2 2 LYS H H 2 8.138 9.068 -0.930 1
1 8 . 18 1 1 A 2 2 LYS HA H 2 4.325 4.444 -0.119 1
1 17 . 18 1 1 A 2 2 LYS C C 2 176.460 177.200 -0.740 1
1 18 . 18 1 1 A 2 2 LYS CA C 2 56.632 56.669 -0.037 1
1 19 . 18 1 1 A 2 2 LYS CB C 2 33.087 32.350 0.737 1
1 23 . 18 1 1 A 2 2 LYS N N 2 125.275 121.453 3.822 1
1 24 . 18 1 1 A 3 3 ARG H H 3 8.624 7.780 0.844 1
1 25 . 18 1 1 A 3 3 ARG HA H 3 4.220 4.319 -0.099 1
1 32 . 18 1 1 A 3 3 ARG C C 3 176.426 177.334 -0.908 1
1 33 . 18 1 1 A 3 3 ARG CA C 3 56.705 56.614 0.091 1
1 34 . 18 1 1 A 3 3 ARG CB C 3 30.577 30.145 0.432 1
1 37 . 18 1 1 A 3 3 ARG N N 3 123.963 119.554 4.409 1
1 38 . 18 1 1 A 4 4 GLN H H 4 8.613 7.864 0.749 1
1 39 . 18 1 1 A 4 4 GLN HA H 4 4.221 4.209 0.012 1
1 46 . 18 1 1 A 4 4 GLN C C 4 176.604 177.781 -1.177 1
1 47 . 18 1 1 A 4 4 GLN CA C 4 56.626 57.568 -0.942 1
1 48 . 18 1 1 A 4 4 GLN CB C 4 29.536 28.535 1.001 1
1 50 . 18 1 1 A 4 4 GLN N N 4 121.223 120.611 0.612 1
1 52 . 18 1 1 A 5 5 LYS H H 5 8.180 7.879 0.301 1
1 53 . 18 1 1 A 5 5 LYS HA H 5 4.161 4.066 0.095 1
1 62 . 18 1 1 A 5 5 LYS C C 5 176.971 179.108 -2.137 1
1 63 . 18 1 1 A 5 5 LYS CA C 5 57.367 59.855 -2.488 1
1 64 . 18 1 1 A 5 5 LYS CB C 5 32.873 31.972 0.901 1
1 68 . 18 1 1 A 5 5 LYS N N 5 122.464 119.034 3.430 1
1 69 . 18 1 1 A 6 6 ARG H H 6 8.345 7.530 0.815 1
1 70 . 18 1 1 A 6 6 ARG HA H 6 4.119 3.906 0.213 1
1 77 . 18 1 1 A 6 6 ARG C C 6 176.908 178.133 -1.225 1
1 78 . 18 1 1 A 6 6 ARG CA C 6 57.246 58.915 -1.669 1
1 79 . 18 1 1 A 6 6 ARG CB C 6 30.166 29.430 0.736 1
1 82 . 18 1 1 A 6 6 ARG N N 6 121.458 120.100 1.358 1
1 83 . 18 1 1 A 7 7 ASP H H 7 8.422 8.217 0.205 1
1 84 . 18 1 1 A 7 7 ASP HA H 7 4.414 4.246 0.168 1
1 87 . 18 1 1 A 7 7 ASP C C 7 177.562 178.574 -1.012 1
1 88 . 18 1 1 A 7 7 ASP CA C 7 55.809 57.139 -1.330 1
1 89 . 18 1 1 A 7 7 ASP CB C 7 41.064 42.259 -1.195 1
1 90 . 18 1 1 A 7 7 ASP N N 7 120.954 119.713 1.241 1
1 91 . 18 1 1 A 8 8 ARG H H 8 8.061 7.425 0.636 1
1 92 . 18 1 1 A 8 8 ARG HA H 8 3.971 4.095 -0.124 1
1 99 . 18 1 1 A 8 8 ARG C C 8 178.412 178.280 0.132 1
1 100 . 18 1 1 A 8 8 ARG CA C 8 59.160 58.537 0.623 1
1 101 . 18 1 1 A 8 8 ARG CB C 8 30.192 30.029 0.163 1
1 104 . 18 1 1 A 8 8 ARG N N 8 119.853 119.775 0.078 1
1 105 . 18 1 1 A 9 9 LEU H H 9 7.801 7.709 0.092 1
1 106 . 18 1 1 A 9 9 LEU HA H 9 3.727 4.017 -0.290 1
1 116 . 18 1 1 A 9 9 LEU C C 9 178.182 178.528 -0.346 1
1 117 . 18 1 1 A 9 9 LEU CA C 9 57.192 56.291 0.901 1
1 118 . 18 1 1 A 9 9 LEU CB C 9 38.370 41.370 -3.000 1
1 122 . 18 1 1 A 9 9 LEU N N 9 121.052 119.360 1.692 1
1 123 . 18 1 1 A 10 10 GLU H H 10 8.172 8.435 -0.263 1
1 124 . 18 1 1 A 10 10 GLU HA H 10 4.014 4.043 -0.029 1
1 129 . 18 1 1 A 10 10 GLU C C 10 180.022 178.385 1.637 1
1 130 . 18 1 1 A 10 10 GLU CA C 10 59.504 58.932 0.572 1
1 131 . 18 1 1 A 10 10 GLU CB C 10 29.451 29.079 0.372 1
1 133 . 18 1 1 A 10 10 GLU N N 10 120.463 120.249 0.214 1
1 134 . 18 1 1 A 11 11 ARG H H 11 8.202 7.639 0.563 1
1 135 . 18 1 1 A 11 11 ARG HA H 11 4.117 4.094 0.023 1
1 142 . 18 1 1 A 11 11 ARG C C 11 178.321 178.254 0.067 1
1 143 . 18 1 1 A 11 11 ARG CA C 11 59.328 58.735 0.593 1
1 144 . 18 1 1 A 11 11 ARG CB C 11 29.798 29.771 0.027 1
1 147 . 18 1 1 A 11 11 ARG N N 11 119.987 119.891 0.096 1
1 148 . 18 1 1 A 12 12 ALA H H 12 7.661 7.947 -0.286 1
1 149 . 18 1 1 A 12 12 ALA HA H 12 4.603 3.903 0.700 1
1 153 . 18 1 1 A 12 12 ALA C C 12 179.757 179.628 0.129 1
1 154 . 18 1 1 A 12 12 ALA CA C 12 55.536 54.991 0.545 1
1 155 . 18 1 1 A 12 12 ALA CB C 12 18.423 18.078 0.345 1
1 156 . 18 1 1 A 12 12 ALA N N 12 122.208 121.798 0.410 1
1 157 . 18 1 1 A 13 13 GLN H H 13 8.205 8.208 -0.003 1
1 158 . 18 1 1 A 13 13 GLN HA H 13 4.332 4.376 -0.044 1
1 165 . 18 1 1 A 13 13 GLN C C 13 178.128 178.013 0.115 1
1 166 . 18 1 1 A 13 13 GLN CA C 13 59.565 58.723 0.842 1
1 167 . 18 1 1 A 13 13 GLN CB C 13 29.572 28.855 0.717 1
1 169 . 18 1 1 A 13 13 GLN N N 13 118.449 119.572 -1.123 1
1 171 . 18 1 1 A 14 14 SER H H 14 8.245 7.475 0.770 1
1 172 . 18 1 1 A 14 14 SER HA H 14 4.281 4.188 0.093 1
1 175 . 18 1 1 A 14 14 SER C C 14 177.751 177.362 0.389 1
1 176 . 18 1 1 A 14 14 SER CA C 14 61.583 61.379 0.204 1
1 177 . 18 1 1 A 14 14 SER CB C 14 62.897 62.816 0.081 1
1 178 . 18 1 1 A 14 14 SER N N 14 115.275 114.315 0.960 1
1 179 . 18 1 1 A 15 15 GLN H H 15 8.686 8.569 0.117 1
1 180 . 18 1 1 A 15 15 GLN HA H 15 4.124 4.069 0.055 1
1 187 . 18 1 1 A 15 15 GLN C C 15 179.621 178.436 1.185 1
1 188 . 18 1 1 A 15 15 GLN CA C 15 58.803 59.507 -0.704 1
1 189 . 18 1 1 A 15 15 GLN CB C 15 28.201 28.280 -0.079 1
1 191 . 18 1 1 A 15 15 GLN N N 15 121.722 120.708 1.014 1
1 193 . 18 1 1 A 16 16 GLY H H 16 8.439 8.502 -0.063 1
1 194 . 18 1 1 A 16 16 GLY HA2 H 16 1.849 2.675 -0.826 1
1 195 . 18 1 1 A 16 16 GLY HA3 H 16 3.742 2.934 0.808 1
1 196 . 18 1 1 A 16 16 GLY C C 16 175.080 175.061 0.019 1
1 197 . 18 1 1 A 16 16 GLY CA C 16 45.784 46.566 -0.782 1
1 198 . 18 1 1 A 16 16 GLY N N 16 113.363 106.669 6.694 1
1 199 . 18 1 1 A 17 17 TYR H H 17 8.167 7.978 0.189 1
1 200 . 18 1 1 A 17 17 TYR HA H 17 4.014 4.196 -0.182 1
1 207 . 18 1 1 A 17 17 TYR C C 17 177.200 177.630 -0.430 1
1 208 . 18 1 1 A 17 17 TYR CA C 17 60.567 60.827 -0.260 1
1 209 . 18 1 1 A 17 17 TYR CB C 17 38.755 38.756 -0.001 1
1 214 . 18 1 1 A 17 17 TYR N N 17 123.123 123.731 -0.608 1
1 215 . 18 1 1 A 18 18 LYS H H 18 8.003 7.842 0.161 1
1 216 . 18 1 1 A 18 18 LYS HA H 18 3.681 4.157 -0.476 1
1 225 . 18 1 1 A 18 18 LYS C C 18 178.838 178.798 0.040 1
1 226 . 18 1 1 A 18 18 LYS CA C 18 59.677 59.013 0.664 1
1 227 . 18 1 1 A 18 18 LYS CB C 18 32.393 31.960 0.433 1
1 231 . 18 1 1 A 18 18 LYS N N 18 117.920 119.762 -1.842 1
1 232 . 18 1 1 A 19 19 ALA H H 19 8.067 8.671 -0.604 1
1 233 . 18 1 1 A 19 19 ALA HA H 19 4.194 4.244 -0.050 1
1 237 . 18 1 1 A 19 19 ALA C C 19 180.263 179.979 0.284 1
1 238 . 18 1 1 A 19 19 ALA CA C 19 55.349 54.820 0.529 1
1 239 . 18 1 1 A 19 19 ALA CB C 19 19.039 18.765 0.274 1
1 240 . 18 1 1 A 19 19 ALA N N 19 120.778 121.862 -1.084 1
1 241 . 18 1 1 A 20 20 GLY H H 20 8.527 8.125 0.402 1
1 242 . 18 1 1 A 20 20 GLY HA2 H 20 3.101 3.364 -0.263 1
1 243 . 18 1 1 A 20 20 GLY HA3 H 20 3.303 3.462 -0.159 1
1 244 . 18 1 1 A 20 20 GLY C C 20 177.818 175.745 2.073 1
1 245 . 18 1 1 A 20 20 GLY CA C 20 47.102 47.153 -0.051 1
1 246 . 18 1 1 A 20 20 GLY N N 20 107.003 106.577 0.426 1
1 247 . 18 1 1 A 21 21 LEU H H 21 8.310 7.744 0.566 1
1 248 . 18 1 1 A 21 21 LEU HA H 21 3.696 4.214 -0.518 1
1 258 . 18 1 1 A 21 21 LEU C C 21 178.603 178.065 0.538 1
1 259 . 18 1 1 A 21 21 LEU CA C 21 57.417 57.400 0.017 1
1 260 . 18 1 1 A 21 21 LEU CB C 21 41.798 42.851 -1.053 1
1 264 . 18 1 1 A 21 21 LEU N N 21 124.762 122.086 2.676 1
1 265 . 18 1 1 A 22 22 ASN H H 22 7.628 8.937 -1.309 1
1 266 . 18 1 1 A 22 22 ASN HA H 22 4.701 4.796 -0.095 1
1 271 . 18 1 1 A 22 22 ASN C C 22 175.456 177.959 -2.503 1
1 272 . 18 1 1 A 22 22 ASN CA C 22 53.292 55.398 -2.106 1
1 273 . 18 1 1 A 22 22 ASN CB C 22 39.188 38.846 0.342 1
1 274 . 18 1 1 A 22 22 ASN N N 22 114.867 114.857 0.010 1
1 276 . 18 1 1 A 23 23 GLY H H 23 7.586 8.216 -0.630 1
1 277 . 18 1 1 A 23 23 GLY HA2 H 23 3.810 3.995 -0.185 1
1 278 . 18 1 1 A 23 23 GLY HA3 H 23 4.102 4.084 0.018 1
1 279 . 18 1 1 A 23 23 GLY C C 23 175.226 174.844 0.382 1
1 280 . 18 1 1 A 23 23 GLY CA C 23 46.302 45.926 0.376 1
1 281 . 18 1 1 A 23 23 GLY N N 23 106.650 108.952 -2.302 1
1 282 . 18 1 1 A 24 24 ARG H H 24 8.156 8.062 0.094 1
1 283 . 18 1 1 A 24 24 ARG HA H 24 4.508 4.298 0.210 1
1 290 . 18 1 1 A 24 24 ARG C C 24 177.405 175.587 1.818 1
1 291 . 18 1 1 A 24 24 ARG CA C 24 55.103 58.383 -3.280 1
1 292 . 18 1 1 A 24 24 ARG CB C 24 30.537 30.115 0.422 1
1 295 . 18 1 1 A 24 24 ARG N N 24 118.161 120.238 -2.077 1
1 296 . 18 1 1 A 25 25 SER H H 25 9.015 8.426 0.589 1
1 297 . 18 1 1 A 25 25 SER HA H 25 4.804 5.139 -0.335 1
1 300 . 18 1 1 A 25 25 SER C C 25 175.005 174.416 0.589 1
1 301 . 18 1 1 A 25 25 SER CA C 25 57.752 57.271 0.481 1
1 302 . 18 1 1 A 25 25 SER CB C 25 64.687 65.897 -1.210 1
1 303 . 18 1 1 A 25 25 SER N N 25 119.720 113.916 5.804 1
1 304 . 18 1 1 A 26 26 GLN H H 26 8.662 8.573 0.089 1
1 305 . 18 1 1 A 26 26 GLN HA H 26 3.162 4.130 -0.968 1
1 312 . 18 1 1 A 26 26 GLN C C 26 177.736 177.685 0.051 1
1 313 . 18 1 1 A 26 26 GLN CA C 26 58.643 58.329 0.314 1
1 314 . 18 1 1 A 26 26 GLN CB C 26 27.352 28.161 -0.809 1
1 316 . 18 1 1 A 26 26 GLN N N 26 120.247 122.890 -2.643 1
1 318 . 18 1 1 A 27 27 GLU H H 27 8.244 8.100 0.144 1
1 319 . 18 1 1 A 27 27 GLU HA H 27 3.886 3.984 -0.098 1
1 324 . 18 1 1 A 27 27 GLU C C 27 176.177 177.748 -1.571 1
1 325 . 18 1 1 A 27 27 GLU CA C 27 57.807 58.781 -0.974 1
1 326 . 18 1 1 A 27 27 GLU CB C 27 28.583 29.451 -0.868 1
1 328 . 18 1 1 A 27 27 GLU N N 27 117.869 119.728 -1.859 1
1 329 . 18 1 1 A 28 28 ALA H H 28 7.451 7.166 0.285 1
1 330 . 18 1 1 A 28 28 ALA HA H 28 4.070 4.270 -0.200 1
1 334 . 18 1 1 A 28 28 ALA C C 28 176.063 176.410 -0.347 1
1 335 . 18 1 1 A 28 28 ALA CA C 28 51.945 52.255 -0.310 1
1 336 . 18 1 1 A 28 28 ALA CB C 28 18.113 18.610 -0.497 1
1 337 . 18 1 1 A 28 28 ALA N N 28 120.356 118.881 1.475 1
1 338 . 18 1 1 A 29 29 CYS H H 29 6.591 7.357 -0.766 1
1 339 . 18 1 1 A 29 29 CYS HA H 29 1.828 4.146 -2.318 1
1 342 . 18 1 1 A 29 29 CYS CA C 29 56.231 55.239 0.992 1
1 343 . 18 1 1 A 29 29 CYS CB C 29 27.778 27.559 0.219 1
1 344 . 18 1 1 A 29 29 CYS N N 29 121.588 118.944 2.644 1
1 345 . 18 1 1 A 30 30 PRO HA H 30 4.323 4.438 -0.115 1
1 352 . 18 1 1 A 30 30 PRO C C 30 175.515 174.722 0.793 1
1 353 . 18 1 1 A 30 30 PRO CA C 30 63.382 62.493 0.889 1
1 354 . 18 1 1 A 30 30 PRO CB C 30 31.551 29.406 2.145 1
1 357 . 18 1 1 A 31 31 TYR H H 31 6.804 8.213 -1.409 1
1 358 . 18 1 1 A 31 31 TYR HA H 31 4.582 4.654 -0.072 1
1 365 . 18 1 1 A 31 31 TYR C C 31 174.785 175.814 -1.029 1
1 366 . 18 1 1 A 31 31 TYR CA C 31 58.348 59.120 -0.772 1
1 367 . 18 1 1 A 31 31 TYR CB C 31 41.030 40.373 0.657 1
1 372 . 18 1 1 A 31 31 TYR N N 31 118.903 122.310 -3.407 1
1 373 . 18 1 1 A 32 32 GLN H H 32 8.763 7.708 1.055 1
1 374 . 18 1 1 A 32 32 GLN HA H 32 4.344 4.714 -0.370 1
1 381 . 18 1 1 A 32 32 GLN C C 32 176.528 174.658 1.870 1
1 382 . 18 1 1 A 32 32 GLN CA C 32 55.996 54.872 1.124 1
1 383 . 18 1 1 A 32 32 GLN CB C 32 30.182 32.337 -2.155 1
