data_15707_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15707
_Entry.PDB_ID 2K2J
_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 2 . 1 1 1 A 9 9 LYS H H 9 8.338 8.896 -0.558 1
1 3 . 1 1 1 A 9 9 LYS C C 9 176.402 174.184 2.218 1
1 4 . 1 1 1 A 9 9 LYS N N 9 122.857 121.114 1.743 1
1 5 . 1 1 1 A 10 10 ASP H H 10 8.335 8.759 -0.424 1
1 6 . 1 1 1 A 10 10 ASP HA H 10 4.562 5.190 -0.628 1
1 9 . 1 1 1 A 10 10 ASP C C 10 176.123 174.346 1.777 1
1 10 . 1 1 1 A 10 10 ASP CA C 10 54.344 53.136 1.208 1
1 11 . 1 1 1 A 10 10 ASP CB C 10 41.227 44.481 -3.254 1
1 12 . 1 1 1 A 10 10 ASP N N 10 121.507 120.646 0.861 1
1 13 . 1 1 1 A 11 11 GLU H H 11 8.231 8.644 -0.413 1
1 14 . 1 1 1 A 11 11 GLU HA H 11 4.222 4.970 -0.748 1
1 19 . 1 1 1 A 11 11 GLU CA C 11 56.356 55.466 0.890 1
1 20 . 1 1 1 A 11 11 GLU CB C 11 30.439 31.476 -1.037 1
1 22 . 1 1 1 A 11 11 GLU N N 11 121.321 125.848 -4.527 1
1 23 . 1 1 1 A 12 12 HIS H H 12 8.431 8.862 -0.431 1
1 24 . 1 1 1 A 12 12 HIS HA H 12 4.618 4.818 -0.200 1
1 28 . 1 1 1 A 12 12 HIS C C 12 174.980 173.550 1.430 1
1 29 . 1 1 1 A 12 12 HIS CA C 12 55.952 56.180 -0.228 1
1 30 . 1 1 1 A 12 12 HIS CB C 12 30.058 33.054 -2.996 1
1 32 . 1 1 1 A 12 12 HIS N N 12 120.447 122.669 -2.222 1
1 33 . 1 1 1 A 13 13 LYS H H 13 8.191 7.825 0.366 1
1 34 . 1 1 1 A 13 13 LYS HA H 13 4.355 3.923 0.432 1
1 43 . 1 1 1 A 13 13 LYS C C 13 175.327 176.114 -0.787 1
1 44 . 1 1 1 A 13 13 LYS CA C 13 55.620 57.123 -1.503 1
1 45 . 1 1 1 A 13 13 LYS CB C 13 33.729 32.567 1.162 1
1 49 . 1 1 1 A 13 13 LYS N N 13 124.365 123.056 1.309 1
1 50 . 1 1 1 A 14 14 GLN H H 14 8.229 8.541 -0.312 1
1 51 . 1 1 1 A 14 14 GLN HA H 14 4.037 4.645 -0.608 1
1 58 . 1 1 1 A 14 14 GLN C C 14 173.432 174.786 -1.354 1
1 59 . 1 1 1 A 14 14 GLN CA C 14 54.613 54.616 -0.003 1
1 60 . 1 1 1 A 14 14 GLN CB C 14 29.096 29.326 -0.230 1
1 62 . 1 1 1 A 14 14 GLN N N 14 123.823 123.237 0.586 1
1 64 . 1 1 1 A 15 15 GLN H H 15 7.896 8.427 -0.531 1
1 65 . 1 1 1 A 15 15 GLN HA H 15 5.459 5.211 0.248 1
1 70 . 1 1 1 A 15 15 GLN C C 15 174.263 175.357 -1.094 1
1 71 . 1 1 1 A 15 15 GLN CA C 15 54.506 54.318 0.188 1
1 72 . 1 1 1 A 15 15 GLN CB C 15 31.418 32.880 -1.462 1
1 74 . 1 1 1 A 15 15 GLN N N 15 121.452 125.839 -4.387 1
1 75 . 1 1 1 A 16 16 GLY H H 16 8.795 8.290 0.505 1
1 76 . 1 1 1 A 16 16 GLY HA2 H 16 4.056 4.298 -0.242 1
1 77 . 1 1 1 A 16 16 GLY HA3 H 16 4.801 4.507 0.294 1
1 78 . 1 1 1 A 16 16 GLY C C 16 171.456 171.495 -0.039 1
1 79 . 1 1 1 A 16 16 GLY CA C 16 44.773 46.216 -1.443 1
1 80 . 1 1 1 A 16 16 GLY N N 16 107.937 109.342 -1.405 1
1 81 . 1 1 1 A 17 17 GLU H H 17 8.718 8.580 0.138 1
1 82 . 1 1 1 A 17 17 GLU HA H 17 5.220 5.085 0.135 1
1 87 . 1 1 1 A 17 17 GLU C C 17 176.562 174.826 1.736 1
1 88 . 1 1 1 A 17 17 GLU CA C 17 55.880 54.634 1.246 1
1 89 . 1 1 1 A 17 17 GLU CB C 17 30.995 33.197 -2.202 1
1 91 . 1 1 1 A 17 17 GLU N N 17 119.686 121.936 -2.250 1
1 92 . 1 1 1 A 18 18 LEU H H 18 8.806 8.582 0.224 1
1 93 . 1 1 1 A 18 18 LEU HA H 18 4.652 4.583 0.069 1
1 103 . 1 1 1 A 18 18 LEU C C 18 176.851 174.211 2.640 1
1 104 . 1 1 1 A 18 18 LEU CA C 18 53.786 53.085 0.701 1
1 105 . 1 1 1 A 18 18 LEU CB C 18 47.961 44.022 3.939 1
1 109 . 1 1 1 A 18 18 LEU N N 18 122.158 121.706 0.452 1
1 110 . 1 1 1 A 19 19 TYR H H 19 8.833 8.458 0.375 1
1 111 . 1 1 1 A 19 19 TYR HA H 19 5.837 5.669 0.168 1
1 118 . 1 1 1 A 19 19 TYR C C 19 176.038 175.607 0.431 1
1 119 . 1 1 1 A 19 19 TYR CA C 19 56.750 56.744 0.006 1
1 120 . 1 1 1 A 19 19 TYR CB C 19 40.531 42.462 -1.931 1
1 125 . 1 1 1 A 19 19 TYR N N 19 117.278 119.392 -2.114 1
1 126 . 1 1 1 A 20 20 MET H H 20 9.743 9.320 0.423 1
1 127 . 1 1 1 A 20 20 MET HA H 20 5.207 5.265 -0.058 1
1 135 . 1 1 1 A 20 20 MET C C 20 175.349 175.220 0.129 1
1 136 . 1 1 1 A 20 20 MET CA C 20 54.611 54.513 0.098 1
1 137 . 1 1 1 A 20 20 MET CB C 20 37.352 36.460 0.892 1
1 140 . 1 1 1 A 20 20 MET N N 20 120.128 120.745 -0.617 1
1 141 . 1 1 1 A 21 21 TRP H H 21 8.142 8.450 -0.308 1
1 142 . 1 1 1 A 21 21 TRP HA H 21 4.084 3.644 0.440 1
1 150 . 1 1 1 A 21 21 TRP C C 21 174.752 174.554 0.198 1
1 151 . 1 1 1 A 21 21 TRP CA C 21 56.246 58.413 -2.167 1
1 152 . 1 1 1 A 21 21 TRP CB C 21 29.682 29.633 0.049 1
1 157 . 1 1 1 A 21 21 TRP N N 21 126.799 125.677 1.122 1
1 159 . 1 1 1 A 22 22 ASP H H 22 8.034 7.466 0.568 1
1 160 . 1 1 1 A 22 22 ASP HA H 22 4.417 4.558 -0.141 1
1 163 . 1 1 1 A 22 22 ASP C C 22 175.814 175.877 -0.063 1
1 164 . 1 1 1 A 22 22 ASP CA C 22 52.020 52.271 -0.251 1
1 165 . 1 1 1 A 22 22 ASP CB C 22 41.748 41.138 0.610 1
1 166 . 1 1 1 A 22 22 ASP N N 22 129.313 127.321 1.992 1
1 167 . 1 1 1 A 23 23 SER H H 23 8.331 8.263 0.068 1
1 168 . 1 1 1 A 23 23 SER HA H 23 3.719 3.817 -0.098 1
1 171 . 1 1 1 A 23 23 SER C C 23 175.145 176.340 -1.195 1
1 172 . 1 1 1 A 23 23 SER CA C 23 59.732 60.509 -0.777 1
1 173 . 1 1 1 A 23 23 SER CB C 23 63.304 62.842 0.462 1
1 174 . 1 1 1 A 23 23 SER N N 23 119.796 118.426 1.370 1
1 175 . 1 1 1 A 24 24 ILE H H 24 8.044 7.351 0.693 1
1 176 . 1 1 1 A 24 24 ILE HA H 24 3.849 3.591 0.258 1
1 186 . 1 1 1 A 24 24 ILE C C 24 177.615 176.855 0.760 1
1 187 . 1 1 1 A 24 24 ILE CA C 24 63.257 65.037 -1.780 1
1 188 . 1 1 1 A 24 24 ILE CB C 24 36.400 37.910 -1.510 1
1 192 . 1 1 1 A 24 24 ILE N N 24 124.085 122.366 1.719 1
1 193 . 1 1 1 A 25 25 ASP H H 25 7.641 7.554 0.087 1
1 194 . 1 1 1 A 25 25 ASP HA H 25 4.492 4.709 -0.217 1
1 197 . 1 1 1 A 25 25 ASP C C 25 175.486 175.178 0.308 1
1 198 . 1 1 1 A 25 25 ASP CA C 25 54.313 53.157 1.156 1
1 199 . 1 1 1 A 25 25 ASP CB C 25 40.789 41.631 -0.842 1
1 200 . 1 1 1 A 25 25 ASP N N 25 118.371 118.585 -0.214 1
1 201 . 1 1 1 A 26 26 GLN H H 26 7.340 7.613 -0.273 1
1 202 . 1 1 1 A 26 26 GLN HA H 26 2.828 3.117 -0.289 1
1 209 . 1 1 1 A 26 26 GLN C C 26 173.882 174.504 -0.622 1
1 210 . 1 1 1 A 26 26 GLN CA C 26 55.956 56.581 -0.625 1
1 211 . 1 1 1 A 26 26 GLN CB C 26 25.070 26.697 -1.627 1
1 213 . 1 1 1 A 26 26 GLN N N 26 116.358 116.084 0.274 1
1 215 . 1 1 1 A 27 27 LYS H H 27 6.283 6.639 -0.356 1
1 216 . 1 1 1 A 27 27 LYS HA H 27 4.395 4.905 -0.510 1
1 225 . 1 1 1 A 27 27 LYS C C 27 173.510 174.051 -0.541 1
1 226 . 1 1 1 A 27 27 LYS CA C 27 54.164 55.074 -0.910 1
1 227 . 1 1 1 A 27 27 LYS CB C 27 35.825 34.591 1.234 1
1 231 . 1 1 1 A 27 27 LYS N N 27 114.611 113.753 0.858 1
1 232 . 1 1 1 A 28 28 TRP H H 28 8.751 8.741 0.010 1
1 233 . 1 1 1 A 28 28 TRP HA H 28 5.383 5.682 -0.299 1
1 242 . 1 1 1 A 28 28 TRP C C 28 177.411 176.708 0.703 1
1 243 . 1 1 1 A 28 28 TRP CA C 28 55.957 55.686 0.271 1
1 244 . 1 1 1 A 28 28 TRP CB C 28 30.752 31.290 -0.538 1
1 250 . 1 1 1 A 28 28 TRP N N 28 121.520 119.056 2.464 1
1 252 . 1 1 1 A 29 29 THR H H 29 9.413 9.063 0.350 1
1 253 . 1 1 1 A 29 29 THR HA H 29 4.852 5.478 -0.626 1
1 258 . 1 1 1 A 29 29 THR C C 29 173.520 173.117 0.403 1
1 259 . 1 1 1 A 29 29 THR CA C 29 60.308 59.906 0.402 1
1 260 . 1 1 1 A 29 29 THR CB C 29 69.736 71.174 -1.438 1
1 262 . 1 1 1 A 29 29 THR N N 29 117.059 114.565 2.494 1
1 263 . 1 1 1 A 30 30 ARG H H 30 9.117 8.499 0.618 1
1 264 . 1 1 1 A 30 30 ARG HA H 30 4.790 4.405 0.385 1
1 272 . 1 1 1 A 30 30 ARG C C 30 174.447 174.876 -0.429 1
1 273 . 1 1 1 A 30 30 ARG CA C 30 55.949 54.647 1.302 1
1 274 . 1 1 1 A 30 30 ARG CB C 30 33.388 31.230 2.158 1
1 277 . 1 1 1 A 30 30 ARG N N 30 126.027 121.669 4.358 1
1 278 . 1 1 1 A 31 31 HIS H H 31 9.011 8.635 0.376 1
1 279 . 1 1 1 A 31 31 HIS HA H 31 4.636 4.940 -0.304 1
1 282 . 1 1 1 A 31 31 HIS C C 31 173.947 173.509 0.438 1
1 283 . 1 1 1 A 31 31 HIS CA C 31 55.185 53.897 1.288 1
1 284 . 1 1 1 A 31 31 HIS CB C 31 33.332 33.497 -0.165 1
1 285 . 1 1 1 A 31 31 HIS N N 31 121.017 124.606 -3.589 1
1 286 . 1 1 1 A 32 32 TYR H H 32 9.361 9.074 0.287 1
1 287 . 1 1 1 A 32 32 TYR HA H 32 4.745 4.787 -0.042 1
1 294 . 1 1 1 A 32 32 TYR C C 32 176.298 174.563 1.735 1
1 295 . 1 1 1 A 32 32 TYR CA C 32 59.316 56.669 2.647 1
1 296 . 1 1 1 A 32 32 TYR CB C 32 39.341 38.793 0.548 1
1 301 . 1 1 1 A 32 32 TYR N N 32 124.440 124.573 -0.133 1
1 302 . 1 1 1 A 33 33 CYS H H 33 8.750 8.451 0.299 1