1 385 . 18 1 1 A 32 32 GLN N N 32 120.327 114.139 6.188 1
1 387 . 18 1 1 A 33 33 GLN H H 33 8.230 8.832 -0.602 1
1 388 . 18 1 1 A 33 33 GLN HA H 33 4.262 4.421 -0.159 1
1 395 . 18 1 1 A 33 33 GLN C C 33 177.216 177.641 -0.425 1
1 396 . 18 1 1 A 33 33 GLN CA C 33 56.931 57.612 -0.681 1
1 397 . 18 1 1 A 33 33 GLN CB C 33 28.699 29.395 -0.696 1
1 399 . 18 1 1 A 33 33 GLN N N 33 121.712 121.461 0.251 1
1 401 . 18 1 1 A 34 34 VAL H H 34 8.484 8.026 0.458 1
1 402 . 18 1 1 A 34 34 VAL HA H 34 3.551 3.564 -0.013 1
1 410 . 18 1 1 A 34 34 VAL C C 34 177.685 177.535 0.150 1
1 411 . 18 1 1 A 34 34 VAL CA C 34 66.570 66.482 0.088 1
1 412 . 18 1 1 A 34 34 VAL CB C 34 31.946 31.723 0.223 1
1 415 . 18 1 1 A 34 34 VAL N N 34 122.145 120.141 2.004 1
1 416 . 18 1 1 A 35 35 ASP H H 35 8.324 8.330 -0.006 1
1 417 . 18 1 1 A 35 35 ASP HA H 35 4.434 4.419 0.015 1
1 420 . 18 1 1 A 35 35 ASP C C 35 177.892 178.658 -0.766 1
1 421 . 18 1 1 A 35 35 ASP CA C 35 56.826 57.448 -0.622 1
1 422 . 18 1 1 A 35 35 ASP CB C 35 38.807 40.194 -1.387 1
1 423 . 18 1 1 A 35 35 ASP N N 35 120.937 119.746 1.191 1
1 424 . 18 1 1 A 36 36 ALA H H 36 8.431 8.200 0.231 1
1 425 . 18 1 1 A 36 36 ALA HA H 36 3.598 4.214 -0.616 1
1 429 . 18 1 1 A 36 36 ALA C C 36 178.949 179.685 -0.736 1
1 430 . 18 1 1 A 36 36 ALA CA C 36 55.327 55.123 0.204 1
1 431 . 18 1 1 A 36 36 ALA CB C 36 17.371 18.427 -1.056 1
1 432 . 18 1 1 A 36 36 ALA N N 36 126.210 122.931 3.279 1
1 433 . 18 1 1 A 37 37 ARG H H 37 8.458 8.322 0.136 1
1 434 . 18 1 1 A 37 37 ARG HA H 37 3.857 4.160 -0.303 1
1 442 . 18 1 1 A 37 37 ARG C C 37 177.746 178.670 -0.924 1
1 443 . 18 1 1 A 37 37 ARG CA C 37 60.636 59.684 0.952 1
1 444 . 18 1 1 A 37 37 ARG CB C 37 29.931 29.960 -0.029 1
1 447 . 18 1 1 A 37 37 ARG N N 37 116.717 119.703 -2.986 1
1 449 . 18 1 1 A 38 38 SER H H 38 8.173 7.915 0.258 1
1 450 . 18 1 1 A 38 38 SER HA H 38 4.130 4.190 -0.060 1
1 451 . 18 1 1 A 38 38 SER C C 38 178.293 175.454 2.839 1
1 452 . 18 1 1 A 38 38 SER CA C 38 62.627 62.441 0.186 1
1 453 . 18 1 1 A 38 38 SER N N 38 114.110 116.415 -2.305 1
1 454 . 18 1 1 A 39 39 TYR H H 39 8.343 7.489 0.854 1
1 455 . 18 1 1 A 39 39 TYR HA H 39 4.213 4.526 -0.313 1
1 462 . 18 1 1 A 39 39 TYR C C 39 178.701 178.784 -0.083 1
1 463 . 18 1 1 A 39 39 TYR CA C 39 62.466 60.333 2.133 1
1 464 . 18 1 1 A 39 39 TYR CB C 39 38.687 39.411 -0.724 1
1 469 . 18 1 1 A 39 39 TYR N N 39 123.318 119.108 4.210 1
1 470 . 18 1 1 A 40 40 TRP H H 40 8.818 8.388 0.430 1
1 471 . 18 1 1 A 40 40 TRP HA H 40 4.586 4.670 -0.084 1
1 480 . 18 1 1 A 40 40 TRP C C 40 179.359 177.959 1.400 1
1 481 . 18 1 1 A 40 40 TRP CA C 40 61.953 60.355 1.598 1
1 482 . 18 1 1 A 40 40 TRP CB C 40 31.349 29.881 1.468 1
1 488 . 18 1 1 A 40 40 TRP N N 40 123.286 122.265 1.021 1
1 490 . 18 1 1 A 41 41 LEU H H 41 9.368 8.302 1.066 1
1 491 . 18 1 1 A 41 41 LEU HA H 41 4.405 4.101 0.304 1
1 501 . 18 1 1 A 41 41 LEU C C 41 179.498 179.337 0.161 1
1 502 . 18 1 1 A 41 41 LEU CA C 41 58.206 57.785 0.421 1
1 503 . 18 1 1 A 41 41 LEU CB C 41 41.754 41.561 0.193 1
1 507 . 18 1 1 A 41 41 LEU N N 41 119.265 119.251 0.014 1
1 508 . 18 1 1 A 42 42 GLY H H 42 8.283 8.279 0.004 1
1 509 . 18 1 1 A 42 42 GLY HA2 H 42 3.857 3.713 0.144 1
1 510 . 18 1 1 A 42 42 GLY HA3 H 42 3.929 3.740 0.189 1
1 511 . 18 1 1 A 42 42 GLY C C 42 176.508 176.763 -0.255 1
1 512 . 18 1 1 A 42 42 GLY CA C 42 47.412 47.503 -0.091 1
1 513 . 18 1 1 A 42 42 GLY N N 42 108.413 106.424 1.989 1
1 514 . 18 1 1 A 43 43 GLY H H 43 8.181 7.951 0.230 1
1 515 . 18 1 1 A 43 43 GLY HA2 H 43 4.124 3.852 0.272 1
1 516 . 18 1 1 A 43 43 GLY HA3 H 43 4.258 3.886 0.372 1
1 517 . 18 1 1 A 43 43 GLY C C 43 174.891 175.731 -0.840 1
1 518 . 18 1 1 A 43 43 GLY CA C 43 47.341 46.982 0.359 1
1 519 . 18 1 1 A 43 43 GLY N N 43 109.904 108.821 1.083 1
1 520 . 18 1 1 A 44 44 TRP H H 44 8.460 7.679 0.781 1
1 521 . 18 1 1 A 44 44 TRP HA H 44 3.578 4.075 -0.497 1
1 530 . 18 1 1 A 44 44 TRP C C 44 178.547 178.684 -0.137 1
1 531 . 18 1 1 A 44 44 TRP CA C 44 62.646 59.751 2.895 1
1 532 . 18 1 1 A 44 44 TRP CB C 44 29.467 29.503 -0.036 1
1 538 . 18 1 1 A 44 44 TRP N N 44 124.152 124.140 0.012 1
1 540 . 18 1 1 A 45 45 ARG H H 45 8.759 8.666 0.093 1
1 541 . 18 1 1 A 45 45 ARG HA H 45 3.669 3.979 -0.310 1
1 549 . 18 1 1 A 45 45 ARG C C 45 178.784 178.587 0.197 1
1 550 . 18 1 1 A 45 45 ARG CA C 45 59.785 58.871 0.914 1
1 551 . 18 1 1 A 45 45 ARG CB C 45 30.295 29.629 0.666 1
1 554 . 18 1 1 A 45 45 ARG N N 45 118.655 118.496 0.159 1
1 556 . 18 1 1 A 46 46 ASP H H 46 8.084 8.007 0.077 1
1 557 . 18 1 1 A 46 46 ASP HA H 46 4.362 4.322 0.040 1
1 560 . 18 1 1 A 46 46 ASP C C 46 178.818 177.987 0.831 1
1 561 . 18 1 1 A 46 46 ASP CA C 46 57.518 57.654 -0.136 1
1 562 . 18 1 1 A 46 46 ASP CB C 46 39.752 41.303 -1.551 1
1 563 . 18 1 1 A 46 46 ASP N N 46 120.646 119.273 1.373 1
1 564 . 18 1 1 A 47 47 ALA H H 47 7.873 8.091 -0.218 1
1 565 . 18 1 1 A 47 47 ALA HA H 47 3.627 3.680 -0.053 1
1 569 . 18 1 1 A 47 47 ALA C C 47 179.397 179.381 0.016 1
1 570 . 18 1 1 A 47 47 ALA CA C 47 54.962 54.545 0.417 1
1 571 . 18 1 1 A 47 47 ALA CB C 47 18.940 17.733 1.207 1
1 572 . 18 1 1 A 47 47 ALA N N 47 122.126 121.613 0.513 1
1 573 . 18 1 1 A 48 48 ARG H H 48 7.587 7.731 -0.144 1
1 574 . 18 1 1 A 48 48 ARG HA H 48 3.538 3.690 -0.152 1
1 582 . 18 1 1 A 48 48 ARG C C 48 178.647 178.721 -0.074 1
1 583 . 18 1 1 A 48 48 ARG CA C 48 57.880 59.443 -1.563 1
1 584 . 18 1 1 A 48 48 ARG CB C 48 28.753 29.657 -0.904 1
1 587 . 18 1 1 A 48 48 ARG N N 48 117.721 117.559 0.162 1
1 589 . 18 1 1 A 49 49 ASP H H 49 8.249 8.763 -0.514 1
1 590 . 18 1 1 A 49 49 ASP HA H 49 4.383 4.321 0.062 1
1 593 . 18 1 1 A 49 49 ASP C C 49 178.360 178.275 0.085 1
1 594 . 18 1 1 A 49 49 ASP CA C 49 56.330 56.958 -0.628 1
1 595 . 18 1 1 A 49 49 ASP CB C 49 40.401 40.337 0.064 1
1 596 . 18 1 1 A 49 49 ASP N N 49 119.997 119.601 0.396 1
1 597 . 18 1 1 A 50 50 GLU H H 50 8.060 7.509 0.551 1
1 598 . 18 1 1 A 50 50 GLU HA H 50 4.007 4.079 -0.072 1
1 603 . 18 1 1 A 50 50 GLU C C 50 178.675 178.279 0.396 1
1 604 . 18 1 1 A 50 50 GLU CA C 50 58.740 58.730 0.010 1
1 605 . 18 1 1 A 50 50 GLU CB C 50 29.585 29.596 -0.011 1
1 607 . 18 1 1 A 50 50 GLU N N 50 121.823 119.456 2.367 1
1 608 . 18 1 1 A 51 51 LYS H H 51 8.089 7.667 0.422 1
1 609 . 18 1 1 A 51 51 LYS HA H 51 4.057 4.060 -0.003 1
1 618 . 18 1 1 A 51 51 LYS C C 51 178.241 178.840 -0.599 1
1 619 . 18 1 1 A 51 51 LYS CA C 51 57.727 58.750 -1.023 1
1 620 . 18 1 1 A 51 51 LYS CB C 51 32.090 31.960 0.130 1
1 624 . 18 1 1 A 51 51 LYS N N 51 119.415 119.393 0.022 1
1 625 . 18 1 1 A 52 52 GLN H H 52 8.043 8.288 -0.245 1
1 626 . 18 1 1 A 52 52 GLN HA H 52 4.189 4.116 0.073 1
1 633 . 18 1 1 A 52 52 GLN C C 52 176.965 177.886 -0.921 1
1 634 . 18 1 1 A 52 52 GLN CA C 52 56.977 58.169 -1.192 1
1 635 . 18 1 1 A 52 52 GLN CB C 52 28.858 27.992 0.866 1
1 637 . 18 1 1 A 52 52 GLN N N 52 118.262 118.526 -0.264 1
1 639 . 18 1 1 A 53 53 SER H H 53 8.088 7.786 0.302 1
1 640 . 18 1 1 A 53 53 SER HA H 53 4.339 4.333 0.006 1
1 643 . 18 1 1 A 53 53 SER C C 53 175.679 175.781 -0.102 1
1 644 . 18 1 1 A 53 53 SER CA C 53 59.492 60.930 -1.438 1
1 645 . 18 1 1 A 53 53 SER CB C 53 63.849 62.964 0.885 1
1 646 . 18 1 1 A 53 53 SER N N 53 114.966 117.747 -2.781 1
1 647 . 18 1 1 A 54 54 GLY H H 54 8.228 7.993 0.235 1
1 648 . 18 1 1 A 54 54 GLY HA2 H 54 3.939 3.936 0.003 1
1 649 . 18 1 1 A 54 54 GLY HA3 H 54 3.867 3.975 -0.108 1
1 650 . 18 1 1 A 54 54 GLY C C 54 174.591 174.391 0.200 1
1 651 . 18 1 1 A 54 54 GLY CA C 54 45.776 45.353 0.423 1
1 652 . 18 1 1 A 54 54 GLY N N 54 110.315 108.877 1.438 1
1 653 . 18 1 1 A 55 55 LEU H H 55 7.846 7.645 0.201 1
1 654 . 18 1 1 A 55 55 LEU HA H 55 4.174 4.404 -0.230 1
1 664 . 18 1 1 A 55 55 LEU C C 55 177.315 176.992 0.323 1
1 665 . 18 1 1 A 55 55 LEU CA C 55 55.716 54.301 1.415 1
1 666 . 18 1 1 A 55 55 LEU CB C 55 42.103 40.985 1.118 1
1 670 . 18 1 1 A 55 55 LEU N N 55 121.456 120.149 1.307 1
1 671 . 18 1 1 A 56 56 TYR H H 56 7.960 7.919 0.041 1
1 672 . 18 1 1 A 56 56 TYR HA H 56 4.450 4.480 -0.030 1
1 679 . 18 1 1 A 56 56 TYR C C 56 176.206 176.613 -0.407 1
1 680 . 18 1 1 A 56 56 TYR CA C 56 58.242 58.822 -0.580 1
1 681 . 18 1 1 A 56 56 TYR CB C 56 38.478 38.563 -0.085 1
1 686 . 18 1 1 A 56 56 TYR N N 56 119.665 120.590 -0.925 1
1 687 . 18 1 1 A 57 57 LYS H H 57 8.015 7.844 0.171 1
1 688 . 18 1 1 A 57 57 LYS HA H 57 4.154 4.119 0.035 1
1 697 . 18 1 1 A 57 57 LYS C C 57 176.553 178.957 -2.404 1
1 698 . 18 1 1 A 57 57 LYS CA C 57 56.656 58.434 -1.778 1
1 699 . 18 1 1 A 57 57 LYS CB C 57 32.870 32.384 0.486 1
1 703 . 18 1 1 A 57 57 LYS N N 57 122.012 120.837 1.175 1
1 704 . 18 1 1 A 58 58 LEU H H 58 8.035 7.737 0.298 1
1 705 . 18 1 1 A 58 58 LEU HA H 58 4.185 3.845 0.340 1
1 715 . 18 1 1 A 58 58 LEU C C 58 177.527 178.825 -1.298 1
1 716 . 18 1 1 A 58 58 LEU CA C 58 55.574 57.956 -2.382 1
1 717 . 18 1 1 A 58 58 LEU CB C 58 42.175 41.762 0.413 1
1 721 . 18 1 1 A 58 58 LEU N N 58 122.265 120.058 2.207 1
1 722 . 18 1 1 A 59 59 GLU H H 59 8.253 8.214 0.039 1
1 723 . 18 1 1 A 59 59 GLU HA H 59 4.123 4.336 -0.213 1
1 728 . 18 1 1 A 59 59 GLU C C 59 176.231 176.830 -0.599 1
1 729 . 18 1 1 A 59 59 GLU CA C 59 56.658 57.414 -0.756 1
1 730 . 18 1 1 A 59 59 GLU CB C 59 30.246 30.775 -0.529 1
1 732 . 18 1 1 A 59 59 GLU N N 59 120.313 117.206 3.107 1
1 7 . 19 1 1 A 2 2 LYS H H 2 8.138 7.941 0.197 1
1 8 . 19 1 1 A 2 2 LYS HA H 2 4.325 3.992 0.333 1
1 17 . 19 1 1 A 2 2 LYS C C 2 176.460 177.291 -0.831 1
1 18 . 19 1 1 A 2 2 LYS CA C 2 56.632 57.344 -0.712 1
1 19 . 19 1 1 A 2 2 LYS CB C 2 33.087 31.174 1.913 1
1 23 . 19 1 1 A 2 2 LYS N N 2 125.275 118.801 6.474 1
1 24 . 19 1 1 A 3 3 ARG H H 3 8.624 8.347 0.277 1
1 25 . 19 1 1 A 3 3 ARG HA H 3 4.220 4.300 -0.080 1
1 32 . 19 1 1 A 3 3 ARG C C 3 176.426 176.031 0.395 1
1 33 . 19 1 1 A 3 3 ARG CA C 3 56.705 58.381 -1.676 1
1 34 . 19 1 1 A 3 3 ARG CB C 3 30.577 30.704 -0.127 1
1 37 . 19 1 1 A 3 3 ARG N N 3 123.963 119.179 4.784 1
1 38 . 19 1 1 A 4 4 GLN H H 4 8.613 7.858 0.755 1
1 39 . 19 1 1 A 4 4 GLN HA H 4 4.221 5.179 -0.958 1
1 46 . 19 1 1 A 4 4 GLN C C 4 176.604 174.998 1.606 1
1 47 . 19 1 1 A 4 4 GLN CA C 4 56.626 54.638 1.988 1
1 48 . 19 1 1 A 4 4 GLN CB C 4 29.536 29.672 -0.136 1
1 50 . 19 1 1 A 4 4 GLN N N 4 121.223 117.779 3.444 1
1 52 . 19 1 1 A 5 5 LYS H H 5 8.180 8.159 0.021 1
1 53 . 19 1 1 A 5 5 LYS HA H 5 4.161 4.387 -0.226 1
1 62 . 19 1 1 A 5 5 LYS C C 5 176.971 178.160 -1.189 1
1 63 . 19 1 1 A 5 5 LYS CA C 5 57.367 57.547 -0.180 1
1 64 . 19 1 1 A 5 5 LYS CB C 5 32.873 33.401 -0.528 1
1 68 . 19 1 1 A 5 5 LYS N N 5 122.464 124.449 -1.985 1
1 69 . 19 1 1 A 6 6 ARG H H 6 8.345 8.247 0.098 1
1 70 . 19 1 1 A 6 6 ARG HA H 6 4.119 3.842 0.277 1
1 77 . 19 1 1 A 6 6 ARG C C 6 176.908 178.197 -1.289 1
1 78 . 19 1 1 A 6 6 ARG CA C 6 57.246 58.819 -1.573 1
1 79 . 19 1 1 A 6 6 ARG CB C 6 30.166 30.058 0.108 1
1 82 . 19 1 1 A 6 6 ARG N N 6 121.458 119.916 1.542 1
1 83 . 19 1 1 A 7 7 ASP H H 7 8.422 8.148 0.274 1
1 84 . 19 1 1 A 7 7 ASP HA H 7 4.414 4.317 0.097 1
1 87 . 19 1 1 A 7 7 ASP C C 7 177.562 178.630 -1.068 1
1 88 . 19 1 1 A 7 7 ASP CA C 7 55.809 57.397 -1.588 1
1 89 . 19 1 1 A 7 7 ASP CB C 7 41.064 40.621 0.443 1
1 90 . 19 1 1 A 7 7 ASP N N 7 120.954 119.005 1.949 1
1 91 . 19 1 1 A 8 8 ARG H H 8 8.061 8.078 -0.017 1
1 92 . 19 1 1 A 8 8 ARG HA H 8 3.971 4.092 -0.121 1
1 99 . 19 1 1 A 8 8 ARG C C 8 178.412 178.213 0.199 1
1 100 . 19 1 1 A 8 8 ARG CA C 8 59.160 58.347 0.813 1
1 101 . 19 1 1 A 8 8 ARG CB C 8 30.192 29.296 0.896 1
1 104 . 19 1 1 A 8 8 ARG N N 8 119.853 118.033 1.820 1
1 105 . 19 1 1 A 9 9 LEU H H 9 7.801 7.732 0.069 1
1 106 . 19 1 1 A 9 9 LEU HA H 9 3.727 3.911 -0.184 1
1 116 . 19 1 1 A 9 9 LEU C C 9 178.182 178.549 -0.367 1
1 117 . 19 1 1 A 9 9 LEU CA C 9 57.192 57.275 -0.083 1
1 118 . 19 1 1 A 9 9 LEU CB C 9 38.370 40.761 -2.391 1
1 122 . 19 1 1 A 9 9 LEU N N 9 121.052 120.980 0.072 1
1 123 . 19 1 1 A 10 10 GLU H H 10 8.172 8.534 -0.362 1
1 124 . 19 1 1 A 10 10 GLU HA H 10 4.014 4.174 -0.160 1
1 129 . 19 1 1 A 10 10 GLU C C 10 180.022 179.026 0.996 1
1 130 . 19 1 1 A 10 10 GLU CA C 10 59.504 59.143 0.361 1
1 131 . 19 1 1 A 10 10 GLU CB C 10 29.451 29.340 0.111 1
1 133 . 19 1 1 A 10 10 GLU N N 10 120.463 119.801 0.662 1
1 134 . 19 1 1 A 11 11 ARG H H 11 8.202 7.594 0.608 1
1 135 . 19 1 1 A 11 11 ARG HA H 11 4.117 4.036 0.081 1
1 142 . 19 1 1 A 11 11 ARG C C 11 178.321 179.054 -0.733 1
1 143 . 19 1 1 A 11 11 ARG CA C 11 59.328 58.936 0.392 1
1 144 . 19 1 1 A 11 11 ARG CB C 11 29.798 29.481 0.317 1
1 147 . 19 1 1 A 11 11 ARG N N 11 119.987 119.506 0.481 1
1 148 . 19 1 1 A 12 12 ALA H H 12 7.661 8.010 -0.349 1
1 149 . 19 1 1 A 12 12 ALA HA H 12 4.603 3.892 0.711 1
1 153 . 19 1 1 A 12 12 ALA C C 12 179.757 179.555 0.202 1
1 154 . 19 1 1 A 12 12 ALA CA C 12 55.536 54.839 0.697 1
1 155 . 19 1 1 A 12 12 ALA CB C 12 18.423 17.915 0.508 1
1 156 . 19 1 1 A 12 12 ALA N N 12 122.208 122.058 0.150 1
1 157 . 19 1 1 A 13 13 GLN H H 13 8.205 8.257 -0.052 1
1 158 . 19 1 1 A 13 13 GLN HA H 13 4.332 4.387 -0.055 1
1 165 . 19 1 1 A 13 13 GLN C C 13 178.128 178.282 -0.154 1
1 166 . 19 1 1 A 13 13 GLN CA C 13 59.565 58.200 1.365 1
1 167 . 19 1 1 A 13 13 GLN CB C 13 29.572 29.059 0.513 1
1 169 . 19 1 1 A 13 13 GLN N N 13 118.449 119.686 -1.237 1
1 171 . 19 1 1 A 14 14 SER H H 14 8.245 8.027 0.218 1
1 172 . 19 1 1 A 14 14 SER HA H 14 4.281 4.190 0.091 1
1 175 . 19 1 1 A 14 14 SER C C 14 177.751 176.042 1.709 1
1 176 . 19 1 1 A 14 14 SER CA C 14 61.583 61.293 0.290 1
1 177 . 19 1 1 A 14 14 SER CB C 14 62.897 62.974 -0.077 1
1 178 . 19 1 1 A 14 14 SER N N 14 115.275 117.538 -2.263 1
1 179 . 19 1 1 A 15 15 GLN H H 15 8.686 8.161 0.525 1
1 180 . 19 1 1 A 15 15 GLN HA H 15 4.124 4.079 0.045 1
1 187 . 19 1 1 A 15 15 GLN C C 15 179.621 178.455 1.166 1
1 188 . 19 1 1 A 15 15 GLN CA C 15 58.803 59.396 -0.593 1
1 189 . 19 1 1 A 15 15 GLN CB C 15 28.201 28.262 -0.061 1
1 191 . 19 1 1 A 15 15 GLN N N 15 121.722 120.984 0.738 1
1 193 . 19 1 1 A 16 16 GLY H H 16 8.439 8.673 -0.234 1
1 194 . 19 1 1 A 16 16 GLY HA2 H 16 1.849 2.477 -0.628 1
1 195 . 19 1 1 A 16 16 GLY HA3 H 16 3.742 3.038 0.704 1
1 196 . 19 1 1 A 16 16 GLY C C 16 175.080 175.159 -0.079 1
1 197 . 19 1 1 A 16 16 GLY CA C 16 45.784 46.623 -0.839 1
1 198 . 19 1 1 A 16 16 GLY N N 16 113.363 106.758 6.605 1
1 199 . 19 1 1 A 17 17 TYR H H 17 8.167 7.697 0.470 1
1 200 . 19 1 1 A 17 17 TYR HA H 17 4.014 3.922 0.092 1
1 207 . 19 1 1 A 17 17 TYR C C 17 177.200 177.247 -0.047 1
1 208 . 19 1 1 A 17 17 TYR CA C 17 60.567 60.781 -0.214 1
1 209 . 19 1 1 A 17 17 TYR CB C 17 38.755 38.541 0.214 1
1 214 . 19 1 1 A 17 17 TYR N N 17 123.123 123.758 -0.635 1
1 215 . 19 1 1 A 18 18 LYS H H 18 8.003 7.926 0.077 1
1 216 . 19 1 1 A 18 18 LYS HA H 18 3.681 4.063 -0.382 1
1 225 . 19 1 1 A 18 18 LYS C C 18 178.838 179.201 -0.363 1
1 226 . 19 1 1 A 18 18 LYS CA C 18 59.677 59.130 0.547 1
1 227 . 19 1 1 A 18 18 LYS CB C 18 32.393 32.361 0.032 1
1 231 . 19 1 1 A 18 18 LYS N N 18 117.920 119.708 -1.788 1
1 232 . 19 1 1 A 19 19 ALA H H 19 8.067 8.776 -0.709 1
1 233 . 19 1 1 A 19 19 ALA HA H 19 4.194 4.219 -0.025 1
1 237 . 19 1 1 A 19 19 ALA C C 19 180.263 180.040 0.223 1
1 238 . 19 1 1 A 19 19 ALA CA C 19 55.349 54.894 0.455 1
1 239 . 19 1 1 A 19 19 ALA CB C 19 19.039 18.751 0.288 1
1 240 . 19 1 1 A 19 19 ALA N N 19 120.778 121.083 -0.305 1
1 241 . 19 1 1 A 20 20 GLY H H 20 8.527 8.186 0.341 1
1 242 . 19 1 1 A 20 20 GLY HA2 H 20 3.101 3.175 -0.074 1
1 243 . 19 1 1 A 20 20 GLY HA3 H 20 3.303 3.278 0.025 1
1 244 . 19 1 1 A 20 20 GLY C C 20 177.818 175.476 2.342 1
1 245 . 19 1 1 A 20 20 GLY CA C 20 47.102 46.972 0.130 1
1 246 . 19 1 1 A 20 20 GLY N N 20 107.003 106.301 0.702 1
1 247 . 19 1 1 A 21 21 LEU H H 21 8.310 7.708 0.602 1
1 248 . 19 1 1 A 21 21 LEU HA H 21 3.696 4.132 -0.436 1
1 258 . 19 1 1 A 21 21 LEU C C 21 178.603 178.429 0.174 1
1 259 . 19 1 1 A 21 21 LEU CA C 21 57.417 57.040 0.377 1
1 260 . 19 1 1 A 21 21 LEU CB C 21 41.798 42.415 -0.617 1
1 264 . 19 1 1 A 21 21 LEU N N 21 124.762 122.041 2.721 1
1 265 . 19 1 1 A 22 22 ASN H H 22 7.628 8.507 -0.879 1
1 266 . 19 1 1 A 22 22 ASN HA H 22 4.701 4.787 -0.086 1
1 271 . 19 1 1 A 22 22 ASN C C 22 175.456 177.726 -2.270 1
1 272 . 19 1 1 A 22 22 ASN CA C 22 53.292 55.595 -2.303 1
1 273 . 19 1 1 A 22 22 ASN CB C 22 39.188 39.410 -0.222 1
1 274 . 19 1 1 A 22 22 ASN N N 22 114.867 117.568 -2.701 1
1 276 . 19 1 1 A 23 23 GLY H H 23 7.586 8.115 -0.529 1
1 277 . 19 1 1 A 23 23 GLY HA2 H 23 3.810 3.960 -0.150 1
1 278 . 19 1 1 A 23 23 GLY HA3 H 23 4.102 4.039 0.063 1
1 279 . 19 1 1 A 23 23 GLY C C 23 175.226 175.275 -0.049 1
1 280 . 19 1 1 A 23 23 GLY CA C 23 46.302 45.990 0.312 1
1 281 . 19 1 1 A 23 23 GLY N N 23 106.650 106.924 -0.274 1
1 282 . 19 1 1 A 24 24 ARG H H 24 8.156 8.090 0.066 1
1 283 . 19 1 1 A 24 24 ARG HA H 24 4.508 4.228 0.280 1
1 290 . 19 1 1 A 24 24 ARG C C 24 177.405 175.557 1.848 1
1 291 . 19 1 1 A 24 24 ARG CA C 24 55.103 58.282 -3.179 1
1 292 . 19 1 1 A 24 24 ARG CB C 24 30.537 30.211 0.326 1
1 295 . 19 1 1 A 24 24 ARG N N 24 118.161 119.949 -1.788 1
1 296 . 19 1 1 A 25 25 SER H H 25 9.015 8.809 0.206 1
1 297 . 19 1 1 A 25 25 SER HA H 25 4.804 5.158 -0.354 1
1 300 . 19 1 1 A 25 25 SER C C 25 175.005 174.415 0.590 1
1 301 . 19 1 1 A 25 25 SER CA C 25 57.752 57.172 0.580 1
1 302 . 19 1 1 A 25 25 SER CB C 25 64.687 66.070 -1.383 1
1 303 . 19 1 1 A 25 25 SER N N 25 119.720 113.881 5.839 1
1 304 . 19 1 1 A 26 26 GLN H H 26 8.662 8.556 0.106 1
1 305 . 19 1 1 A 26 26 GLN HA H 26 3.162 4.274 -1.112 1
1 312 . 19 1 1 A 26 26 GLN C C 26 177.736 177.211 0.525 1
1 313 . 19 1 1 A 26 26 GLN CA C 26 58.643 57.284 1.359 1
1 314 . 19 1 1 A 26 26 GLN CB C 26 27.352 28.251 -0.899 1
1 316 . 19 1 1 A 26 26 GLN N N 26 120.247 122.721 -2.474 1
1 318 . 19 1 1 A 27 27 GLU H H 27 8.244 7.998 0.246 1
1 319 . 19 1 1 A 27 27 GLU HA H 27 3.886 4.105 -0.219 1
1 324 . 19 1 1 A 27 27 GLU C C 27 176.177 177.844 -1.667 1
1 325 . 19 1 1 A 27 27 GLU CA C 27 57.807 58.135 -0.328 1
1 326 . 19 1 1 A 27 27 GLU CB C 27 28.583 29.632 -1.049 1
1 328 . 19 1 1 A 27 27 GLU N N 27 117.869 120.869 -3.000 1
1 329 . 19 1 1 A 28 28 ALA H H 28 7.451 7.558 -0.107 1
1 330 . 19 1 1 A 28 28 ALA HA H 28 4.070 4.394 -0.324 1
1 334 . 19 1 1 A 28 28 ALA C C 28 176.063 177.137 -1.074 1
1 335 . 19 1 1 A 28 28 ALA CA C 28 51.945 52.189 -0.244 1
1 336 . 19 1 1 A 28 28 ALA CB C 28 18.113 19.115 -1.002 1
1 337 . 19 1 1 A 28 28 ALA N N 28 120.356 120.728 -0.372 1
1 338 . 19 1 1 A 29 29 CYS H H 29 6.591 6.999 -0.408 1
1 339 . 19 1 1 A 29 29 CYS HA H 29 1.828 3.944 -2.116 1
1 342 . 19 1 1 A 29 29 CYS CA C 29 56.231 55.203 1.028 1
1 343 . 19 1 1 A 29 29 CYS CB C 29 27.778 27.835 -0.057 1
1 344 . 19 1 1 A 29 29 CYS N N 29 121.588 119.211 2.377 1
1 345 . 19 1 1 A 30 30 PRO HA H 30 4.323 4.383 -0.060 1
1 352 . 19 1 1 A 30 30 PRO C C 30 175.515 176.401 -0.886 1
1 353 . 19 1 1 A 30 30 PRO CA C 30 63.382 63.599 -0.217 1
1 354 . 19 1 1 A 30 30 PRO CB C 30 31.551 32.877 -1.326 1
1 357 . 19 1 1 A 31 31 TYR H H 31 6.804 7.905 -1.101 1
1 358 . 19 1 1 A 31 31 TYR HA H 31 4.582 4.353 0.229 1
1 365 . 19 1 1 A 31 31 TYR C C 31 174.785 175.365 -0.580 1
1 366 . 19 1 1 A 31 31 TYR CA C 31 58.348 60.239 -1.891 1
1 367 . 19 1 1 A 31 31 TYR CB C 31 41.030 38.867 2.163 1
1 372 . 19 1 1 A 31 31 TYR N N 31 118.903 120.313 -1.410 1
1 373 . 19 1 1 A 32 32 GLN H H 32 8.763 7.874 0.889 1
1 374 . 19 1 1 A 32 32 GLN HA H 32 4.344 4.727 -0.383 1
1 381 . 19 1 1 A 32 32 GLN C C 32 176.528 174.616 1.912 1
1 382 . 19 1 1 A 32 32 GLN CA C 32 55.996 54.451 1.545 1
1 383 . 19 1 1 A 32 32 GLN CB C 32 30.182 32.180 -1.998 1
1 385 . 19 1 1 A 32 32 GLN N N 32 120.327 116.386 3.941 1
1 387 . 19 1 1 A 33 33 GLN H H 33 8.230 8.668 -0.438 1
1 388 . 19 1 1 A 33 33 GLN HA H 33 4.262 4.403 -0.141 1
1 395 . 19 1 1 A 33 33 GLN C C 33 177.216 177.854 -0.638 1
1 396 . 19 1 1 A 33 33 GLN CA C 33 56.931 57.606 -0.675 1
1 397 . 19 1 1 A 33 33 GLN CB C 33 28.699 29.378 -0.679 1
1 399 . 19 1 1 A 33 33 GLN N N 33 121.712 121.474 0.238 1
1 401 . 19 1 1 A 34 34 VAL H H 34 8.484 8.080 0.404 1
1 402 . 19 1 1 A 34 34 VAL HA H 34 3.551 3.591 -0.040 1
1 410 . 19 1 1 A 34 34 VAL C C 34 177.685 177.609 0.076 1
1 411 . 19 1 1 A 34 34 VAL CA C 34 66.570 66.686 -0.116 1
1 412 . 19 1 1 A 34 34 VAL CB C 34 31.946 31.685 0.261 1
1 415 . 19 1 1 A 34 34 VAL N N 34 122.145 120.070 2.075 1
1 416 . 19 1 1 A 35 35 ASP H H 35 8.324 8.284 0.040 1
1 417 . 19 1 1 A 35 35 ASP HA H 35 4.434 4.479 -0.045 1
1 420 . 19 1 1 A 35 35 ASP C C 35 177.892 178.695 -0.803 1
1 421 . 19 1 1 A 35 35 ASP CA C 35 56.826 57.418 -0.592 1