1 303 . 1 1 1 A 33 33 CYS HA H 33 5.857 5.463 0.394 1
1 306 . 1 1 1 A 33 33 CYS C C 33 172.735 174.038 -1.303 1
1 307 . 1 1 1 A 33 33 CYS CA C 33 57.108 57.636 -0.528 1
1 308 . 1 1 1 A 33 33 CYS CB C 33 32.779 29.522 3.257 1
1 309 . 1 1 1 A 33 33 CYS N N 33 127.462 126.618 0.844 1
1 310 . 1 1 1 A 34 34 ALA H H 34 8.565 8.587 -0.022 1
1 311 . 1 1 1 A 34 34 ALA HA H 34 5.290 4.967 0.323 1
1 315 . 1 1 1 A 34 34 ALA C C 34 176.215 175.707 0.508 1
1 316 . 1 1 1 A 34 34 ALA CA C 34 51.773 52.010 -0.237 1
1 317 . 1 1 1 A 34 34 ALA CB C 34 23.139 21.744 1.395 1
1 318 . 1 1 1 A 34 34 ALA N N 34 121.115 122.825 -1.710 1
1 319 . 1 1 1 A 35 35 ILE H H 35 8.413 8.670 -0.257 1
1 320 . 1 1 1 A 35 35 ILE HA H 35 5.275 4.941 0.334 1
1 330 . 1 1 1 A 35 35 ILE C C 35 175.768 174.962 0.806 1
1 331 . 1 1 1 A 35 35 ILE CA C 35 60.105 60.586 -0.481 1
1 332 . 1 1 1 A 35 35 ILE CB C 35 39.737 38.375 1.362 1
1 336 . 1 1 1 A 35 35 ILE N N 35 120.176 123.908 -3.732 1
1 337 . 1 1 1 A 36 36 ALA H H 36 8.666 8.720 -0.054 1
1 338 . 1 1 1 A 36 36 ALA HA H 36 4.581 4.742 -0.161 1
1 342 . 1 1 1 A 36 36 ALA CA C 36 52.028 50.621 1.407 1
1 343 . 1 1 1 A 36 36 ALA CB C 36 21.365 21.243 0.122 1
1 344 . 1 1 1 A 36 36 ALA N N 36 129.732 129.622 0.110 1
1 345 . 1 1 1 A 37 37 ASP H H 37 9.379 8.884 0.495 1
1 346 . 1 1 1 A 37 37 ASP HA H 37 4.228 4.215 0.013 1
1 349 . 1 1 1 A 37 37 ASP C C 37 174.579 175.616 -1.037 1
1 350 . 1 1 1 A 37 37 ASP CA C 37 55.822 56.490 -0.668 1
1 351 . 1 1 1 A 37 37 ASP CB C 37 39.784 39.480 0.304 1
1 352 . 1 1 1 A 37 37 ASP N N 37 124.926 119.903 5.023 1
1 353 . 1 1 1 A 38 38 ALA H H 38 8.710 8.284 0.426 1
1 354 . 1 1 1 A 38 38 ALA HA H 38 3.911 4.515 -0.604 1
1 358 . 1 1 1 A 38 38 ALA C C 38 174.866 176.691 -1.825 1
1 359 . 1 1 1 A 38 38 ALA CA C 38 53.040 51.639 1.401 1
1 360 . 1 1 1 A 38 38 ALA CB C 38 17.654 20.523 -2.869 1
1 361 . 1 1 1 A 38 38 ALA N N 38 115.547 123.633 -8.086 1
1 362 . 1 1 1 A 39 39 LYS H H 39 8.054 7.846 0.208 1
1 363 . 1 1 1 A 39 39 LYS HA H 39 5.247 5.000 0.247 1
1 372 . 1 1 1 A 39 39 LYS C C 39 175.201 174.703 0.498 1
1 373 . 1 1 1 A 39 39 LYS CA C 39 54.583 54.729 -0.146 1
1 374 . 1 1 1 A 39 39 LYS CB C 39 34.824 36.394 -1.570 1
1 378 . 1 1 1 A 39 39 LYS N N 39 117.589 116.940 0.649 1
1 379 . 1 1 1 A 40 40 LEU H H 40 9.090 8.656 0.434 1
1 380 . 1 1 1 A 40 40 LEU HA H 40 5.353 5.152 0.201 1
1 390 . 1 1 1 A 40 40 LEU C C 40 175.382 175.159 0.223 1
1 391 . 1 1 1 A 40 40 LEU CA C 40 53.987 53.557 0.430 1
1 392 . 1 1 1 A 40 40 LEU CB C 40 45.718 45.347 0.371 1
1 396 . 1 1 1 A 40 40 LEU N N 40 126.300 124.454 1.846 1
1 397 . 1 1 1 A 41 41 SER H H 41 9.539 8.869 0.670 1
1 398 . 1 1 1 A 41 41 SER HA H 41 5.493 5.779 -0.286 1
1 401 . 1 1 1 A 41 41 SER C C 41 173.435 173.933 -0.498 1
1 402 . 1 1 1 A 41 41 SER CA C 41 56.816 56.898 -0.082 1
1 403 . 1 1 1 A 41 41 SER CB C 41 65.706 64.934 0.772 1
1 404 . 1 1 1 A 41 41 SER N N 41 123.399 121.808 1.591 1
1 405 . 1 1 1 A 42 42 PHE H H 42 8.344 8.696 -0.352 1
1 406 . 1 1 1 A 42 42 PHE HA H 42 5.888 5.796 0.092 1
1 414 . 1 1 1 A 42 42 PHE C C 42 175.198 173.675 1.523 1
1 415 . 1 1 1 A 42 42 PHE CA C 42 54.335 55.355 -1.020 1
1 416 . 1 1 1 A 42 42 PHE CB C 42 43.360 42.226 1.134 1
1 422 . 1 1 1 A 42 42 PHE N N 42 117.935 119.286 -1.351 1
1 423 . 1 1 1 A 43 43 SER H H 43 8.843 8.881 -0.038 1
1 424 . 1 1 1 A 43 43 SER HA H 43 4.918 4.974 -0.056 1
1 427 . 1 1 1 A 43 43 SER C C 43 175.040 173.441 1.599 1
1 428 . 1 1 1 A 43 43 SER CA C 43 58.215 57.014 1.201 1
1 429 . 1 1 1 A 43 43 SER CB C 43 66.789 65.265 1.524 1
1 430 . 1 1 1 A 43 43 SER N N 43 117.280 117.901 -0.621 1
1 431 . 1 1 1 A 44 44 ASP H H 44 8.818 8.489 0.329 1
1 432 . 1 1 1 A 44 44 ASP HA H 44 4.909 4.661 0.248 1
1 435 . 1 1 1 A 44 44 ASP C C 44 175.955 175.606 0.349 1
1 436 . 1 1 1 A 44 44 ASP CA C 44 54.815 53.549 1.266 1
1 437 . 1 1 1 A 44 44 ASP CB C 44 41.729 41.391 0.338 1
1 438 . 1 1 1 A 44 44 ASP N N 44 120.846 122.803 -1.957 1
1 439 . 1 1 1 A 45 45 ASP H H 45 8.726 8.573 0.153 1
1 440 . 1 1 1 A 45 45 ASP HA H 45 4.273 4.533 -0.260 1
1 443 . 1 1 1 A 45 45 ASP C C 45 177.889 177.513 0.376 1
1 444 . 1 1 1 A 45 45 ASP CA C 45 54.145 55.096 -0.951 1
1 445 . 1 1 1 A 45 45 ASP CB C 45 41.329 40.929 0.400 1
1 446 . 1 1 1 A 45 45 ASP N N 45 120.848 120.004 0.844 1
1 447 . 1 1 1 A 46 46 ILE H H 46 8.369 8.630 -0.261 1
1 448 . 1 1 1 A 46 46 ILE HA H 46 4.079 4.353 -0.274 1
1 458 . 1 1 1 A 46 46 ILE C C 46 177.339 176.501 0.838 1
1 459 . 1 1 1 A 46 46 ILE CA C 46 62.357 61.276 1.081 1
1 460 . 1 1 1 A 46 46 ILE CB C 46 38.708 38.477 0.231 1
1 464 . 1 1 1 A 46 46 ILE N N 46 123.832 118.889 4.943 1
1 465 . 1 1 1 A 47 47 GLU H H 47 8.577 8.010 0.567 1
1 466 . 1 1 1 A 47 47 GLU HA H 47 4.258 4.502 -0.244 1
1 471 . 1 1 1 A 47 47 GLU C C 47 177.164 177.090 0.074 1
1 472 . 1 1 1 A 47 47 GLU CA C 47 57.249 56.758 0.491 1
1 473 . 1 1 1 A 47 47 GLU CB C 47 29.900 32.007 -2.107 1
1 475 . 1 1 1 A 47 47 GLU N N 47 122.294 119.201 3.093 1
1 476 . 1 1 1 A 48 48 GLN H H 48 7.894 8.230 -0.336 1
1 477 . 1 1 1 A 48 48 GLN HA H 48 4.365 4.488 -0.123 1
1 484 . 1 1 1 A 48 48 GLN C C 48 176.278 175.051 1.227 1
1 485 . 1 1 1 A 48 48 GLN CA C 48 55.830 55.265 0.565 1
1 486 . 1 1 1 A 48 48 GLN CB C 48 29.383 28.984 0.399 1
1 488 . 1 1 1 A 48 48 GLN N N 48 118.968 117.708 1.260 1
1 490 . 1 1 1 A 49 49 THR H H 49 8.048 7.561 0.487 1
1 491 . 1 1 1 A 49 49 THR HA H 49 4.331 4.107 0.224 1
1 496 . 1 1 1 A 49 49 THR C C 49 174.784 174.625 0.159 1
1 497 . 1 1 1 A 49 49 THR CA C 49 62.135 62.411 -0.276 1
1 498 . 1 1 1 A 49 49 THR CB C 49 69.736 69.580 0.156 1
1 500 . 1 1 1 A 49 49 THR N N 49 114.601 113.070 1.531 1
1 501 . 1 1 1 A 50 50 MET H H 50 8.409 8.429 -0.020 1
1 502 . 1 1 1 A 50 50 MET HA H 50 4.510 4.819 -0.309 1
1 510 . 1 1 1 A 50 50 MET C C 50 176.451 175.939 0.512 1
1 511 . 1 1 1 A 50 50 MET CA C 50 55.601 54.339 1.262 1
1 512 . 1 1 1 A 50 50 MET CB C 50 32.850 32.935 -0.085 1
1 515 . 1 1 1 A 50 50 MET N N 50 122.660 122.463 0.197 1
1 516 . 1 1 1 A 51 51 GLU H H 51 8.418 7.640 0.778 1
1 517 . 1 1 1 A 51 51 GLU HA H 51 4.272 4.180 0.092 1
1 522 . 1 1 1 A 51 51 GLU C C 51 176.777 176.475 0.302 1
1 523 . 1 1 1 A 51 51 GLU CA C 51 56.680 56.864 -0.184 1
1 524 . 1 1 1 A 51 51 GLU CB C 51 30.262 30.235 0.027 1
1 526 . 1 1 1 A 51 51 GLU N N 51 121.650 120.215 1.435 1
1 527 . 1 1 1 A 52 52 GLU H H 52 8.325 8.775 -0.450 1
1 528 . 1 1 1 A 52 52 GLU HA H 52 4.174 4.253 -0.079 1
1 533 . 1 1 1 A 52 52 GLU C C 52 176.178 177.199 -1.021 1
1 534 . 1 1 1 A 52 52 GLU N N 52 120.869 125.673 -4.804 1
1 535 . 1 1 1 A 53 53 ASP H H 53 8.320 7.787 0.533 1
1 536 . 1 1 1 A 53 53 ASP HA H 53 4.527 4.846 -0.319 1
1 539 . 1 1 1 A 53 53 ASP C C 53 175.650 174.941 0.709 1
1 540 . 1 1 1 A 53 53 ASP CA C 53 54.322 53.456 0.866 1
1 541 . 1 1 1 A 53 53 ASP CB C 53 41.040 40.894 0.146 1
1 542 . 1 1 1 A 53 53 ASP N N 53 119.656 116.861 2.795 1
1 543 . 1 1 1 A 54 54 ASN H H 54 8.134 8.094 0.040 1
1 544 . 1 1 1 A 54 54 ASN HA H 54 4.970 4.361 0.609 1
1 549 . 1 1 1 A 54 54 ASN CA C 54 51.120 53.845 -2.725 1
1 550 . 1 1 1 A 54 54 ASN CB C 54 39.125 37.102 2.023 1
1 551 . 1 1 1 A 54 54 ASN N N 54 118.436 114.318 4.118 1
1 553 . 1 1 1 A 55 55 PRO HA H 55 4.394 4.511 -0.117 1
1 560 . 1 1 1 A 55 55 PRO C C 55 177.514 176.883 0.631 1
1 561 . 1 1 1 A 55 55 PRO CA C 55 63.910 62.266 1.644 1
1 562 . 1 1 1 A 55 55 PRO CB C 55 32.077 33.137 -1.060 1
1 565 . 1 1 1 A 56 56 LEU H H 56 8.181 8.779 -0.598 1
1 566 . 1 1 1 A 56 56 LEU HA H 56 4.268 4.097 0.171 1
1 576 . 1 1 1 A 56 56 LEU C C 56 178.176 177.096 1.080 1
1 577 . 1 1 1 A 56 56 LEU CA C 56 55.542 57.655 -2.113 1
1 578 . 1 1 1 A 56 56 LEU CB C 56 41.783 42.380 -0.597 1
1 582 . 1 1 1 A 56 56 LEU N N 56 120.122 121.899 -1.777 1
1 583 . 1 1 1 A 57 57 GLY H H 57 8.071 7.766 0.305 1
1 584 . 1 1 1 A 57 57 GLY HA2 H 57 3.946 3.958 -0.012 1
1 585 . 1 1 1 A 57 57 GLY HA3 H 57 3.946 3.961 -0.015 1
1 586 . 1 1 1 A 57 57 GLY C C 57 174.306 174.071 0.235 1
1 587 . 1 1 1 A 57 57 GLY CA C 57 45.460 45.354 0.106 1
1 588 . 1 1 1 A 57 57 GLY N N 57 108.437 107.928 0.509 1