1 422 . 19 1 1 A 35 35 ASP CB C 35 38.807 40.250 -1.443 1
1 423 . 19 1 1 A 35 35 ASP N N 35 120.937 119.383 1.554 1
1 424 . 19 1 1 A 36 36 ALA H H 36 8.431 8.252 0.179 1
1 425 . 19 1 1 A 36 36 ALA HA H 36 3.598 4.100 -0.502 1
1 429 . 19 1 1 A 36 36 ALA C C 36 178.949 179.498 -0.549 1
1 430 . 19 1 1 A 36 36 ALA CA C 36 55.327 55.295 0.032 1
1 431 . 19 1 1 A 36 36 ALA CB C 36 17.371 17.940 -0.569 1
1 432 . 19 1 1 A 36 36 ALA N N 36 126.210 122.832 3.378 1
1 433 . 19 1 1 A 37 37 ARG H H 37 8.458 8.450 0.008 1
1 434 . 19 1 1 A 37 37 ARG HA H 37 3.857 4.255 -0.398 1
1 442 . 19 1 1 A 37 37 ARG C C 37 177.746 179.036 -1.290 1
1 443 . 19 1 1 A 37 37 ARG CA C 37 60.636 59.946 0.690 1
1 444 . 19 1 1 A 37 37 ARG CB C 37 29.931 30.070 -0.139 1
1 447 . 19 1 1 A 37 37 ARG N N 37 116.717 118.530 -1.813 1
1 449 . 19 1 1 A 38 38 SER H H 38 8.173 7.928 0.245 1
1 450 . 19 1 1 A 38 38 SER HA H 38 4.130 4.184 -0.054 1
1 451 . 19 1 1 A 38 38 SER C C 38 178.293 175.358 2.935 1
1 452 . 19 1 1 A 38 38 SER CA C 38 62.627 62.395 0.232 1
1 453 . 19 1 1 A 38 38 SER N N 38 114.110 116.712 -2.602 1
1 454 . 19 1 1 A 39 39 TYR H H 39 8.343 7.664 0.679 1
1 455 . 19 1 1 A 39 39 TYR HA H 39 4.213 4.512 -0.299 1
1 462 . 19 1 1 A 39 39 TYR C C 39 178.701 178.436 0.265 1
1 463 . 19 1 1 A 39 39 TYR CA C 39 62.466 60.194 2.272 1
1 464 . 19 1 1 A 39 39 TYR CB C 39 38.687 39.646 -0.959 1
1 469 . 19 1 1 A 39 39 TYR N N 39 123.318 118.258 5.060 1
1 470 . 19 1 1 A 40 40 TRP H H 40 8.818 8.720 0.098 1
1 471 . 19 1 1 A 40 40 TRP HA H 40 4.586 4.623 -0.037 1
1 480 . 19 1 1 A 40 40 TRP C C 40 179.359 178.080 1.279 1
1 481 . 19 1 1 A 40 40 TRP CA C 40 61.953 60.496 1.457 1
1 482 . 19 1 1 A 40 40 TRP CB C 40 31.349 30.173 1.176 1
1 488 . 19 1 1 A 40 40 TRP N N 40 123.286 122.030 1.256 1
1 490 . 19 1 1 A 41 41 LEU H H 41 9.368 8.148 1.220 1
1 491 . 19 1 1 A 41 41 LEU HA H 41 4.405 4.234 0.171 1
1 501 . 19 1 1 A 41 41 LEU C C 41 179.498 178.853 0.645 1
1 502 . 19 1 1 A 41 41 LEU CA C 41 58.206 57.501 0.705 1
1 503 . 19 1 1 A 41 41 LEU CB C 41 41.754 41.915 -0.161 1
1 507 . 19 1 1 A 41 41 LEU N N 41 119.265 120.982 -1.717 1
1 508 . 19 1 1 A 42 42 GLY H H 42 8.283 8.028 0.255 1
1 509 . 19 1 1 A 42 42 GLY HA2 H 42 3.857 3.814 0.043 1
1 510 . 19 1 1 A 42 42 GLY HA3 H 42 3.929 3.840 0.089 1
1 511 . 19 1 1 A 42 42 GLY C C 42 176.508 176.874 -0.366 1
1 512 . 19 1 1 A 42 42 GLY CA C 42 47.412 47.517 -0.105 1
1 513 . 19 1 1 A 42 42 GLY N N 42 108.413 107.212 1.201 1
1 514 . 19 1 1 A 43 43 GLY H H 43 8.181 8.148 0.033 1
1 515 . 19 1 1 A 43 43 GLY HA2 H 43 4.124 3.832 0.292 1
1 516 . 19 1 1 A 43 43 GLY HA3 H 43 4.258 3.873 0.385 1
1 517 . 19 1 1 A 43 43 GLY C C 43 174.891 175.508 -0.617 1
1 518 . 19 1 1 A 43 43 GLY CA C 43 47.341 47.058 0.283 1
1 519 . 19 1 1 A 43 43 GLY N N 43 109.904 108.774 1.130 1
1 520 . 19 1 1 A 44 44 TRP H H 44 8.460 7.973 0.487 1
1 521 . 19 1 1 A 44 44 TRP HA H 44 3.578 4.022 -0.444 1
1 530 . 19 1 1 A 44 44 TRP C C 44 178.547 178.304 0.243 1
1 531 . 19 1 1 A 44 44 TRP CA C 44 62.646 60.063 2.583 1
1 532 . 19 1 1 A 44 44 TRP CB C 44 29.467 29.281 0.186 1
1 538 . 19 1 1 A 44 44 TRP N N 44 124.152 124.173 -0.021 1
1 540 . 19 1 1 A 45 45 ARG H H 45 8.759 8.741 0.018 1
1 541 . 19 1 1 A 45 45 ARG HA H 45 3.669 4.052 -0.383 1
1 549 . 19 1 1 A 45 45 ARG C C 45 178.784 178.353 0.431 1
1 550 . 19 1 1 A 45 45 ARG CA C 45 59.785 59.764 0.021 1
1 551 . 19 1 1 A 45 45 ARG CB C 45 30.295 30.113 0.182 1
1 554 . 19 1 1 A 45 45 ARG N N 45 118.655 119.001 -0.346 1
1 556 . 19 1 1 A 46 46 ASP H H 46 8.084 8.049 0.035 1
1 557 . 19 1 1 A 46 46 ASP HA H 46 4.362 4.367 -0.005 1
1 560 . 19 1 1 A 46 46 ASP C C 46 178.818 177.990 0.828 1
1 561 . 19 1 1 A 46 46 ASP CA C 46 57.518 57.664 -0.146 1
1 562 . 19 1 1 A 46 46 ASP CB C 46 39.752 41.005 -1.253 1
1 563 . 19 1 1 A 46 46 ASP N N 46 120.646 118.907 1.739 1
1 564 . 19 1 1 A 47 47 ALA H H 47 7.873 8.012 -0.139 1
1 565 . 19 1 1 A 47 47 ALA HA H 47 3.627 3.684 -0.057 1
1 569 . 19 1 1 A 47 47 ALA C C 47 179.397 178.695 0.702 1
1 570 . 19 1 1 A 47 47 ALA CA C 47 54.962 54.874 0.088 1
1 571 . 19 1 1 A 47 47 ALA CB C 47 18.940 17.506 1.434 1
1 572 . 19 1 1 A 47 47 ALA N N 47 122.126 121.201 0.925 1
1 573 . 19 1 1 A 48 48 ARG H H 48 7.587 7.265 0.322 1
1 574 . 19 1 1 A 48 48 ARG HA H 48 3.538 3.814 -0.276 1
1 582 . 19 1 1 A 48 48 ARG C C 48 178.647 178.105 0.542 1
1 583 . 19 1 1 A 48 48 ARG CA C 48 57.880 59.178 -1.298 1
1 584 . 19 1 1 A 48 48 ARG CB C 48 28.753 29.719 -0.966 1
1 587 . 19 1 1 A 48 48 ARG N N 48 117.721 118.046 -0.325 1
1 589 . 19 1 1 A 49 49 ASP H H 49 8.249 8.340 -0.091 1
1 590 . 19 1 1 A 49 49 ASP HA H 49 4.383 4.407 -0.024 1
1 593 . 19 1 1 A 49 49 ASP C C 49 178.360 177.196 1.164 1
1 594 . 19 1 1 A 49 49 ASP CA C 49 56.330 56.368 -0.038 1
1 595 . 19 1 1 A 49 49 ASP CB C 49 40.401 40.856 -0.455 1
1 596 . 19 1 1 A 49 49 ASP N N 49 119.997 119.527 0.470 1
1 597 . 19 1 1 A 50 50 GLU H H 50 8.060 7.757 0.303 1
1 598 . 19 1 1 A 50 50 GLU HA H 50 4.007 4.221 -0.214 1
1 603 . 19 1 1 A 50 50 GLU C C 50 178.675 177.944 0.731 1
1 604 . 19 1 1 A 50 50 GLU CA C 50 58.740 58.009 0.731 1
1 605 . 19 1 1 A 50 50 GLU CB C 50 29.585 29.823 -0.238 1
1 607 . 19 1 1 A 50 50 GLU N N 50 121.823 118.108 3.715 1
1 608 . 19 1 1 A 51 51 LYS H H 51 8.089 7.540 0.549 1
1 609 . 19 1 1 A 51 51 LYS HA H 51 4.057 4.169 -0.112 1
1 618 . 19 1 1 A 51 51 LYS C C 51 178.241 178.551 -0.310 1
1 619 . 19 1 1 A 51 51 LYS CA C 51 57.727 58.045 -0.318 1
1 620 . 19 1 1 A 51 51 LYS CB C 51 32.090 32.607 -0.517 1
1 624 . 19 1 1 A 51 51 LYS N N 51 119.415 119.310 0.105 1
1 625 . 19 1 1 A 52 52 GLN H H 52 8.043 8.104 -0.061 1
1 626 . 19 1 1 A 52 52 GLN HA H 52 4.189 4.218 -0.029 1
1 633 . 19 1 1 A 52 52 GLN C C 52 176.965 177.997 -1.032 1
1 634 . 19 1 1 A 52 52 GLN CA C 52 56.977 58.430 -1.453 1
1 635 . 19 1 1 A 52 52 GLN CB C 52 28.858 29.222 -0.364 1
1 637 . 19 1 1 A 52 52 GLN N N 52 118.262 118.703 -0.441 1
1 639 . 19 1 1 A 53 53 SER H H 53 8.088 8.409 -0.321 1
1 640 . 19 1 1 A 53 53 SER HA H 53 4.339 4.276 0.063 1
1 643 . 19 1 1 A 53 53 SER C C 53 175.679 177.325 -1.646 1
1 644 . 19 1 1 A 53 53 SER CA C 53 59.492 61.149 -1.657 1
1 645 . 19 1 1 A 53 53 SER CB C 53 63.849 63.176 0.673 1
1 646 . 19 1 1 A 53 53 SER N N 53 114.966 116.945 -1.979 1
1 647 . 19 1 1 A 54 54 GLY H H 54 8.228 8.372 -0.144 1
1 648 . 19 1 1 A 54 54 GLY HA2 H 54 3.939 3.869 0.070 1
1 649 . 19 1 1 A 54 54 GLY HA3 H 54 3.867 3.870 -0.003 1
1 650 . 19 1 1 A 54 54 GLY C C 54 174.591 175.440 -0.849 1
1 651 . 19 1 1 A 54 54 GLY CA C 54 45.776 46.528 -0.752 1
1 652 . 19 1 1 A 54 54 GLY N N 54 110.315 109.290 1.025 1
1 653 . 19 1 1 A 55 55 LEU H H 55 7.846 7.354 0.492 1
1 654 . 19 1 1 A 55 55 LEU HA H 55 4.174 4.516 -0.342 1
1 664 . 19 1 1 A 55 55 LEU C C 55 177.315 177.470 -0.155 1
1 665 . 19 1 1 A 55 55 LEU CA C 55 55.716 56.242 -0.526 1
1 666 . 19 1 1 A 55 55 LEU CB C 55 42.103 42.847 -0.744 1
1 670 . 19 1 1 A 55 55 LEU N N 55 121.456 120.316 1.140 1
1 671 . 19 1 1 A 56 56 TYR H H 56 7.960 8.068 -0.108 1
1 672 . 19 1 1 A 56 56 TYR HA H 56 4.450 4.486 -0.036 1
1 679 . 19 1 1 A 56 56 TYR C C 56 176.206 174.843 1.363 1
1 680 . 19 1 1 A 56 56 TYR CA C 56 58.242 59.910 -1.668 1
1 681 . 19 1 1 A 56 56 TYR CB C 56 38.478 38.245 0.233 1
1 686 . 19 1 1 A 56 56 TYR N N 56 119.665 118.849 0.816 1
1 687 . 19 1 1 A 57 57 LYS H H 57 8.015 8.722 -0.707 1
1 688 . 19 1 1 A 57 57 LYS HA H 57 4.154 4.539 -0.385 1
1 697 . 19 1 1 A 57 57 LYS C C 57 176.553 175.501 1.052 1
1 698 . 19 1 1 A 57 57 LYS CA C 57 56.656 55.565 1.091 1
1 699 . 19 1 1 A 57 57 LYS CB C 57 32.870 33.864 -0.994 1
1 703 . 19 1 1 A 57 57 LYS N N 57 122.012 119.841 2.171 1
1 704 . 19 1 1 A 58 58 LEU H H 58 8.035 8.013 0.022 1
1 705 . 19 1 1 A 58 58 LEU HA H 58 4.185 4.493 -0.308 1
1 715 . 19 1 1 A 58 58 LEU C C 58 177.527 176.791 0.736 1
1 716 . 19 1 1 A 58 58 LEU CA C 58 55.574 53.514 2.060 1
1 717 . 19 1 1 A 58 58 LEU CB C 58 42.175 43.405 -1.230 1
1 721 . 19 1 1 A 58 58 LEU N N 58 122.265 121.770 0.495 1
1 722 . 19 1 1 A 59 59 GLU H H 59 8.253 8.697 -0.444 1
1 723 . 19 1 1 A 59 59 GLU HA H 59 4.123 4.737 -0.614 1
1 728 . 19 1 1 A 59 59 GLU C C 59 176.231 176.042 0.189 1
1 729 . 19 1 1 A 59 59 GLU CA C 59 56.658 56.677 -0.019 1
1 730 . 19 1 1 A 59 59 GLU CB C 59 30.246 32.108 -1.862 1
1 732 . 19 1 1 A 59 59 GLU N N 59 120.313 118.389 1.924 1
1 7 . 20 1 1 A 2 2 LYS H H 2 8.138 7.503 0.635 1
1 8 . 20 1 1 A 2 2 LYS HA H 2 4.325 4.417 -0.092 1
1 17 . 20 1 1 A 2 2 LYS C C 2 176.460 176.294 0.166 1
1 18 . 20 1 1 A 2 2 LYS CA C 2 56.632 55.558 1.074 1
1 19 . 20 1 1 A 2 2 LYS CB C 2 33.087 32.020 1.067 1
1 23 . 20 1 1 A 2 2 LYS N N 2 125.275 121.811 3.464 1
1 24 . 20 1 1 A 3 3 ARG H H 3 8.624 7.961 0.663 1
1 25 . 20 1 1 A 3 3 ARG HA H 3 4.220 4.509 -0.289 1
1 32 . 20 1 1 A 3 3 ARG C C 3 176.426 176.468 -0.042 1
1 33 . 20 1 1 A 3 3 ARG CA C 3 56.705 55.828 0.877 1
1 34 . 20 1 1 A 3 3 ARG CB C 3 30.577 31.617 -1.040 1
1 37 . 20 1 1 A 3 3 ARG N N 3 123.963 122.623 1.340 1
1 38 . 20 1 1 A 4 4 GLN H H 4 8.613 8.033 0.580 1
1 39 . 20 1 1 A 4 4 GLN HA H 4 4.221 4.668 -0.447 1
1 46 . 20 1 1 A 4 4 GLN C C 4 176.604 177.983 -1.379 1
1 47 . 20 1 1 A 4 4 GLN CA C 4 56.626 57.190 -0.564 1
1 48 . 20 1 1 A 4 4 GLN CB C 4 29.536 28.530 1.006 1
1 50 . 20 1 1 A 4 4 GLN N N 4 121.223 119.807 1.416 1
1 52 . 20 1 1 A 5 5 LYS H H 5 8.180 8.533 -0.353 1
1 53 . 20 1 1 A 5 5 LYS HA H 5 4.161 3.997 0.164 1
1 62 . 20 1 1 A 5 5 LYS C C 5 176.971 178.819 -1.848 1
1 63 . 20 1 1 A 5 5 LYS CA C 5 57.367 59.356 -1.989 1
1 64 . 20 1 1 A 5 5 LYS CB C 5 32.873 31.852 1.021 1
1 68 . 20 1 1 A 5 5 LYS N N 5 122.464 119.180 3.284 1
1 69 . 20 1 1 A 6 6 ARG H H 6 8.345 7.817 0.528 1
1 70 . 20 1 1 A 6 6 ARG HA H 6 4.119 3.743 0.376 1
1 77 . 20 1 1 A 6 6 ARG C C 6 176.908 178.288 -1.380 1
1 78 . 20 1 1 A 6 6 ARG CA C 6 57.246 58.807 -1.561 1
1 79 . 20 1 1 A 6 6 ARG CB C 6 30.166 29.713 0.453 1
1 82 . 20 1 1 A 6 6 ARG N N 6 121.458 119.744 1.714 1
1 83 . 20 1 1 A 7 7 ASP H H 7 8.422 8.166 0.256 1
1 84 . 20 1 1 A 7 7 ASP HA H 7 4.414 4.292 0.122 1
1 87 . 20 1 1 A 7 7 ASP C C 7 177.562 178.551 -0.989 1
1 88 . 20 1 1 A 7 7 ASP CA C 7 55.809 57.506 -1.697 1
1 89 . 20 1 1 A 7 7 ASP CB C 7 41.064 40.467 0.597 1
1 90 . 20 1 1 A 7 7 ASP N N 7 120.954 119.865 1.089 1
1 91 . 20 1 1 A 8 8 ARG H H 8 8.061 7.787 0.274 1