1 589 . 1 1 1 A 58 58 SER H H 58 8.170 8.240 -0.070 1
1 590 . 1 1 1 A 58 58 SER HA H 58 4.460 4.358 0.102 1
1 593 . 1 1 1 A 58 58 SER C C 58 174.785 174.539 0.246 1
1 594 . 1 1 1 A 58 58 SER CA C 58 58.319 58.956 -0.637 1
1 595 . 1 1 1 A 58 58 SER CB C 58 63.792 62.991 0.801 1
1 596 . 1 1 1 A 58 58 SER N N 58 115.478 115.344 0.134 1
1 597 . 1 1 1 A 59 59 LEU H H 59 8.278 8.674 -0.396 1
1 598 . 1 1 1 A 59 59 LEU HA H 59 4.384 4.471 -0.087 1
1 608 . 1 1 1 A 59 59 LEU CA C 59 55.219 56.779 -1.560 1
1 609 . 1 1 1 A 59 59 LEU CB C 59 42.377 43.584 -1.207 1
1 613 . 1 1 1 A 59 59 LEU N N 59 124.033 122.801 1.232 1
1 614 . 1 1 1 A 60 60 CYS H H 60 8.331 7.768 0.563 1
1 615 . 1 1 1 A 60 60 CYS HA H 60 4.398 4.348 0.050 1
1 618 . 1 1 1 A 60 60 CYS C C 60 174.142 174.680 -0.538 1
1 619 . 1 1 1 A 60 60 CYS CA C 60 58.505 58.916 -0.411 1
1 620 . 1 1 1 A 60 60 CYS CB C 60 27.338 26.897 0.441 1
1 621 . 1 1 1 A 60 60 CYS N N 60 120.390 115.483 4.907 1
1 622 . 1 1 1 A 61 61 ARG H H 61 8.632 8.459 0.173 1
1 623 . 1 1 1 A 61 61 ARG HA H 61 4.337 4.137 0.200 1
1 630 . 1 1 1 A 61 61 ARG C C 61 176.096 175.949 0.147 1
1 631 . 1 1 1 A 61 61 ARG CA C 61 56.003 57.269 -1.266 1
1 632 . 1 1 1 A 61 61 ARG CB C 61 30.757 31.298 -0.541 1
1 635 . 1 1 1 A 61 61 ARG N N 61 125.869 125.379 0.490 1
1 636 . 1 1 1 A 62 62 GLY H H 62 7.263 6.307 0.956 1
1 637 . 1 1 1 A 62 62 GLY HA2 H 62 3.008 3.537 -0.529 1
1 638 . 1 1 1 A 62 62 GLY HA3 H 62 3.875 3.859 0.016 1
1 639 . 1 1 1 A 62 62 GLY C C 62 170.609 171.066 -0.457 1
1 640 . 1 1 1 A 62 62 GLY CA C 62 44.808 45.048 -0.240 1
1 641 . 1 1 1 A 62 62 GLY N N 62 107.908 105.617 2.291 1
1 642 . 1 1 1 A 63 63 ILE H H 63 7.895 8.372 -0.477 1
1 643 . 1 1 1 A 63 63 ILE HA H 63 4.843 5.230 -0.387 1
1 653 . 1 1 1 A 63 63 ILE C C 63 175.450 174.968 0.482 1
1 654 . 1 1 1 A 63 63 ILE CA C 63 60.322 59.716 0.606 1
1 655 . 1 1 1 A 63 63 ILE CB C 63 41.957 42.156 -0.199 1
1 659 . 1 1 1 A 63 63 ILE N N 63 117.987 121.915 -3.928 1
1 660 . 1 1 1 A 64 64 LEU H H 64 9.429 9.241 0.188 1
1 661 . 1 1 1 A 64 64 LEU HA H 64 4.916 4.745 0.171 1
1 671 . 1 1 1 A 64 64 LEU C C 64 176.136 176.394 -0.258 1
1 672 . 1 1 1 A 64 64 LEU CA C 64 53.059 54.039 -0.980 1
1 673 . 1 1 1 A 64 64 LEU CB C 64 43.788 41.895 1.893 1
1 677 . 1 1 1 A 64 64 LEU N N 64 127.063 126.851 0.212 1
1 678 . 1 1 1 A 65 65 ASP H H 65 9.241 9.136 0.105 1
1 679 . 1 1 1 A 65 65 ASP HA H 65 4.818 4.348 0.470 1
1 682 . 1 1 1 A 65 65 ASP C C 65 177.925 176.388 1.537 1
1 683 . 1 1 1 A 65 65 ASP CA C 65 53.628 57.174 -3.546 1
1 684 . 1 1 1 A 65 65 ASP CB C 65 40.307 40.640 -0.333 1
1 685 . 1 1 1 A 65 65 ASP N N 65 122.728 125.739 -3.011 1
1 686 . 1 1 1 A 66 66 LEU H H 66 8.766 8.021 0.745 1
1 687 . 1 1 1 A 66 66 LEU HA H 66 4.212 4.132 0.080 1
1 697 . 1 1 1 A 66 66 LEU C C 66 177.167 176.633 0.534 1
1 698 . 1 1 1 A 66 66 LEU CA C 66 57.854 56.471 1.383 1
1 699 . 1 1 1 A 66 66 LEU CB C 66 41.006 40.132 0.874 1
1 703 . 1 1 1 A 66 66 LEU N N 66 126.997 116.668 10.329 1
1 704 . 1 1 1 A 67 67 ASN H H 67 8.585 8.318 0.267 1
1 705 . 1 1 1 A 67 67 ASN HA H 67 4.721 4.867 -0.146 1
1 710 . 1 1 1 A 67 67 ASN C C 67 176.583 175.684 0.899 1
1 711 . 1 1 1 A 67 67 ASN CA C 67 55.648 53.969 1.679 1
1 712 . 1 1 1 A 67 67 ASN CB C 67 38.464 39.797 -1.333 1
1 713 . 1 1 1 A 67 67 ASN N N 67 113.883 115.638 -1.755 1
1 715 . 1 1 1 A 68 68 THR H H 68 8.007 8.051 -0.044 1
1 716 . 1 1 1 A 68 68 THR HA H 68 4.513 4.650 -0.137 1
1 721 . 1 1 1 A 68 68 THR C C 68 172.870 173.592 -0.722 1
1 722 . 1 1 1 A 68 68 THR CA C 68 61.441 60.308 1.133 1
1 723 . 1 1 1 A 68 68 THR CB C 68 69.432 68.809 0.623 1
1 725 . 1 1 1 A 68 68 THR N N 68 108.340 105.912 2.428 1
1 726 . 1 1 1 A 69 69 TYR H H 69 7.560 8.163 -0.603 1
1 727 . 1 1 1 A 69 69 TYR HA H 69 5.199 5.461 -0.262 1
1 734 . 1 1 1 A 69 69 TYR C C 69 174.283 174.656 -0.373 1
1 735 . 1 1 1 A 69 69 TYR CA C 69 57.848 56.339 1.509 1
1 736 . 1 1 1 A 69 69 TYR CB C 69 44.393 43.694 0.699 1
1 741 . 1 1 1 A 69 69 TYR N N 69 119.888 121.561 -1.673 1