1 92 . 20 1 1 A 8 8 ARG HA H 8 3.971 3.980 -0.009 1
1 99 . 20 1 1 A 8 8 ARG C C 8 178.412 178.091 0.321 1
1 100 . 20 1 1 A 8 8 ARG CA C 8 59.160 58.703 0.457 1
1 101 . 20 1 1 A 8 8 ARG CB C 8 30.192 29.659 0.533 1
1 104 . 20 1 1 A 8 8 ARG N N 8 119.853 117.869 1.984 1
1 105 . 20 1 1 A 9 9 LEU H H 9 7.801 7.809 -0.008 1
1 106 . 20 1 1 A 9 9 LEU HA H 9 3.727 3.949 -0.222 1
1 116 . 20 1 1 A 9 9 LEU C C 9 178.182 178.757 -0.575 1
1 117 . 20 1 1 A 9 9 LEU CA C 9 57.192 57.074 0.118 1
1 118 . 20 1 1 A 9 9 LEU CB C 9 38.370 40.736 -2.366 1
1 122 . 20 1 1 A 9 9 LEU N N 9 121.052 120.643 0.409 1
1 123 . 20 1 1 A 10 10 GLU H H 10 8.172 8.370 -0.198 1
1 124 . 20 1 1 A 10 10 GLU HA H 10 4.014 4.063 -0.049 1
1 129 . 20 1 1 A 10 10 GLU C C 10 180.022 179.139 0.883 1
1 130 . 20 1 1 A 10 10 GLU CA C 10 59.504 59.079 0.425 1
1 131 . 20 1 1 A 10 10 GLU CB C 10 29.451 29.119 0.332 1
1 133 . 20 1 1 A 10 10 GLU N N 10 120.463 120.244 0.219 1
1 134 . 20 1 1 A 11 11 ARG H H 11 8.202 7.832 0.370 1
1 135 . 20 1 1 A 11 11 ARG HA H 11 4.117 3.959 0.158 1
1 142 . 20 1 1 A 11 11 ARG C C 11 178.321 179.022 -0.701 1
1 143 . 20 1 1 A 11 11 ARG CA C 11 59.328 59.025 0.303 1
1 144 . 20 1 1 A 11 11 ARG CB C 11 29.798 30.226 -0.428 1
1 147 . 20 1 1 A 11 11 ARG N N 11 119.987 119.649 0.338 1
1 148 . 20 1 1 A 12 12 ALA H H 12 7.661 8.034 -0.373 1
1 149 . 20 1 1 A 12 12 ALA HA H 12 4.603 3.883 0.720 1
1 153 . 20 1 1 A 12 12 ALA C C 12 179.757 179.790 -0.033 1
1 154 . 20 1 1 A 12 12 ALA CA C 12 55.536 54.971 0.565 1
1 155 . 20 1 1 A 12 12 ALA CB C 12 18.423 18.208 0.215 1
1 156 . 20 1 1 A 12 12 ALA N N 12 122.208 121.682 0.526 1
1 157 . 20 1 1 A 13 13 GLN H H 13 8.205 8.295 -0.090 1
1 158 . 20 1 1 A 13 13 GLN HA H 13 4.332 4.080 0.252 1
1 165 . 20 1 1 A 13 13 GLN C C 13 178.128 178.180 -0.052 1
1 166 . 20 1 1 A 13 13 GLN CA C 13 59.565 59.042 0.523 1
1 167 . 20 1 1 A 13 13 GLN CB C 13 29.572 28.640 0.932 1
1 169 . 20 1 1 A 13 13 GLN N N 13 118.449 119.455 -1.006 1
1 171 . 20 1 1 A 14 14 SER H H 14 8.245 7.585 0.660 1
1 172 . 20 1 1 A 14 14 SER HA H 14 4.281 4.224 0.057 1
1 175 . 20 1 1 A 14 14 SER C C 14 177.751 177.481 0.270 1
1 176 . 20 1 1 A 14 14 SER CA C 14 61.583 61.429 0.154 1
1 177 . 20 1 1 A 14 14 SER CB C 14 62.897 62.680 0.217 1
1 178 . 20 1 1 A 14 14 SER N N 14 115.275 114.324 0.951 1
1 179 . 20 1 1 A 15 15 GLN H H 15 8.686 8.894 -0.208 1
1 180 . 20 1 1 A 15 15 GLN HA H 15 4.124 4.080 0.044 1
1 187 . 20 1 1 A 15 15 GLN C C 15 179.621 178.575 1.046 1
1 188 . 20 1 1 A 15 15 GLN CA C 15 58.803 59.481 -0.678 1
1 189 . 20 1 1 A 15 15 GLN CB C 15 28.201 28.290 -0.089 1
1 191 . 20 1 1 A 15 15 GLN N N 15 121.722 120.611 1.111 1
1 193 . 20 1 1 A 16 16 GLY H H 16 8.439 8.763 -0.324 1
1 194 . 20 1 1 A 16 16 GLY HA2 H 16 1.849 2.748 -0.899 1
1 195 . 20 1 1 A 16 16 GLY HA3 H 16 3.742 3.166 0.576 1
1 196 . 20 1 1 A 16 16 GLY C C 16 175.080 175.228 -0.148 1
1 197 . 20 1 1 A 16 16 GLY CA C 16 45.784 46.767 -0.983 1
1 198 . 20 1 1 A 16 16 GLY N N 16 113.363 106.893 6.470 1
1 199 . 20 1 1 A 17 17 TYR H H 17 8.167 7.782 0.385 1
1 200 . 20 1 1 A 17 17 TYR HA H 17 4.014 4.338 -0.324 1
1 207 . 20 1 1 A 17 17 TYR C C 17 177.200 177.618 -0.418 1
1 208 . 20 1 1 A 17 17 TYR CA C 17 60.567 60.825 -0.258 1
1 209 . 20 1 1 A 17 17 TYR CB C 17 38.755 38.602 0.153 1
1 214 . 20 1 1 A 17 17 TYR N N 17 123.123 123.638 -0.515 1
1 215 . 20 1 1 A 18 18 LYS H H 18 8.003 7.760 0.243 1
1 216 . 20 1 1 A 18 18 LYS HA H 18 3.681 4.046 -0.365 1
1 225 . 20 1 1 A 18 18 LYS C C 18 178.838 178.944 -0.106 1
1 226 . 20 1 1 A 18 18 LYS CA C 18 59.677 58.796 0.881 1
1 227 . 20 1 1 A 18 18 LYS CB C 18 32.393 32.102 0.291 1
1 231 . 20 1 1 A 18 18 LYS N N 18 117.920 119.521 -1.601 1
1 232 . 20 1 1 A 19 19 ALA H H 19 8.067 8.826 -0.759 1
1 233 . 20 1 1 A 19 19 ALA HA H 19 4.194 4.185 0.009 1
1 237 . 20 1 1 A 19 19 ALA C C 19 180.263 179.972 0.291 1
1 238 . 20 1 1 A 19 19 ALA CA C 19 55.349 54.878 0.471 1
1 239 . 20 1 1 A 19 19 ALA CB C 19 19.039 18.415 0.624 1
1 240 . 20 1 1 A 19 19 ALA N N 19 120.778 121.759 -0.981 1
1 241 . 20 1 1 A 20 20 GLY H H 20 8.527 8.086 0.441 1
1 242 . 20 1 1 A 20 20 GLY HA2 H 20 3.101 3.020 0.081 1
1 243 . 20 1 1 A 20 20 GLY HA3 H 20 3.303 3.264 0.039 1
1 244 . 20 1 1 A 20 20 GLY C C 20 177.818 175.530 2.288 1
1 245 . 20 1 1 A 20 20 GLY CA C 20 47.102 46.844 0.258 1
1 246 . 20 1 1 A 20 20 GLY N N 20 107.003 106.246 0.757 1
1 247 . 20 1 1 A 21 21 LEU H H 21 8.310 7.384 0.926 1
1 248 . 20 1 1 A 21 21 LEU HA H 21 3.696 4.232 -0.536 1
1 258 . 20 1 1 A 21 21 LEU C C 21 178.603 178.035 0.568 1
1 259 . 20 1 1 A 21 21 LEU CA C 21 57.417 56.100 1.317 1
1 260 . 20 1 1 A 21 21 LEU CB C 21 41.798 42.534 -0.736 1
1 264 . 20 1 1 A 21 21 LEU N N 21 124.762 119.061 5.701 1
1 265 . 20 1 1 A 22 22 ASN H H 22 7.628 8.517 -0.889 1
1 266 . 20 1 1 A 22 22 ASN HA H 22 4.701 4.778 -0.077 1
1 271 . 20 1 1 A 22 22 ASN C C 22 175.456 177.600 -2.144 1
1 272 . 20 1 1 A 22 22 ASN CA C 22 53.292 54.620 -1.328 1
1 273 . 20 1 1 A 22 22 ASN CB C 22 39.188 39.128 0.060 1
1 274 . 20 1 1 A 22 22 ASN N N 22 114.867 117.764 -2.897 1
1 276 . 20 1 1 A 23 23 GLY H H 23 7.586 7.731 -0.145 1
1 277 . 20 1 1 A 23 23 GLY HA2 H 23 3.810 3.993 -0.183 1
1 278 . 20 1 1 A 23 23 GLY HA3 H 23 4.102 4.069 0.033 1
1 279 . 20 1 1 A 23 23 GLY C C 23 175.226 174.712 0.514 1
1 280 . 20 1 1 A 23 23 GLY CA C 23 46.302 46.024 0.278 1
1 281 . 20 1 1 A 23 23 GLY N N 23 106.650 107.569 -0.919 1
1 282 . 20 1 1 A 24 24 ARG H H 24 8.156 7.976 0.180 1
1 283 . 20 1 1 A 24 24 ARG HA H 24 4.508 3.964 0.544 1
1 290 . 20 1 1 A 24 24 ARG C C 24 177.405 175.435 1.970 1
1 291 . 20 1 1 A 24 24 ARG CA C 24 55.103 58.990 -3.887 1
1 292 . 20 1 1 A 24 24 ARG CB C 24 30.537 28.707 1.830 1
1 295 . 20 1 1 A 24 24 ARG N N 24 118.161 116.135 2.026 1
1 296 . 20 1 1 A 25 25 SER H H 25 9.015 8.689 0.326 1
1 297 . 20 1 1 A 25 25 SER HA H 25 4.804 5.123 -0.319 1
1 300 . 20 1 1 A 25 25 SER C C 25 175.005 174.293 0.712 1
1 301 . 20 1 1 A 25 25 SER CA C 25 57.752 57.181 0.571 1
1 302 . 20 1 1 A 25 25 SER CB C 25 64.687 65.712 -1.025 1
1 303 . 20 1 1 A 25 25 SER N N 25 119.720 113.964 5.756 1
1 304 . 20 1 1 A 26 26 GLN H H 26 8.662 8.760 -0.098 1
1 305 . 20 1 1 A 26 26 GLN HA H 26 3.162 4.247 -1.085 1
1 312 . 20 1 1 A 26 26 GLN C C 26 177.736 177.773 -0.037 1
1 313 . 20 1 1 A 26 26 GLN CA C 26 58.643 57.825 0.818 1
1 314 . 20 1 1 A 26 26 GLN CB C 26 27.352 28.233 -0.881 1
1 316 . 20 1 1 A 26 26 GLN N N 26 120.247 124.393 -4.146 1
1 318 . 20 1 1 A 27 27 GLU H H 27 8.244 7.998 0.246 1
1 319 . 20 1 1 A 27 27 GLU HA H 27 3.886 3.999 -0.113 1
1 324 . 20 1 1 A 27 27 GLU C C 27 176.177 177.804 -1.627 1
1 325 . 20 1 1 A 27 27 GLU CA C 27 57.807 58.788 -0.981 1
1 326 . 20 1 1 A 27 27 GLU CB C 27 28.583 29.526 -0.943 1
1 328 . 20 1 1 A 27 27 GLU N N 27 117.869 120.411 -2.542 1
1 329 . 20 1 1 A 28 28 ALA H H 28 7.451 7.252 0.199 1
1 330 . 20 1 1 A 28 28 ALA HA H 28 4.070 4.312 -0.242 1
1 334 . 20 1 1 A 28 28 ALA C C 28 176.063 176.549 -0.486 1
1 335 . 20 1 1 A 28 28 ALA CA C 28 51.945 52.179 -0.234 1
1 336 . 20 1 1 A 28 28 ALA CB C 28 18.113 18.753 -0.640 1
1 337 . 20 1 1 A 28 28 ALA N N 28 120.356 118.853 1.503 1
1 338 . 20 1 1 A 29 29 CYS H H 29 6.591 7.202 -0.611 1
1 339 . 20 1 1 A 29 29 CYS HA H 29 1.828 3.675 -1.847 1
1 342 . 20 1 1 A 29 29 CYS CA C 29 56.231 55.032 1.199 1
1 343 . 20 1 1 A 29 29 CYS CB C 29 27.778 27.251 0.527 1
1 344 . 20 1 1 A 29 29 CYS N N 29 121.588 119.185 2.403 1
1 345 . 20 1 1 A 30 30 PRO HA H 30 4.323 4.290 0.033 1
1 352 . 20 1 1 A 30 30 PRO C C 30 175.515 176.425 -0.910 1
1 353 . 20 1 1 A 30 30 PRO CA C 30 63.382 63.349 0.033 1
1 354 . 20 1 1 A 30 30 PRO CB C 30 31.551 32.478 -0.927 1
1 357 . 20 1 1 A 31 31 TYR H H 31 6.804 8.157 -1.353 1
1 358 . 20 1 1 A 31 31 TYR HA H 31 4.582 4.275 0.307 1
1 365 . 20 1 1 A 31 31 TYR C C 31 174.785 176.122 -1.337 1
1 366 . 20 1 1 A 31 31 TYR CA C 31 58.348 60.640 -2.292 1
1 367 . 20 1 1 A 31 31 TYR CB C 31 41.030 38.804 2.226 1
1 372 . 20 1 1 A 31 31 TYR N N 31 118.903 118.640 0.263 1
1 373 . 20 1 1 A 32 32 GLN H H 32 8.763 7.534 1.229 1
1 374 . 20 1 1 A 32 32 GLN HA H 32 4.344 4.713 -0.369 1
1 381 . 20 1 1 A 32 32 GLN C C 32 176.528 174.805 1.723 1
1 382 . 20 1 1 A 32 32 GLN CA C 32 55.996 55.018 0.978 1
1 383 . 20 1 1 A 32 32 GLN CB C 32 30.182 31.949 -1.767 1
1 385 . 20 1 1 A 32 32 GLN N N 32 120.327 115.667 4.660 1
1 387 . 20 1 1 A 33 33 GLN H H 33 8.230 8.702 -0.472 1
1 388 . 20 1 1 A 33 33 GLN HA H 33 4.262 4.400 -0.138 1
1 395 . 20 1 1 A 33 33 GLN C C 33 177.216 178.020 -0.804 1
1 396 . 20 1 1 A 33 33 GLN CA C 33 56.931 57.311 -0.380 1
1 397 . 20 1 1 A 33 33 GLN CB C 33 28.699 29.937 -1.238 1
1 399 . 20 1 1 A 33 33 GLN N N 33 121.712 121.955 -0.243 1
1 401 . 20 1 1 A 34 34 VAL H H 34 8.484 8.032 0.452 1
1 402 . 20 1 1 A 34 34 VAL HA H 34 3.551 3.545 0.006 1
1 410 . 20 1 1 A 34 34 VAL C C 34 177.685 177.932 -0.247 1
1 411 . 20 1 1 A 34 34 VAL CA C 34 66.570 66.097 0.473 1
1 412 . 20 1 1 A 34 34 VAL CB C 34 31.946 31.691 0.255 1
1 415 . 20 1 1 A 34 34 VAL N N 34 122.145 119.216 2.929 1
1 416 . 20 1 1 A 35 35 ASP H H 35 8.324 8.365 -0.041 1
1 417 . 20 1 1 A 35 35 ASP HA H 35 4.434 4.470 -0.036 1
1 420 . 20 1 1 A 35 35 ASP C C 35 177.892 178.673 -0.781 1
1 421 . 20 1 1 A 35 35 ASP CA C 35 56.826 57.367 -0.541 1
1 422 . 20 1 1 A 35 35 ASP CB C 35 38.807 40.044 -1.237 1
1 423 . 20 1 1 A 35 35 ASP N N 35 120.937 119.575 1.362 1
1 424 . 20 1 1 A 36 36 ALA H H 36 8.431 8.192 0.239 1
1 425 . 20 1 1 A 36 36 ALA HA H 36 3.598 4.267 -0.669 1
1 429 . 20 1 1 A 36 36 ALA C C 36 178.949 179.785 -0.836 1
1 430 . 20 1 1 A 36 36 ALA CA C 36 55.327 54.969 0.358 1
1 431 . 20 1 1 A 36 36 ALA CB C 36 17.371 18.230 -0.859 1
1 432 . 20 1 1 A 36 36 ALA N N 36 126.210 123.055 3.155 1
1 433 . 20 1 1 A 37 37 ARG H H 37 8.458 8.011 0.447 1
1 434 . 20 1 1 A 37 37 ARG HA H 37 3.857 4.165 -0.308 1
1 442 . 20 1 1 A 37 37 ARG C C 37 177.746 178.883 -1.137 1
1 443 . 20 1 1 A 37 37 ARG CA C 37 60.636 59.631 1.005 1
1 444 . 20 1 1 A 37 37 ARG CB C 37 29.931 29.901 0.030 1
1 447 . 20 1 1 A 37 37 ARG N N 37 116.717 120.001 -3.284 1
1 449 . 20 1 1 A 38 38 SER H H 38 8.173 7.855 0.318 1
1 450 . 20 1 1 A 38 38 SER HA H 38 4.130 4.237 -0.107 1
1 451 . 20 1 1 A 38 38 SER C C 38 178.293 175.836 2.457 1