1 742 . 1 1 1 A 70 70 ASN H H 70 9.116 9.319 -0.203 1
1 743 . 1 1 1 A 70 70 ASN HA H 70 5.162 5.463 -0.301 1
1 748 . 1 1 1 A 70 70 ASN C C 70 174.340 173.995 0.345 1
1 749 . 1 1 1 A 70 70 ASN CA C 70 52.364 52.653 -0.289 1
1 750 . 1 1 1 A 70 70 ASN CB C 70 42.062 42.849 -0.787 1
1 751 . 1 1 1 A 70 70 ASN N N 70 116.071 117.664 -1.593 1
1 753 . 1 1 1 A 71 71 VAL H H 71 8.564 9.042 -0.478 1
1 754 . 1 1 1 A 71 71 VAL HA H 71 5.766 4.926 0.840 1
1 762 . 1 1 1 A 71 71 VAL C C 71 173.261 175.585 -2.324 1
1 763 . 1 1 1 A 71 71 VAL CA C 71 59.076 61.967 -2.891 1
1 764 . 1 1 1 A 71 71 VAL CB C 71 34.982 33.087 1.895 1
1 767 . 1 1 1 A 71 71 VAL N N 71 120.784 124.538 -3.754 1
1 768 . 1 1 1 A 72 72 VAL H H 72 9.308 8.596 0.712 1
1 769 . 1 1 1 A 72 72 VAL HA H 72 4.806 4.647 0.159 1
1 777 . 1 1 1 A 72 72 VAL C C 72 175.047 173.890 1.157 1
1 778 . 1 1 1 A 72 72 VAL CA C 72 60.330 59.778 0.552 1
1 779 . 1 1 1 A 72 72 VAL CB C 72 36.467 34.929 1.538 1
1 782 . 1 1 1 A 72 72 VAL N N 72 125.272 120.863 4.409 1
1 783 . 1 1 1 A 73 73 LYS H H 73 8.793 8.124 0.669 1
1 784 . 1 1 1 A 73 73 LYS HA H 73 4.652 3.004 1.648 1
1 793 . 1 1 1 A 73 73 LYS C C 73 176.241 174.996 1.245 1
1 794 . 1 1 1 A 73 73 LYS CA C 73 55.799 55.711 0.088 1
1 795 . 1 1 1 A 73 73 LYS CB C 73 33.452 32.138 1.314 1
1 799 . 1 1 1 A 73 73 LYS N N 73 124.197 126.515 -2.318 1
1 800 . 1 1 1 A 74 74 ALA H H 74 8.172 8.213 -0.041 1
1 801 . 1 1 1 A 74 74 ALA HA H 74 4.849 4.264 0.585 1
1 805 . 1 1 1 A 74 74 ALA CA C 74 49.540 50.220 -0.680 1
1 806 . 1 1 1 A 74 74 ALA CB C 74 17.685 18.910 -1.225 1
1 807 . 1 1 1 A 74 74 ALA N N 74 128.026 129.862 -1.836 1
1 808 . 1 1 1 A 75 75 PRO HA H 75 4.351 4.379 -0.028 1
1 815 . 1 1 1 A 75 75 PRO CA C 75 65.256 63.297 1.959 1
1 816 . 1 1 1 A 75 75 PRO CB C 75 32.158 32.312 -0.154 1
1 819 . 1 1 1 A 76 76 GLN H H 76 8.660 8.997 -0.337 1
1 820 . 1 1 1 A 76 76 GLN HA H 76 4.561 3.941 0.620 1
1 825 . 1 1 1 A 76 76 GLN C C 76 176.426 175.847 0.579 1
1 826 . 1 1 1 A 76 76 GLN CA C 76 55.168 57.310 -2.142 1
1 827 . 1 1 1 A 76 76 GLN CB C 76 28.925 26.898 2.027 1
1 829 . 1 1 1 A 76 76 GLN N N 76 116.110 116.044 0.066 1
1 830 . 1 1 1 A 77 77 GLY H H 77 7.527 8.509 -0.982 1
1 831 . 1 1 1 A 77 77 GLY HA2 H 77 3.382 3.881 -0.499 1
1 832 . 1 1 1 A 77 77 GLY HA3 H 77 4.505 3.935 0.570 1
1 833 . 1 1 1 A 77 77 GLY C C 77 172.487 172.684 -0.197 1
1 834 . 1 1 1 A 77 77 GLY CA C 77 44.852 44.754 0.098 1
1 835 . 1 1 1 A 77 77 GLY N N 77 107.608 107.386 0.222 1
1 836 . 1 1 1 A 78 78 LYS H H 78 8.123 8.392 -0.269 1
1 837 . 1 1 1 A 78 78 LYS HA H 78 4.191 4.681 -0.490 1
1 846 . 1 1 1 A 78 78 LYS C C 78 175.300 176.092 -0.792 1
1 847 . 1 1 1 A 78 78 LYS CA C 78 56.737 54.258 2.479 1
1 848 . 1 1 1 A 78 78 LYS CB C 78 35.900 35.813 0.087 1
1 852 . 1 1 1 A 78 78 LYS N N 78 117.756 118.815 -1.059 1
1 853 . 1 1 1 A 79 79 ASN H H 79 9.105 9.309 -0.204 1
1 854 . 1 1 1 A 79 79 ASN HA H 79 4.099 4.358 -0.259 1
1 859 . 1 1 1 A 79 79 ASN C C 79 175.098 174.776 0.322 1
1 860 . 1 1 1 A 79 79 ASN CA C 79 54.563 54.620 -0.057 1
1 861 . 1 1 1 A 79 79 ASN CB C 79 37.353 36.571 0.782 1
1 862 . 1 1 1 A 79 79 ASN N N 79 120.643 122.912 -2.269 1
1 864 . 1 1 1 A 80 80 GLN H H 80 8.608 8.451 0.157 1
1 865 . 1 1 1 A 80 80 GLN HA H 80 3.648 3.838 -0.190 1
1 870 . 1 1 1 A 80 80 GLN C C 80 175.327 174.705 0.622 1
1 871 . 1 1 1 A 80 80 GLN CA C 80 57.975 57.461 0.514 1
1 872 . 1 1 1 A 80 80 GLN CB C 80 26.506 27.232 -0.726 1
1 874 . 1 1 1 A 80 80 GLN N N 80 108.385 110.025 -1.640 1
1 875 . 1 1 1 A 81 81 LYS H H 81 7.608 7.539 0.069 1
1 876 . 1 1 1 A 81 81 LYS HA H 81 4.325 4.622 -0.297 1
1 885 . 1 1 1 A 81 81 LYS C C 81 176.242 175.843 0.399 1
1 886 . 1 1 1 A 81 81 LYS CA C 81 54.186 54.162 0.024 1
1 887 . 1 1 1 A 81 81 LYS CB C 81 33.385 35.223 -1.838 1
1 891 . 1 1 1 A 81 81 LYS N N 81 119.675 119.255 0.420 1
1 892 . 1 1 1 A 82 82 SER H H 82 7.692 8.740 -1.048 1
1 893 . 1 1 1 A 82 82 SER HA H 82 3.850 4.343 -0.493 1
1 896 . 1 1 1 A 82 82 SER C C 82 174.045 172.824 1.221 1
1 897 . 1 1 1 A 82 82 SER CA C 82 60.984 58.722 2.262 1
1 898 . 1 1 1 A 82 82 SER CB C 82 62.962 65.089 -2.127 1
1 899 . 1 1 1 A 82 82 SER N N 82 117.008 117.533 -0.525 1
1 900 . 1 1 1 A 83 83 PHE H H 83 8.545 7.530 1.015 1
1 901 . 1 1 1 A 83 83 PHE HA H 83 4.921 5.243 -0.322 1
1 908 . 1 1 1 A 83 83 PHE C C 83 172.686 174.584 -1.898 1
1 909 . 1 1 1 A 83 83 PHE CA C 83 55.383 56.796 -1.413 1
1 910 . 1 1 1 A 83 83 PHE CB C 83 37.774 40.728 -2.954 1
1 915 . 1 1 1 A 83 83 PHE N N 83 124.073 118.588 5.485 1
1 916 . 1 1 1 A 84 84 VAL H H 84 8.420 8.628 -0.208 1
1 917 . 1 1 1 A 84 84 VAL HA H 84 5.348 5.081 0.267 1
1 925 . 1 1 1 A 84 84 VAL C C 84 175.816 174.932 0.884 1
1 926 . 1 1 1 A 84 84 VAL CA C 84 60.177 60.413 -0.236 1
1 927 . 1 1 1 A 84 84 VAL CB C 84 37.646 36.056 1.590 1
1 930 . 1 1 1 A 84 84 VAL N N 84 123.085 123.057 0.028 1
1 931 . 1 1 1 A 85 85 PHE H H 85 8.812 8.962 -0.150 1
1 932 . 1 1 1 A 85 85 PHE HA H 85 5.510 5.245 0.265 1
1 940 . 1 1 1 A 85 85 PHE C C 85 171.610 174.969 -3.359 1
1 941 . 1 1 1 A 85 85 PHE CA C 85 55.360 55.790 -0.430 1
1 942 . 1 1 1 A 85 85 PHE CB C 85 41.424 41.986 -0.562 1
1 948 . 1 1 1 A 85 85 PHE N N 85 122.454 124.092 -1.638 1
1 949 . 1 1 1 A 86 86 ILE H H 86 9.406 9.231 0.175 1
1 950 . 1 1 1 A 86 86 ILE HA H 86 4.844 5.271 -0.427 1
1 960 . 1 1 1 A 86 86 ILE C C 86 175.559 174.717 0.842 1
1 961 . 1 1 1 A 86 86 ILE CA C 86 60.323 59.883 0.440 1
1 962 . 1 1 1 A 86 86 ILE CB C 86 42.374 41.150 1.224 1
1 966 . 1 1 1 A 86 86 ILE N N 86 120.483 122.685 -2.202 1
1 967 . 1 1 1 A 87 87 LEU H H 87 9.450 9.188 0.262 1
1 968 . 1 1 1 A 87 87 LEU HA H 87 5.238 5.543 -0.305 1
1 978 . 1 1 1 A 87 87 LEU C C 87 175.145 175.857 -0.712 1
1 979 . 1 1 1 A 87 87 LEU CA C 87 52.778 53.407 -0.629 1
1 980 . 1 1 1 A 87 87 LEU CB C 87 40.657 43.797 -3.140 1
1 984 . 1 1 1 A 87 87 LEU N N 87 126.149 127.511 -1.362 1
1 985 . 1 1 1 A 88 88 GLU H H 88 9.120 9.098 0.022 1
1 986 . 1 1 1 A 88 88 GLU HA H 88 4.986 4.962 0.024 1
1 991 . 1 1 1 A 88 88 GLU CA C 88 52.677 52.886 -0.209 1
1 992 . 1 1 1 A 88 88 GLU CB C 88 31.511 30.792 0.719 1
1 994 . 1 1 1 A 88 88 GLU N N 88 126.028 123.954 2.074 1
1 995 . 1 1 1 A 89 89 PRO HA H 89 4.239 4.069 0.170 1
1 1002 . 1 1 1 A 89 89 PRO C C 89 177.398 176.893 0.505 1
1 1003 . 1 1 1 A 89 89 PRO CA C 89 63.214 62.521 0.693 1
1 1004 . 1 1 1 A 89 89 PRO CB C 89 32.855 32.327 0.528 1
1 1007 . 1 1 1 A 90 90 LYS H H 90 8.166 8.589 -0.423 1
1 1008 . 1 1 1 A 90 90 LYS HA H 90 4.041 4.500 -0.459 1
1 1017 . 1 1 1 A 90 90 LYS C C 90 177.384 176.692 0.692 1
1 1018 . 1 1 1 A 90 90 LYS CA C 90 58.404 55.992 2.412 1
1 1019 . 1 1 1 A 90 90 LYS CB C 90 33.133 33.008 0.125 1
1 1023 . 1 1 1 A 90 90 LYS N N 90 121.350 120.913 0.437 1
1 1024 . 1 1 1 A 91 91 GLN H H 91 8.252 7.751 0.501 1
1 1025 . 1 1 1 A 91 91 GLN HA H 91 4.423 4.019 0.404 1
1 1032 . 1 1 1 A 91 91 GLN C C 91 175.039 176.930 -1.891 1
1 1033 . 1 1 1 A 91 91 GLN CA C 91 54.303 58.656 -4.353 1
1 1034 . 1 1 1 A 91 91 GLN CB C 91 29.208 29.260 -0.052 1
1 1036 . 1 1 1 A 91 91 GLN N N 91 118.759 121.125 -2.366 1
1 1038 . 1 1 1 A 92 92 GLN H H 92 8.460 7.479 0.981 1
1 1039 . 1 1 1 A 92 92 GLN HA H 92 4.057 4.584 -0.527 1
1 1044 . 1 1 1 A 92 92 GLN C C 92 177.080 176.297 0.783 1
1 1045 . 1 1 1 A 92 92 GLN CA C 92 57.446 57.067 0.379 1
1 1046 . 1 1 1 A 92 92 GLN CB C 92 28.472 30.223 -1.751 1
1 1048 . 1 1 1 A 92 92 GLN N N 92 124.928 116.679 8.249 1
1 1049 . 1 1 1 A 93 93 GLY H H 93 8.870 7.988 0.882 1
1 1050 . 1 1 1 A 93 93 GLY HA2 H 93 3.639 4.071 -0.432 1
1 1051 . 1 1 1 A 93 93 GLY HA3 H 93 4.338 4.075 0.263 1
1 1052 . 1 1 1 A 93 93 GLY C C 93 174.298 174.019 0.279 1
1 1053 . 1 1 1 A 93 93 GLY CA C 93 45.336 45.536 -0.200 1
1 1054 . 1 1 1 A 93 93 GLY N N 93 113.393 106.652 6.741 1
1 1055 . 1 1 1 A 94 94 ASP H H 94 7.546 7.515 0.031 1
1 1056 . 1 1 1 A 94 94 ASP HA H 94 5.056 4.777 0.279 1
1 1059 . 1 1 1 A 94 94 ASP CA C 94 52.662 52.690 -0.028 1
1 1060 . 1 1 1 A 94 94 ASP CB C 94 40.179 39.649 0.530 1
1 1061 . 1 1 1 A 94 94 ASP N N 94 123.111 120.302 2.809 1