1 452 . 20 1 1 A 38 38 SER CA C 38 62.627 62.331 0.296 1
1 453 . 20 1 1 A 38 38 SER N N 38 114.110 116.512 -2.402 1
1 454 . 20 1 1 A 39 39 TYR H H 39 8.343 7.399 0.944 1
1 455 . 20 1 1 A 39 39 TYR HA H 39 4.213 4.478 -0.265 1
1 462 . 20 1 1 A 39 39 TYR C C 39 178.701 178.876 -0.175 1
1 463 . 20 1 1 A 39 39 TYR CA C 39 62.466 60.346 2.120 1
1 464 . 20 1 1 A 39 39 TYR CB C 39 38.687 38.971 -0.284 1
1 469 . 20 1 1 A 39 39 TYR N N 39 123.318 119.558 3.760 1
1 470 . 20 1 1 A 40 40 TRP H H 40 8.818 8.598 0.220 1
1 471 . 20 1 1 A 40 40 TRP HA H 40 4.586 4.707 -0.121 1
1 480 . 20 1 1 A 40 40 TRP C C 40 179.359 178.013 1.346 1
1 481 . 20 1 1 A 40 40 TRP CA C 40 61.953 60.408 1.545 1
1 482 . 20 1 1 A 40 40 TRP CB C 40 31.349 29.969 1.380 1
1 488 . 20 1 1 A 40 40 TRP N N 40 123.286 121.615 1.671 1
1 490 . 20 1 1 A 41 41 LEU H H 41 9.368 8.248 1.120 1
1 491 . 20 1 1 A 41 41 LEU HA H 41 4.405 4.245 0.160 1
1 501 . 20 1 1 A 41 41 LEU C C 41 179.498 178.923 0.575 1
1 502 . 20 1 1 A 41 41 LEU CA C 41 58.206 57.633 0.573 1
1 503 . 20 1 1 A 41 41 LEU CB C 41 41.754 42.010 -0.256 1
1 507 . 20 1 1 A 41 41 LEU N N 41 119.265 121.031 -1.766 1
1 508 . 20 1 1 A 42 42 GLY H H 42 8.283 8.294 -0.011 1
1 509 . 20 1 1 A 42 42 GLY HA2 H 42 3.857 3.763 0.094 1
1 510 . 20 1 1 A 42 42 GLY HA3 H 42 3.929 3.790 0.139 1
1 511 . 20 1 1 A 42 42 GLY C C 42 176.508 176.676 -0.168 1
1 512 . 20 1 1 A 42 42 GLY CA C 42 47.412 47.560 -0.148 1
1 513 . 20 1 1 A 42 42 GLY N N 42 108.413 107.174 1.239 1
1 514 . 20 1 1 A 43 43 GLY H H 43 8.181 8.180 0.001 1
1 515 . 20 1 1 A 43 43 GLY HA2 H 43 4.124 3.792 0.332 1
1 516 . 20 1 1 A 43 43 GLY HA3 H 43 4.258 3.833 0.425 1
1 517 . 20 1 1 A 43 43 GLY C C 43 174.891 175.620 -0.729 1
1 518 . 20 1 1 A 43 43 GLY CA C 43 47.341 46.967 0.374 1
1 519 . 20 1 1 A 43 43 GLY N N 43 109.904 108.748 1.156 1
1 520 . 20 1 1 A 44 44 TRP H H 44 8.460 8.102 0.358 1
1 521 . 20 1 1 A 44 44 TRP HA H 44 3.578 4.312 -0.734 1
1 530 . 20 1 1 A 44 44 TRP C C 44 178.547 178.156 0.391 1
1 531 . 20 1 1 A 44 44 TRP CA C 44 62.646 59.968 2.678 1
1 532 . 20 1 1 A 44 44 TRP CB C 44 29.467 29.497 -0.030 1
1 538 . 20 1 1 A 44 44 TRP N N 44 124.152 124.187 -0.035 1
1 540 . 20 1 1 A 45 45 ARG H H 45 8.759 8.696 0.063 1
1 541 . 20 1 1 A 45 45 ARG HA H 45 3.669 3.774 -0.105 1
1 549 . 20 1 1 A 45 45 ARG C C 45 178.784 178.364 0.420 1
1 550 . 20 1 1 A 45 45 ARG CA C 45 59.785 59.216 0.569 1
1 551 . 20 1 1 A 45 45 ARG CB C 45 30.295 29.811 0.484 1
1 554 . 20 1 1 A 45 45 ARG N N 45 118.655 118.153 0.502 1
1 556 . 20 1 1 A 46 46 ASP H H 46 8.084 8.128 -0.044 1
1 557 . 20 1 1 A 46 46 ASP HA H 46 4.362 4.306 0.056 1
1 560 . 20 1 1 A 46 46 ASP C C 46 178.818 178.314 0.504 1
1 561 . 20 1 1 A 46 46 ASP CA C 46 57.518 57.428 0.090 1
1 562 . 20 1 1 A 46 46 ASP CB C 46 39.752 41.608 -1.856 1
1 563 . 20 1 1 A 46 46 ASP N N 46 120.646 119.334 1.312 1
1 564 . 20 1 1 A 47 47 ALA H H 47 7.873 7.652 0.221 1
1 565 . 20 1 1 A 47 47 ALA HA H 47 3.627 3.846 -0.219 1
1 569 . 20 1 1 A 47 47 ALA C C 47 179.397 178.971 0.426 1
1 570 . 20 1 1 A 47 47 ALA CA C 47 54.962 54.815 0.147 1
1 571 . 20 1 1 A 47 47 ALA CB C 47 18.940 17.411 1.529 1
1 572 . 20 1 1 A 47 47 ALA N N 47 122.126 120.725 1.401 1
1 573 . 20 1 1 A 48 48 ARG H H 48 7.587 7.701 -0.114 1
1 574 . 20 1 1 A 48 48 ARG HA H 48 3.538 3.711 -0.173 1
1 582 . 20 1 1 A 48 48 ARG C C 48 178.647 178.567 0.080 1
1 583 . 20 1 1 A 48 48 ARG CA C 48 57.880 59.158 -1.278 1
1 584 . 20 1 1 A 48 48 ARG CB C 48 28.753 29.405 -0.652 1
1 587 . 20 1 1 A 48 48 ARG N N 48 117.721 118.187 -0.466 1
1 589 . 20 1 1 A 49 49 ASP H H 49 8.249 8.551 -0.302 1
1 590 . 20 1 1 A 49 49 ASP HA H 49 4.383 4.425 -0.042 1
1 593 . 20 1 1 A 49 49 ASP C C 49 178.360 178.898 -0.538 1
1 594 . 20 1 1 A 49 49 ASP CA C 49 56.330 56.800 -0.470 1
1 595 . 20 1 1 A 49 49 ASP CB C 49 40.401 40.176 0.225 1
1 596 . 20 1 1 A 49 49 ASP N N 49 119.997 119.923 0.074 1
1 597 . 20 1 1 A 50 50 GLU H H 50 8.060 7.618 0.442 1
1 598 . 20 1 1 A 50 50 GLU HA H 50 4.007 4.066 -0.059 1
1 603 . 20 1 1 A 50 50 GLU C C 50 178.675 178.319 0.356 1
1 604 . 20 1 1 A 50 50 GLU CA C 50 58.740 58.703 0.037 1
1 605 . 20 1 1 A 50 50 GLU CB C 50 29.585 29.449 0.136 1
1 607 . 20 1 1 A 50 50 GLU N N 50 121.823 119.887 1.936 1
1 608 . 20 1 1 A 51 51 LYS H H 51 8.089 7.594 0.495 1
1 609 . 20 1 1 A 51 51 LYS HA H 51 4.057 4.249 -0.192 1
1 618 . 20 1 1 A 51 51 LYS C C 51 178.241 178.521 -0.280 1
1 619 . 20 1 1 A 51 51 LYS CA C 51 57.727 56.598 1.129 1
1 620 . 20 1 1 A 51 51 LYS CB C 51 32.090 32.652 -0.562 1
1 624 . 20 1 1 A 51 51 LYS N N 51 119.415 118.691 0.724 1
1 625 . 20 1 1 A 52 52 GLN H H 52 8.043 7.507 0.536 1
1 626 . 20 1 1 A 52 52 GLN HA H 52 4.189 4.055 0.134 1
1 633 . 20 1 1 A 52 52 GLN C C 52 176.965 178.176 -1.211 1
1 634 . 20 1 1 A 52 52 GLN CA C 52 56.977 58.361 -1.384 1
1 635 . 20 1 1 A 52 52 GLN CB C 52 28.858 28.781 0.077 1
1 637 . 20 1 1 A 52 52 GLN N N 52 118.262 120.289 -2.027 1
1 639 . 20 1 1 A 53 53 SER H H 53 8.088 8.420 -0.332 1
1 640 . 20 1 1 A 53 53 SER HA H 53 4.339 4.242 0.097 1
1 643 . 20 1 1 A 53 53 SER C C 53 175.679 177.114 -1.435 1
1 644 . 20 1 1 A 53 53 SER CA C 53 59.492 60.751 -1.259 1
1 645 . 20 1 1 A 53 53 SER CB C 53 63.849 62.724 1.125 1
1 646 . 20 1 1 A 53 53 SER N N 53 114.966 114.620 0.346 1
1 647 . 20 1 1 A 54 54 GLY H H 54 8.228 8.071 0.157 1
1 648 . 20 1 1 A 54 54 GLY HA2 H 54 3.939 3.795 0.144 1
1 649 . 20 1 1 A 54 54 GLY HA3 H 54 3.867 3.801 0.066 1
1 650 . 20 1 1 A 54 54 GLY C C 54 174.591 174.459 0.132 1
1 651 . 20 1 1 A 54 54 GLY CA C 54 45.776 46.813 -1.037 1
1 652 . 20 1 1 A 54 54 GLY N N 54 110.315 109.294 1.021 1
1 653 . 20 1 1 A 55 55 LEU H H 55 7.846 8.030 -0.184 1
1 654 . 20 1 1 A 55 55 LEU HA H 55 4.174 4.059 0.115 1
1 664 . 20 1 1 A 55 55 LEU C C 55 177.315 176.272 1.043 1
1 665 . 20 1 1 A 55 55 LEU CA C 55 55.716 56.491 -0.775 1
1 666 . 20 1 1 A 55 55 LEU CB C 55 42.103 39.976 2.127 1
1 670 . 20 1 1 A 55 55 LEU N N 55 121.456 116.120 5.336 1
1 671 . 20 1 1 A 56 56 TYR H H 56 7.960 8.596 -0.636 1
1 672 . 20 1 1 A 56 56 TYR HA H 56 4.450 4.222 0.228 1
1 679 . 20 1 1 A 56 56 TYR C C 56 176.206 175.338 0.868 1
1 680 . 20 1 1 A 56 56 TYR CA C 56 58.242 59.212 -0.970 1
1 681 . 20 1 1 A 56 56 TYR CB C 56 38.478 38.135 0.343 1
1 686 . 20 1 1 A 56 56 TYR N N 56 119.665 117.456 2.209 1
1 687 . 20 1 1 A 57 57 LYS H H 57 8.015 7.516 0.499 1
1 688 . 20 1 1 A 57 57 LYS HA H 57 4.154 4.319 -0.165 1
1 697 . 20 1 1 A 57 57 LYS C C 57 176.553 175.843 0.710 1
1 698 . 20 1 1 A 57 57 LYS CA C 57 56.656 55.674 0.982 1
1 699 . 20 1 1 A 57 57 LYS CB C 57 32.870 32.872 -0.002 1
1 703 . 20 1 1 A 57 57 LYS N N 57 122.012 121.291 0.721 1
1 704 . 20 1 1 A 58 58 LEU H H 58 8.035 7.301 0.734 1
1 705 . 20 1 1 A 58 58 LEU HA H 58 4.185 4.376 -0.191 1
1 715 . 20 1 1 A 58 58 LEU C C 58 177.527 176.536 0.991 1
1 716 . 20 1 1 A 58 58 LEU CA C 58 55.574 54.086 1.488 1
1 717 . 20 1 1 A 58 58 LEU CB C 58 42.175 43.344 -1.169 1
1 721 . 20 1 1 A 58 58 LEU N N 58 122.265 119.457 2.808 1
1 722 . 20 1 1 A 59 59 GLU H H 59 8.253 8.782 -0.529 1
1 723 . 20 1 1 A 59 59 GLU HA H 59 4.123 4.114 0.009 1
1 728 . 20 1 1 A 59 59 GLU C C 59 176.231 177.232 -1.001 1
1 729 . 20 1 1 A 59 59 GLU CA C 59 56.658 57.139 -0.481 1
1 730 . 20 1 1 A 59 59 GLU CB C 59 30.246 29.366 0.880 1
1 732 . 20 1 1 A 59 59 GLU N N 59 120.313 121.057 -0.744 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 57 0.999 1
2 1 1 1 "RMS(OBS, PRED)" CA 58 1.204 1
3 1 1 1 "RMS(OBS, PRED)" CB 51 1.065 1
4 1 1 1 "RMS(OBS, PRED)" H 57 0.492 1
5 1 1 1 "RMS(OBS, PRED)" HA 64 0.408 1
6 1 1 1 "RMS(OBS, PRED)" N 57 2.482 1
7 1 2 1 "RMS(OBS, PRED)" C 57 1.077 1
8 1 2 1 "RMS(OBS, PRED)" CA 58 1.112 1
9 1 2 1 "RMS(OBS, PRED)" CB 51 1.146 1
10 1 2 1 "RMS(OBS, PRED)" H 57 0.477 1
11 1 2 1 "RMS(OBS, PRED)" HA 64 0.376 1
12 1 2 1 "RMS(OBS, PRED)" N 57 3.010 1
13 1 3 1 "RMS(OBS, PRED)" C 57 1.101 1
14 1 3 1 "RMS(OBS, PRED)" CA 58 1.278 1
15 1 3 1 "RMS(OBS, PRED)" CB 51 0.932 1
16 1 3 1 "RMS(OBS, PRED)" H 57 0.526 1
17 1 3 1 "RMS(OBS, PRED)" HA 64 0.406 1
18 1 3 1 "RMS(OBS, PRED)" N 57 2.336 1
19 1 4 1 "RMS(OBS, PRED)" C 57 1.146 1
20 1 4 1 "RMS(OBS, PRED)" CA 58 1.262 1
21 1 4 1 "RMS(OBS, PRED)" CB 51 1.061 1
22 1 4 1 "RMS(OBS, PRED)" H 57 0.513 1
23 1 4 1 "RMS(OBS, PRED)" HA 64 0.435 1
24 1 4 1 "RMS(OBS, PRED)" N 57 2.495 1
25 1 5 1 "RMS(OBS, PRED)" C 57 0.990 1
26 1 5 1 "RMS(OBS, PRED)" CA 58 1.097 1
27 1 5 1 "RMS(OBS, PRED)" CB 51 1.052 1
28 1 5 1 "RMS(OBS, PRED)" H 57 0.483 1
29 1 5 1 "RMS(OBS, PRED)" HA 64 0.391 1
30 1 5 1 "RMS(OBS, PRED)" N 57 2.339 1
31 1 6 1 "RMS(OBS, PRED)" C 57 0.948 1
32 1 6 1 "RMS(OBS, PRED)" CA 58 1.148 1
33 1 6 1 "RMS(OBS, PRED)" CB 51 1.037 1
34 1 6 1 "RMS(OBS, PRED)" H 57 0.476 1
35 1 6 1 "RMS(OBS, PRED)" HA 64 0.442 1
36 1 6 1 "RMS(OBS, PRED)" N 57 2.488 1
37 1 7 1 "RMS(OBS, PRED)" C 57 1.014 1
38 1 7 1 "RMS(OBS, PRED)" CA 58 1.165 1
39 1 7 1 "RMS(OBS, PRED)" CB 51 1.026 1
40 1 7 1 "RMS(OBS, PRED)" H 57 0.451 1
41 1 7 1 "RMS(OBS, PRED)" HA 64 0.404 1
42 1 7 1 "RMS(OBS, PRED)" N 57 2.269 1
43 1 8 1 "RMS(OBS, PRED)" C 57 1.109 1
44 1 8 1 "RMS(OBS, PRED)" CA 58 1.168 1
45 1 8 1 "RMS(OBS, PRED)" CB 51 1.004 1
46 1 8 1 "RMS(OBS, PRED)" H 57 0.465 1
47 1 8 1 "RMS(OBS, PRED)" HA 64 0.368 1
48 1 8 1 "RMS(OBS, PRED)" N 57 2.628 1
49 1 9 1 "RMS(OBS, PRED)" C 57 1.009 1
50 1 9 1 "RMS(OBS, PRED)" CA 58 1.239 1
51 1 9 1 "RMS(OBS, PRED)" CB 51 1.094 1
52 1 9 1 "RMS(OBS, PRED)" H 57 0.480 1
53 1 9 1 "RMS(OBS, PRED)" HA 64 0.433 1
54 1 9 1 "RMS(OBS, PRED)" N 57 2.590 1
55 1 10 1 "RMS(OBS, PRED)" C 57 1.001 1
56 1 10 1 "RMS(OBS, PRED)" CA 58 1.167 1
57 1 10 1 "RMS(OBS, PRED)" CB 51 1.221 1
58 1 10 1 "RMS(OBS, PRED)" H 57 0.473 1
59 1 10 1 "RMS(OBS, PRED)" HA 64 0.403 1
60 1 10 1 "RMS(OBS, PRED)" N 57 2.662 1
61 1 11 1 "RMS(OBS, PRED)" C 57 1.022 1
62 1 11 1 "RMS(OBS, PRED)" CA 58 1.172 1
63 1 11 1 "RMS(OBS, PRED)" CB 51 1.118 1
64 1 11 1 "RMS(OBS, PRED)" H 57 0.411 1
65 1 11 1 "RMS(OBS, PRED)" HA 64 0.376 1
66 1 11 1 "RMS(OBS, PRED)" N 57 2.477 1
67 1 12 1 "RMS(OBS, PRED)" C 57 0.995 1
68 1 12 1 "RMS(OBS, PRED)" CA 58 1.189 1
69 1 12 1 "RMS(OBS, PRED)" CB 51 1.067 1
70 1 12 1 "RMS(OBS, PRED)" H 57 0.440 1
71 1 12 1 "RMS(OBS, PRED)" HA 64 0.406 1
72 1 12 1 "RMS(OBS, PRED)" N 57 2.231 1
73 1 13 1 "RMS(OBS, PRED)" C 57 1.126 1
74 1 13 1 "RMS(OBS, PRED)" CA 58 1.144 1
75 1 13 1 "RMS(OBS, PRED)" CB 51 0.972 1
76 1 13 1 "RMS(OBS, PRED)" H 57 0.514 1
77 1 13 1 "RMS(OBS, PRED)" HA 64 0.434 1
78 1 13 1 "RMS(OBS, PRED)" N 57 2.442 1
79 1 14 1 "RMS(OBS, PRED)" C 57 1.164 1
80 1 14 1 "RMS(OBS, PRED)" CA 58 1.344 1
81 1 14 1 "RMS(OBS, PRED)" CB 51 1.040 1
82 1 14 1 "RMS(OBS, PRED)" H 57 0.552 1
83 1 14 1 "RMS(OBS, PRED)" HA 64 0.399 1
84 1 14 1 "RMS(OBS, PRED)" N 57 2.274 1
85 1 15 1 "RMS(OBS, PRED)" C 57 1.032 1
86 1 15 1 "RMS(OBS, PRED)" CA 58 1.211 1
87 1 15 1 "RMS(OBS, PRED)" CB 51 1.082 1
88 1 15 1 "RMS(OBS, PRED)" H 57 0.516 1
89 1 15 1 "RMS(OBS, PRED)" HA 64 0.423 1
90 1 15 1 "RMS(OBS, PRED)" N 57 2.398 1
91 1 16 1 "RMS(OBS, PRED)" C 57 1.048 1
92 1 16 1 "RMS(OBS, PRED)" CA 58 1.274 1
93 1 16 1 "RMS(OBS, PRED)" CB 51 0.987 1
94 1 16 1 "RMS(OBS, PRED)" H 57 0.461 1
95 1 16 1 "RMS(OBS, PRED)" HA 64 0.384 1
96 1 16 1 "RMS(OBS, PRED)" N 57 2.479 1
97 1 17 1 "RMS(OBS, PRED)" C 57 1.074 1
98 1 17 1 "RMS(OBS, PRED)" CA 58 1.163 1
99 1 17 1 "RMS(OBS, PRED)" CB 51 1.133 1
100 1 17 1 "RMS(OBS, PRED)" H 57 0.512 1
101 1 17 1 "RMS(OBS, PRED)" HA 64 0.401 1
102 1 17 1 "RMS(OBS, PRED)" N 57 2.540 1
103 1 18 1 "RMS(OBS, PRED)" C 57 1.037 1
104 1 18 1 "RMS(OBS, PRED)" CA 58 1.145 1
105 1 18 1 "RMS(OBS, PRED)" CB 51 0.935 1
106 1 18 1 "RMS(OBS, PRED)" H 57 0.538 1
107 1 18 1 "RMS(OBS, PRED)" HA 64 0.417 1
108 1 18 1 "RMS(OBS, PRED)" N 57 2.377 1
109 1 19 1 "RMS(OBS, PRED)" C 57 1.063 1
110 1 19 1 "RMS(OBS, PRED)" CA 58 1.143 1
111 1 19 1 "RMS(OBS, PRED)" CB 51 0.947 1
112 1 19 1 "RMS(OBS, PRED)" H 57 0.436 1
113 1 19 1 "RMS(OBS, PRED)" HA 64 0.424 1
114 1 19 1 "RMS(OBS, PRED)" N 57 2.432 1
115 1 20 1 "RMS(OBS, PRED)" C 57 0.999 1
116 1 20 1 "RMS(OBS, PRED)" CA 58 1.131 1
117 1 20 1 "RMS(OBS, PRED)" CB 51 0.995 1
118 1 20 1 "RMS(OBS, PRED)" H 57 0.515 1
119 1 20 1 "RMS(OBS, PRED)" HA 64 0.398 1
120 1 20 1 "RMS(OBS, PRED)" N 57 2.439 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 7 . 1 1 A 2 2 LYS H H 2 8.138 8.419 -0.281 2
1 8 . 1 1 A 2 2 LYS HA H 2 4.325 4.361 -0.036 2
1 17 . 1 1 A 2 2 LYS C C 2 176.460 176.620 -0.160 2
1 18 . 1 1 A 2 2 LYS CA C 2 56.632 56.745 -0.113 2
1 19 . 1 1 A 2 2 LYS CB C 2 33.087 32.838 0.249 2
1 23 . 1 1 A 2 2 LYS N N 2 125.275 121.627 3.648 2
1 24 . 1 1 A 3 3 ARG H H 3 8.624 8.344 0.280 2
1 25 . 1 1 A 3 3 ARG HA H 3 4.220 4.335 -0.115 2
1 32 . 1 1 A 3 3 ARG C C 3 176.426 176.244 0.182 2
1 33 . 1 1 A 3 3 ARG CA C 3 56.705 56.414 0.291 2
1 34 . 1 1 A 3 3 ARG CB C 3 30.577 30.030 0.547 2
1 37 . 1 1 A 3 3 ARG N N 3 123.963 120.650 3.313 2
1 38 . 1 1 A 4 4 GLN H H 4 8.613 7.961 0.652 2
1 39 . 1 1 A 4 4 GLN HA H 4 4.221 4.535 -0.314 2
1 46 . 1 1 A 4 4 GLN C C 4 176.604 176.862 -0.258 2
1 47 . 1 1 A 4 4 GLN CA C 4 56.626 56.227 0.399 2
1 48 . 1 1 A 4 4 GLN CB C 4 29.536 28.725 0.811 2
1 50 . 1 1 A 4 4 GLN N N 4 121.223 119.202 2.021 2
1 52 . 1 1 A 5 5 LYS H H 5 8.180 8.215 -0.035 2
1 53 . 1 1 A 5 5 LYS HA H 5 4.161 4.048 0.113 2
1 62 . 1 1 A 5 5 LYS C C 5 176.971 178.734 -1.763 2
1 63 . 1 1 A 5 5 LYS CA C 5 57.367 59.215 -1.848 2
1 64 . 1 1 A 5 5 LYS CB C 5 32.873 32.272 0.601 2
1 68 . 1 1 A 5 5 LYS N N 5 122.464 121.184 1.280 2
1 69 . 1 1 A 6 6 ARG H H 6 8.345 7.869 0.476 2
1 70 . 1 1 A 6 6 ARG HA H 6 4.119 3.883 0.236 2
1 77 . 1 1 A 6 6 ARG C C 6 176.908 178.067 -1.159 2
1 78 . 1 1 A 6 6 ARG CA C 6 57.246 58.772 -1.526 2
1 79 . 1 1 A 6 6 ARG CB C 6 30.166 29.778 0.388 2
1 82 . 1 1 A 6 6 ARG N N 6 121.458 119.802 1.656 2
1 83 . 1 1 A 7 7 ASP H H 7 8.422 8.258 0.164 2
1 84 . 1 1 A 7 7 ASP HA H 7 4.414 4.260 0.154 2
1 87 . 1 1 A 7 7 ASP C C 7 177.562 178.408 -0.846 2
1 88 . 1 1 A 7 7 ASP CA C 7 55.809 57.284 -1.475 2
1 89 . 1 1 A 7 7 ASP CB C 7 41.064 41.096 -0.032 2
1 90 . 1 1 A 7 7 ASP N N 7 120.954 119.522 1.432 2
1 91 . 1 1 A 8 8 ARG H H 8 8.061 7.924 0.137 2
1 92 . 1 1 A 8 8 ARG HA H 8 3.971 4.061 -0.090 2
1 99 . 1 1 A 8 8 ARG C C 8 178.412 177.989 0.423 2
1 100 . 1 1 A 8 8 ARG CA C 8 59.160 58.457 0.703 2
1 101 . 1 1 A 8 8 ARG CB C 8 30.192 29.619 0.573 2
1 104 . 1 1 A 8 8 ARG N N 8 119.853 118.358 1.495 2
1 105 . 1 1 A 9 9 LEU H H 9 7.801 7.652 0.149 2
1 106 . 1 1 A 9 9 LEU HA H 9 3.727 3.954 -0.227 2
1 116 . 1 1 A 9 9 LEU C C 9 178.182 178.665 -0.483 2
1 117 . 1 1 A 9 9 LEU CA C 9 57.192 56.676 0.516 2
1 118 . 1 1 A 9 9 LEU CB C 9 38.370 41.175 -2.805 2
1 122 . 1 1 A 9 9 LEU N N 9 121.052 120.268 0.784 2
1 123 . 1 1 A 10 10 GLU H H 10 8.172 8.514 -0.342 2
1 124 . 1 1 A 10 10 GLU HA H 10 4.014 4.011 0.003 2
1 129 . 1 1 A 10 10 GLU C C 10 180.022 178.712 1.310 2
1 130 . 1 1 A 10 10 GLU CA C 10 59.504 59.235 0.269 2
1 131 . 1 1 A 10 10 GLU CB C 10 29.451 29.173 0.278 2
1 133 . 1 1 A 10 10 GLU N N 10 120.463 119.835 0.628 2
1 134 . 1 1 A 11 11 ARG H H 11 8.202 7.661 0.541 2
1 135 . 1 1 A 11 11 ARG HA H 11 4.117 4.062 0.055 2
1 142 . 1 1 A 11 11 ARG C C 11 178.321 178.783 -0.462 2
1 143 . 1 1 A 11 11 ARG CA C 11 59.328 58.760 0.568 2
1 144 . 1 1 A 11 11 ARG CB C 11 29.798 29.857 -0.059 2
1 147 . 1 1 A 11 11 ARG N N 11 119.987 119.659 0.328 2
1 148 . 1 1 A 12 12 ALA H H 12 7.661 8.019 -0.358 2
1 149 . 1 1 A 12 12 ALA HA H 12 4.603 3.894 0.709 2
1 153 . 1 1 A 12 12 ALA C C 12 179.757 179.635 0.122 2
1 154 . 1 1 A 12 12 ALA CA C 12 55.536 54.933 0.603 2
1 155 . 1 1 A 12 12 ALA CB C 12 18.423 18.129 0.294 2
1 156 . 1 1 A 12 12 ALA N N 12 122.208 121.962 0.246 2
1 157 . 1 1 A 13 13 GLN H H 13 8.205 8.264 -0.059 2
1 158 . 1 1 A 13 13 GLN HA H 13 4.332 4.212 0.120 2
1 165 . 1 1 A 13 13 GLN C C 13 178.128 178.227 -0.099 2
1 166 . 1 1 A 13 13 GLN CA C 13 59.565 58.589 0.976 2
1 167 . 1 1 A 13 13 GLN CB C 13 29.572 28.890 0.682 2
1 169 . 1 1 A 13 13 GLN N N 13 118.449 119.289 -0.840 2
1 171 . 1 1 A 14 14 SER H H 14 8.245 7.838 0.407 2
1 172 . 1 1 A 14 14 SER HA H 14 4.281 4.205 0.076 2
1 175 . 1 1 A 14 14 SER C C 14 177.751 176.647 1.104 2
1 176 . 1 1 A 14 14 SER CA C 14 61.583 61.477 0.106 2
1 177 . 1 1 A 14 14 SER CB C 14 62.897 62.934 -0.037 2
1 178 . 1 1 A 14 14 SER N N 14 115.275 116.005 -0.730 2
1 179 . 1 1 A 15 15 GLN H H 15 8.686 8.572 0.114 2
1 180 . 1 1 A 15 15 GLN HA H 15 4.124 4.096 0.027 2
1 187 . 1 1 A 15 15 GLN C C 15 179.621 178.455 1.166 2
1 188 . 1 1 A 15 15 GLN CA C 15 58.803 59.428 -0.625 2
1 189 . 1 1 A 15 15 GLN CB C 15 28.201 28.339 -0.138 2
1 191 . 1 1 A 15 15 GLN N N 15 121.722 121.012 0.710 2
1 193 . 1 1 A 16 16 GLY H H 16 8.439 8.615 -0.176 2
1 194 . 1 1 A 16 16 GLY HA2 H 16 1.849 2.586 -0.737 2
1 195 . 1 1 A 16 16 GLY HA3 H 16 3.742 3.023 0.719 2
1 196 . 1 1 A 16 16 GLY C C 16 175.080 175.131 -0.051 2
1 197 . 1 1 A 16 16 GLY CA C 16 45.784 46.633 -0.849 2
1 198 . 1 1 A 16 16 GLY N N 16 113.363 106.758 6.605 2
1 199 . 1 1 A 17 17 TYR H H 17 8.167 7.863 0.304 2
1 200 . 1 1 A 17 17 TYR HA H 17 4.014 4.075 -0.061 2
1 207 . 1 1 A 17 17 TYR C C 17 177.200 177.594 -0.394 2
1 208 . 1 1 A 17 17 TYR CA C 17 60.567 60.906 -0.339 2
1 209 . 1 1 A 17 17 TYR CB C 17 38.755 38.658 0.097 2
1 214 . 1 1 A 17 17 TYR N N 17 123.123 123.603 -0.480 2
1 215 . 1 1 A 18 18 LYS H H 18 8.003 7.927 0.076 2
1 216 . 1 1 A 18 18 LYS HA H 18 3.681 4.085 -0.404 2
1 225 . 1 1 A 18 18 LYS C C 18 178.838 178.701 0.137 2
1 226 . 1 1 A 18 18 LYS CA C 18 59.677 58.873 0.804 2
1 227 . 1 1 A 18 18 LYS CB C 18 32.393 32.097 0.296 2
1 231 . 1 1 A 18 18 LYS N N 18 117.920 119.483 -1.563 2
1 232 . 1 1 A 19 19 ALA H H 19 8.067 8.515 -0.448 2
1 233 . 1 1 A 19 19 ALA HA H 19 4.194 4.225 -0.031 2
1 237 . 1 1 A 19 19 ALA C C 19 180.263 179.932 0.331 2
1 238 . 1 1 A 19 19 ALA CA C 19 55.349 54.758 0.591 2
1 239 . 1 1 A 19 19 ALA CB C 19 19.039 18.624 0.415 2
1 240 . 1 1 A 19 19 ALA N N 19 120.778 121.705 -0.927 2
1 241 . 1 1 A 20 20 GLY H H 20 8.527 8.129 0.398 2
1 242 . 1 1 A 20 20 GLY HA2 H 20 3.101 3.176 -0.075 2
1 243 . 1 1 A 20 20 GLY HA3 H 20 3.303 3.312 -0.009 2
1 244 . 1 1 A 20 20 GLY C C 20 177.818 175.537 2.281 2
1 245 . 1 1 A 20 20 GLY CA C 20 47.102 46.798 0.304 2
1 246 . 1 1 A 20 20 GLY N N 20 107.003 106.283 0.720 2
1 247 . 1 1 A 21 21 LEU H H 21 8.310 7.625 0.685 2
1 248 . 1 1 A 21 21 LEU HA H 21 3.696 4.090 -0.394 2
1 258 . 1 1 A 21 21 LEU C C 21 178.603 178.172 0.431 2
1 259 . 1 1 A 21 21 LEU CA C 21 57.417 57.140 0.277 2
1 260 . 1 1 A 21 21 LEU CB C 21 41.798 42.677 -0.879 2
1 264 . 1 1 A 21 21 LEU N N 21 124.762 121.877 2.885 2
1 265 . 1 1 A 22 22 ASN H H 22 7.628 8.722 -1.094 2
1 266 . 1 1 A 22 22 ASN HA H 22 4.701 4.730 -0.029 2
1 271 . 1 1 A 22 22 ASN C C 22 175.456 178.108 -2.652 2
1 272 . 1 1 A 22 22 ASN CA C 22 53.292 55.331 -2.039 2
1 273 . 1 1 A 22 22 ASN CB C 22 39.188 38.758 0.430 2
1 274 . 1 1 A 22 22 ASN N N 22 114.867 115.426 -0.559 2
1 276 . 1 1 A 23 23 GLY H H 23 7.586 8.174 -0.588 2
1 277 . 1 1 A 23 23 GLY HA2 H 23 3.810 3.948 -0.138 2
1 278 . 1 1 A 23 23 GLY HA3 H 23 4.102 4.029 0.072 2
1 279 . 1 1 A 23 23 GLY C C 23 175.226 175.011 0.215 2
1 280 . 1 1 A 23 23 GLY CA C 23 46.302 46.414 -0.112 2
1 281 . 1 1 A 23 23 GLY N N 23 106.650 108.675 -2.025 2
1 282 . 1 1 A 24 24 ARG H H 24 8.156 8.122 0.034 2
1 283 . 1 1 A 24 24 ARG HA H 24 4.508 4.199 0.309 2
1 290 . 1 1 A 24 24 ARG C C 24 177.405 175.493 1.912 2
1 291 . 1 1 A 24 24 ARG CA C 24 55.103 58.455 -3.352 2
1 292 . 1 1 A 24 24 ARG CB C 24 30.537 29.907 0.630 2
1 295 . 1 1 A 24 24 ARG N N 24 118.161 119.457 -1.296 2
1 296 . 1 1 A 25 25 SER H H 25 9.015 8.703 0.312 2
1 297 . 1 1 A 25 25 SER HA H 25 4.804 5.110 -0.306 2
1 300 . 1 1 A 25 25 SER C C 25 175.005 174.340 0.665 2
1 301 . 1 1 A 25 25 SER CA C 25 57.752 57.373 0.379 2
1 302 . 1 1 A 25 25 SER CB C 25 64.687 65.829 -1.142 2
1 303 . 1 1 A 25 25 SER N N 25 119.720 113.699 6.021 2
1 304 . 1 1 A 26 26 GLN H H 26 8.662 8.606 0.056 2
1 305 . 1 1 A 26 26 GLN HA H 26 3.162 4.201 -1.039 2
1 312 . 1 1 A 26 26 GLN C C 26 177.736 177.451 0.285 2
1 313 . 1 1 A 26 26 GLN CA C 26 58.643 57.498 1.145 2
1 314 . 1 1 A 26 26 GLN CB C 26 27.352 28.307 -0.955 2
1 316 . 1 1 A 26 26 GLN N N 26 120.247 123.199 -2.952 2
1 318 . 1 1 A 27 27 GLU H H 27 8.244 8.058 0.186 2
1 319 . 1 1 A 27 27 GLU HA H 27 3.886 4.051 -0.165 2
1 324 . 1 1 A 27 27 GLU C C 27 176.177 177.700 -1.523 2
1 325 . 1 1 A 27 27 GLU CA C 27 57.807 58.280 -0.473 2
1 326 . 1 1 A 27 27 GLU CB C 27 28.583 29.554 -0.971 2
1 328 . 1 1 A 27 27 GLU N N 27 117.869 120.146 -2.277 2
1 329 . 1 1 A 28 28 ALA H H 28 7.451 7.574 -0.123 2
1 330 . 1 1 A 28 28 ALA HA H 28 4.070 4.354 -0.284 2
1 334 . 1 1 A 28 28 ALA C C 28 176.063 176.671 -0.607 2
1 335 . 1 1 A 28 28 ALA CA C 28 51.945 52.033 -0.088 2
1 336 . 1 1 A 28 28 ALA CB C 28 18.113 18.884 -0.771 2
1 337 . 1 1 A 28 28 ALA N N 28 120.356 120.171 0.185 2
1 338 . 1 1 A 29 29 CYS H H 29 6.591 7.114 -0.523 2
1 339 . 1 1 A 29 29 CYS HA H 29 1.828 3.879 -2.051 2
1 342 . 1 1 A 29 29 CYS CA C 29 56.231 55.198 1.033 2
1 343 . 1 1 A 29 29 CYS CB C 29 27.778 27.361 0.417 2
1 344 . 1 1 A 29 29 CYS N N 29 121.588 118.910 2.678 2
1 345 . 1 1 A 30 30 PRO HA H 30 4.323 4.351 -0.028 2
1 352 . 1 1 A 30 30 PRO C C 30 175.515 176.000 -0.485 2
1 353 . 1 1 A 30 30 PRO CA C 30 63.382 63.437 -0.055 2
1 354 . 1 1 A 30 30 PRO CB C 30 31.551 32.103 -0.552 2
1 357 . 1 1 A 31 31 TYR H H 31 6.804 7.961 -1.157 2
1 358 . 1 1 A 31 31 TYR HA H 31 4.582 4.465 0.117 2
1 365 . 1 1 A 31 31 TYR C C 31 174.785 175.704 -0.919 2
1 366 . 1 1 A 31 31 TYR CA C 31 58.348 59.688 -1.340 2
1 367 . 1 1 A 31 31 TYR CB C 31 41.030 39.463 1.567 2
1 372 . 1 1 A 31 31 TYR N N 31 118.903 120.148 -1.245 2
1 373 . 1 1 A 32 32 GLN H H 32 8.763 7.803 0.960 2
1 374 . 1 1 A 32 32 GLN HA H 32 4.344 4.655 -0.311 2
1 381 . 1 1 A 32 32 GLN C C 32 176.528 174.796 1.732 2
1 382 . 1 1 A 32 32 GLN CA C 32 55.996 54.907 1.089 2
1 383 . 1 1 A 32 32 GLN CB C 32 30.182 31.877 -1.695 2
1 385 . 1 1 A 32 32 GLN N N 32 120.327 115.926 4.401 2
1 387 . 1 1 A 33 33 GLN H H 33 8.230 8.753 -0.523 2
1 388 . 1 1 A 33 33 GLN HA H 33 4.262 4.399 -0.137 2
1 395 . 1 1 A 33 33 GLN C C 33 177.216 177.812 -0.596 2
1 396 . 1 1 A 33 33 GLN CA C 33 56.931 57.541 -0.611 2
1 397 . 1 1 A 33 33 GLN CB C 33 28.699 29.541 -0.842 2
1 399 . 1 1 A 33 33 GLN N N 33 121.712 121.757 -0.045 2
1 401 . 1 1 A 34 34 VAL H H 34 8.484 8.040 0.444 2
1 402 . 1 1 A 34 34 VAL HA H 34 3.551 3.547 0.004 2
1 410 . 1 1 A 34 34 VAL C C 34 177.685 177.679 0.006 2
1 411 . 1 1 A 34 34 VAL CA C 34 66.570 66.432 0.138 2
1 412 . 1 1 A 34 34 VAL CB C 34 31.946 31.678 0.268 2
1 415 . 1 1 A 34 34 VAL N N 34 122.145 119.839 2.306 2
1 416 . 1 1 A 35 35 ASP H H 35 8.324 8.330 -0.006 2
1 417 . 1 1 A 35 35 ASP HA H 35 4.434 4.449 -0.015 2
1 420 . 1 1 A 35 35 ASP C C 35 177.892 178.658 -0.766 2
1 421 . 1 1 A 35 35 ASP CA C 35 56.826 57.337 -0.511 2
1 422 . 1 1 A 35 35 ASP CB C 35 38.807 40.259 -1.452 2
1 423 . 1 1 A 35 35 ASP N N 35 120.937 119.595 1.342 2
1 424 . 1 1 A 36 36 ALA H H 36 8.431 8.222 0.209 2
1 425 . 1 1 A 36 36 ALA HA H 36 3.598 4.196 -0.598 2
1 429 . 1 1 A 36 36 ALA C C 36 178.949 179.737 -0.788 2
1 430 . 1 1 A 36 36 ALA CA C 36 55.327 55.185 0.142 2
1 431 . 1 1 A 36 36 ALA CB C 36 17.371 18.282 -0.911 2
1 432 . 1 1 A 36 36 ALA N N 36 126.210 122.754 3.456 2
1 433 . 1 1 A 37 37 ARG H H 37 8.458 8.259 0.199 2
1 434 . 1 1 A 37 37 ARG HA H 37 3.857 4.192 -0.335 2
1 442 . 1 1 A 37 37 ARG C C 37 177.746 178.829 -1.083 2
1 443 . 1 1 A 37 37 ARG CA C 37 60.636 59.644 0.992 2
1 444 . 1 1 A 37 37 ARG CB C 37 29.931 29.977 -0.046 2
1 447 . 1 1 A 37 37 ARG N N 37 116.717 119.325 -2.608 2
1 449 . 1 1 A 38 38 SER H H 38 8.173 7.909 0.264 2
1 450 . 1 1 A 38 38 SER HA H 38 4.130 4.233 -0.103 2
1 451 . 1 1 A 38 38 SER C C 38 178.293 175.745 2.548 2
1 452 . 1 1 A 38 38 SER CA C 38 62.627 61.774 0.853 2
1 453 . 1 1 A 38 38 SER N N 38 114.110 116.007 -1.897 2
1 454 . 1 1 A 39 39 TYR H H 39 8.343 7.525 0.818 2
1 455 . 1 1 A 39 39 TYR HA H 39 4.213 4.501 -0.288 2
1 462 . 1 1 A 39 39 TYR C C 39 178.701 178.627 0.074 2
1 463 . 1 1 A 39 39 TYR CA C 39 62.466 60.380 2.086 2
1 464 . 1 1 A 39 39 TYR CB C 39 38.687 39.351 -0.664 2
1 469 . 1 1 A 39 39 TYR N N 39 123.318 118.931 4.387 2
1 470 . 1 1 A 40 40 TRP H H 40 8.818 8.677 0.141 2
1 471 . 1 1 A 40 40 TRP HA H 40 4.586 4.667 -0.081 2
1 480 . 1 1 A 40 40 TRP C C 40 179.359 178.091 1.268 2
1 481 . 1 1 A 40 40 TRP CA C 40 61.953 60.511 1.441 2
1 482 . 1 1 A 40 40 TRP CB C 40 31.349 29.929 1.420 2
1 488 . 1 1 A 40 40 TRP N N 40 123.286 121.903 1.383 2
1 490 . 1 1 A 41 41 LEU H H 41 9.368 8.334 1.034 2
1 491 . 1 1 A 41 41 LEU HA H 41 4.405 4.236 0.169 2
1 501 . 1 1 A 41 41 LEU C C 41 179.498 178.988 0.510 2
1 502 . 1 1 A 41 41 LEU CA C 41 58.206 57.675 0.531 2
1 503 . 1 1 A 41 41 LEU CB C 41 41.754 41.871 -0.117 2
1 507 . 1 1 A 41 41 LEU N N 41 119.265 120.583 -1.318 2
1 508 . 1 1 A 42 42 GLY H H 42 8.283 8.224 0.059 2
1 509 . 1 1 A 42 42 GLY HA2 H 42 3.857 3.767 0.090 2
1 510 . 1 1 A 42 42 GLY HA3 H 42 3.929 3.795 0.134 2
1 511 . 1 1 A 42 42 GLY C C 42 176.508 176.725 -0.217 2
1 512 . 1 1 A 42 42 GLY CA C 42 47.412 47.524 -0.112 2
1 513 . 1 1 A 42 42 GLY N N 42 108.413 106.930 1.483 2
1 514 . 1 1 A 43 43 GLY H H 43 8.181 8.152 0.029 2
1 515 . 1 1 A 43 43 GLY HA2 H 43 4.124 3.815 0.309 2
1 516 . 1 1 A 43 43 GLY HA3 H 43 4.258 3.842 0.416 2
1 517 . 1 1 A 43 43 GLY C C 43 174.891 175.677 -0.786 2
1 518 . 1 1 A 43 43 GLY CA C 43 47.341 47.027 0.314 2
1 519 . 1 1 A 43 43 GLY N N 43 109.904 108.862 1.042 2
1 520 . 1 1 A 44 44 TRP H H 44 8.460 7.994 0.466 2
1 521 . 1 1 A 44 44 TRP HA H 44 3.578 4.162 -0.584 2
1 530 . 1 1 A 44 44 TRP C C 44 178.547 178.342 0.205 2
1 531 . 1 1 A 44 44 TRP CA C 44 62.646 59.923 2.723 2
1 532 . 1 1 A 44 44 TRP CB C 44 29.467 29.363 0.104 2
1 538 . 1 1 A 44 44 TRP N N 44 124.152 124.168 -0.016 2
1 540 . 1 1 A 45 45 ARG H H 45 8.759 8.589 0.170 2
1 541 . 1 1 A 45 45 ARG HA H 45 3.669 3.873 -0.204 2
1 549 . 1 1 A 45 45 ARG C C 45 178.784 178.298 0.486 2
1 550 . 1 1 A 45 45 ARG CA C 45 59.785 59.433 0.352 2
1 551 . 1 1 A 45 45 ARG CB C 45 30.295 29.890 0.405 2
1 554 . 1 1 A 45 45 ARG N N 45 118.655 118.626 0.029 2
1 556 . 1 1 A 46 46 ASP H H 46 8.084 8.161 -0.076 2
1 557 . 1 1 A 46 46 ASP HA H 46 4.362 4.291 0.071 2
1 560 . 1 1 A 46 46 ASP C C 46 178.818 177.972 0.846 2
1 561 . 1 1 A 46 46 ASP CA C 46 57.518 57.669 -0.151 2
1 562 . 1 1 A 46 46 ASP CB C 46 39.752 41.597 -1.845 2
1 563 . 1 1 A 46 46 ASP N N 46 120.646 119.272 1.374 2
1 564 . 1 1 A 47 47 ALA H H 47 7.873 8.038 -0.165 2
1 565 . 1 1 A 47 47 ALA HA H 47 3.627 3.656 -0.029 2
1 569 . 1 1 A 47 47 ALA C C 47 179.397 179.156 0.241 2
1 570 . 1 1 A 47 47 ALA CA C 47 54.962 54.788 0.173 2
1 571 . 1 1 A 47 47 ALA CB C 47 18.940 17.621 1.319 2
1 572 . 1 1 A 47 47 ALA N N 47 122.126 121.249 0.877 2
1 573 . 1 1 A 48 48 ARG H H 48 7.587 7.637 -0.050 2
1 574 . 1 1 A 48 48 ARG HA H 48 3.538 3.738 -0.200 2
1 582 . 1 1 A 48 48 ARG C C 48 178.647 178.263 0.384 2
1 583 . 1 1 A 48 48 ARG CA C 48 57.880 59.290 -1.410 2
1 584 . 1 1 A 48 48 ARG CB C 48 28.753 29.577 -0.824 2
1 587 . 1 1 A 48 48 ARG N N 48 117.721 117.892 -0.171 2
1 589 . 1 1 A 49 49 ASP H H 49 8.249 8.237 0.012 2
1 590 . 1 1 A 49 49 ASP HA H 49 4.383 4.378 0.005 2
1 593 . 1 1 A 49 49 ASP C C 49 178.360 178.212 0.148 2
1 594 . 1 1 A 49 49 ASP CA C 49 56.330 56.270 0.060 2
1 595 . 1 1 A 49 49 ASP CB C 49 40.401 40.731 -0.330 2
1 596 . 1 1 A 49 49 ASP N N 49 119.997 119.299 0.698 2
1 597 . 1 1 A 50 50 GLU H H 50 8.060 7.589 0.471 2
1 598 . 1 1 A 50 50 GLU HA H 50 4.007 4.087 -0.079 2
1 603 . 1 1 A 50 50 GLU C C 50 178.675 178.309 0.366 2
1 604 . 1 1 A 50 50 GLU CA C 50 58.740 58.648 0.092 2
1 605 . 1 1 A 50 50 GLU CB C 50 29.585 29.631 -0.046 2
1 607 . 1 1 A 50 50 GLU N N 50 121.823 119.032 2.791 2
1 608 . 1 1 A 51 51 LYS H H 51 8.089 7.649 0.440 2
1 609 . 1 1 A 51 51 LYS HA H 51 4.057 4.142 -0.085 2
1 618 . 1 1 A 51 51 LYS C C 51 178.241 178.539 -0.298 2
1 619 . 1 1 A 51 51 LYS CA C 51 57.727 58.063 -0.336 2
1 620 . 1 1 A 51 51 LYS CB C 51 32.090 32.291 -0.201 2
1 624 . 1 1 A 51 51 LYS N N 51 119.415 119.114 0.301 2
1 625 . 1 1 A 52 52 GLN H H 52 8.043 7.802 0.241 2
1 626 . 1 1 A 52 52 GLN HA H 52 4.189 4.117 0.072 2
1 633 . 1 1 A 52 52 GLN C C 52 176.965 178.075 -1.110 2
1 634 . 1 1 A 52 52 GLN CA C 52 56.977 58.288 -1.311 2
1 635 . 1 1 A 52 52 GLN CB C 52 28.858 28.751 0.107 2
1 637 . 1 1 A 52 52 GLN N N 52 118.262 119.596 -1.334 2
1 639 . 1 1 A 53 53 SER H H 53 8.088 8.110 -0.022 2
1 640 . 1 1 A 53 53 SER HA H 53 4.339 4.381 -0.042 2
1 643 . 1 1 A 53 53 SER C C 53 175.679 176.437 -0.758 2
1 644 . 1 1 A 53 53 SER CA C 53 59.492 60.547 -1.055 2
1 645 . 1 1 A 53 53 SER CB C 53 63.849 63.118 0.731 2
1 646 . 1 1 A 53 53 SER N N 53 114.966 115.765 -0.799 2
1 647 . 1 1 A 54 54 GLY H H 54 8.228 8.192 0.036 2
1 648 . 1 1 A 54 54 GLY HA2 H 54 3.939 3.898 0.041 2
1 649 . 1 1 A 54 54 GLY HA3 H 54 3.867 3.916 -0.049 2
1 650 . 1 1 A 54 54 GLY C C 54 174.591 174.861 -0.270 2
1 651 . 1 1 A 54 54 GLY CA C 54 45.776 46.398 -0.622 2
1 652 . 1 1 A 54 54 GLY N N 54 110.315 109.539 0.776 2
1 653 . 1 1 A 55 55 LEU H H 55 7.846 7.721 0.125 2
1 654 . 1 1 A 55 55 LEU HA H 55 4.174 4.273 -0.099 2
1 664 . 1 1 A 55 55 LEU C C 55 177.315 176.447 0.868 2
1 665 . 1 1 A 55 55 LEU CA C 55 55.716 55.950 -0.234 2
1 666 . 1 1 A 55 55 LEU CB C 55 42.103 41.517 0.586 2
1 670 . 1 1 A 55 55 LEU N N 55 121.456 119.598 1.858 2
1 671 . 1 1 A 56 56 TYR H H 56 7.960 8.040 -0.080 2
1 672 . 1 1 A 56 56 TYR HA H 56 4.450 4.487 -0.037 2
1 679 . 1 1 A 56 56 TYR C C 56 176.206 175.542 0.664 2
1 680 . 1 1 A 56 56 TYR CA C 56 58.242 58.631 -0.389 2
1 681 . 1 1 A 56 56 TYR CB C 56 38.478 38.197 0.280 2
1 686 . 1 1 A 56 56 TYR N N 56 119.665 119.629 0.035 2
1 687 . 1 1 A 57 57 LYS H H 57 8.015 8.116 -0.101 2
1 688 . 1 1 A 57 57 LYS HA H 57 4.154 4.284 -0.130 2
1 697 . 1 1 A 57 57 LYS C C 57 176.553 176.368 0.185 2
1 698 . 1 1 A 57 57 LYS CA C 57 56.656 56.601 0.055 2
1 699 . 1 1 A 57 57 LYS CB C 57 32.870 32.639 0.231 2
1 703 . 1 1 A 57 57 LYS N N 57 122.012 120.300 1.712 2
1 704 . 1 1 A 58 58 LEU H H 58 8.035 7.886 0.149 2
1 705 . 1 1 A 58 58 LEU HA H 58 4.185 4.261 -0.076 2
1 715 . 1 1 A 58 58 LEU C C 58 177.527 176.732 0.795 2
1 716 . 1 1 A 58 58 LEU CA C 58 55.574 55.853 -0.279 2
1 717 . 1 1 A 58 58 LEU CB C 58 42.175 42.567 -0.392 2
1 721 . 1 1 A 58 58 LEU N N 58 122.265 120.790 1.476 2
1 722 . 1 1 A 59 59 GLU H H 59 8.253 8.225 0.028 2
1 723 . 1 1 A 59 59 GLU HA H 59 4.123 4.278 -0.155 2
1 728 . 1 1 A 59 59 GLU C C 59 176.231 176.075 0.156 2
1 729 . 1 1 A 59 59 GLU CA C 59 56.658 56.925 -0.267 2
1 730 . 1 1 A 59 59 GLU CB C 59 30.246 30.002 0.244 2
1 732 . 1 1 A 59 59 GLU N N 59 120.313 119.340 0.973 2
stop_
save_