1 1062 . 1 1 1 A 95 95 PRO HA H 95 4.933 4.743 0.190 1
1 1069 . 1 1 1 A 95 95 PRO CA C 95 61.243 61.458 -0.215 1
1 1070 . 1 1 1 A 95 95 PRO CB C 95 31.234 31.880 -0.646 1
1 1073 . 1 1 1 A 96 96 PRO HA H 96 5.190 5.041 0.149 1
1 1080 . 1 1 1 A 96 96 PRO C C 96 176.664 175.495 1.169 1
1 1081 . 1 1 1 A 96 96 PRO CA C 96 62.399 62.477 -0.078 1
1 1082 . 1 1 1 A 96 96 PRO CB C 96 32.850 32.991 -0.141 1
1 1085 . 1 1 1 A 97 97 VAL H H 97 8.448 8.280 0.168 1
1 1086 . 1 1 1 A 97 97 VAL HA H 97 4.145 4.695 -0.550 1
1 1094 . 1 1 1 A 97 97 VAL C C 97 174.020 174.634 -0.614 1
1 1095 . 1 1 1 A 97 97 VAL CA C 97 61.710 60.650 1.060 1
1 1096 . 1 1 1 A 97 97 VAL CB C 97 33.977 35.704 -1.727 1
1 1099 . 1 1 1 A 97 97 VAL N N 97 121.904 119.828 2.076 1
1 1100 . 1 1 1 A 98 98 GLU H H 98 8.599 8.665 -0.066 1
1 1101 . 1 1 1 A 98 98 GLU HA H 98 4.778 5.205 -0.427 1
1 1106 . 1 1 1 A 98 98 GLU C C 98 173.807 175.595 -1.788 1
1 1107 . 1 1 1 A 98 98 GLU CA C 98 55.674 55.034 0.640 1
1 1108 . 1 1 1 A 98 98 GLU CB C 98 30.827 32.618 -1.791 1
1 1110 . 1 1 1 A 98 98 GLU N N 98 126.577 126.090 0.487 1
1 1111 . 1 1 1 A 99 99 PHE H H 99 8.701 9.266 -0.565 1
1 1112 . 1 1 1 A 99 99 PHE HA H 99 5.773 5.929 -0.156 1
1 1120 . 1 1 1 A 99 99 PHE C C 99 174.648 174.798 -0.150 1
1 1121 . 1 1 1 A 99 99 PHE CA C 99 55.799 56.989 -1.190 1
1 1122 . 1 1 1 A 99 99 PHE CB C 99 44.025 44.295 -0.270 1
1 1128 . 1 1 1 A 99 99 PHE N N 99 120.755 120.944 -0.189 1
1 1129 . 1 1 1 A 100 100 ALA H H 100 8.737 8.774 -0.037 1
1 1130 . 1 1 1 A 100 100 ALA HA H 100 5.669 5.191 0.478 1
1 1134 . 1 1 1 A 100 100 ALA C C 100 176.491 176.429 0.062 1
1 1135 . 1 1 1 A 100 100 ALA CA C 100 49.850 51.598 -1.748 1
1 1136 . 1 1 1 A 100 100 ALA CB C 100 23.399 23.280 0.119 1
1 1137 . 1 1 1 A 100 100 ALA N N 100 118.211 122.120 -3.909 1
1 1138 . 1 1 1 A 101 101 THR H H 101 8.272 8.546 -0.274 1
1 1139 . 1 1 1 A 101 101 THR HA H 101 5.232 4.986 0.246 1
1 1144 . 1 1 1 A 101 101 THR C C 101 174.787 173.567 1.220 1
1 1145 . 1 1 1 A 101 101 THR CA C 101 59.068 60.376 -1.308 1
1 1146 . 1 1 1 A 101 101 THR CB C 101 70.089 72.531 -2.442 1
1 1148 . 1 1 1 A 101 101 THR N N 101 108.062 110.198 -2.136 1
1 1149 . 1 1 1 A 102 102 ASP H H 102 8.625 8.652 -0.027 1
1 1150 . 1 1 1 A 102 102 ASP HA H 102 5.009 4.915 0.094 1
1 1153 . 1 1 1 A 102 102 ASP C C 102 177.730 175.061 2.669 1
1 1154 . 1 1 1 A 102 102 ASP CA C 102 56.976 53.906 3.070 1
1 1155 . 1 1 1 A 102 102 ASP CB C 102 42.543 42.177 0.366 1
1 1156 . 1 1 1 A 102 102 ASP N N 102 118.482 118.262 0.220 1
1 1157 . 1 1 1 A 103 103 ARG H H 103 8.208 7.484 0.724 1
1 1158 . 1 1 1 A 103 103 ARG HA H 103 4.772 4.928 -0.156 1
1 1165 . 1 1 1 A 103 103 ARG C C 103 178.000 176.109 1.891 1
1 1166 . 1 1 1 A 103 103 ARG CA C 103 54.079 54.124 -0.045 1
1 1167 . 1 1 1 A 103 103 ARG CB C 103 33.914 34.536 -0.622 1
1 1170 . 1 1 1 A 103 103 ARG N N 103 116.043 117.725 -1.682 1
1 1171 . 1 1 1 A 104 104 VAL H H 104 8.516 8.800 -0.284 1
1 1172 . 1 1 1 A 104 104 VAL HA H 104 2.857 3.774 -0.917 1
1 1180 . 1 1 1 A 104 104 VAL C C 104 176.158 177.545 -1.387 1
1 1181 . 1 1 1 A 104 104 VAL CA C 104 64.625 64.806 -0.181 1
1 1182 . 1 1 1 A 104 104 VAL CB C 104 30.883 31.680 -0.797 1
1 1185 . 1 1 1 A 104 104 VAL N N 104 128.496 121.955 6.541 1
1 1186 . 1 1 1 A 105 105 GLU H H 105 9.414 8.206 1.208 1
1 1187 . 1 1 1 A 105 105 GLU HA H 105 3.989 4.098 -0.109 1
1 1192 . 1 1 1 A 105 105 GLU C C 105 179.982 179.434 0.548 1
1 1193 . 1 1 1 A 105 105 GLU CA C 105 60.599 59.615 0.984 1
1 1194 . 1 1 1 A 105 105 GLU CB C 105 27.973 29.413 -1.440 1
1 1196 . 1 1 1 A 105 105 GLU N N 105 121.934 121.948 -0.014 1
1 1197 . 1 1 1 A 106 106 GLU H H 106 6.769 8.275 -1.506 1
1 1198 . 1 1 1 A 106 106 GLU HA H 106 4.370 4.096 0.274 1
1 1203 . 1 1 1 A 106 106 GLU C C 106 178.312 179.292 -0.980 1
1 1204 . 1 1 1 A 106 106 GLU CA C 106 58.503 59.257 -0.754 1
1 1205 . 1 1 1 A 106 106 GLU CB C 106 30.657 29.080 1.577 1
1 1207 . 1 1 1 A 106 106 GLU N N 106 116.721 120.729 -4.008 1
1 1208 . 1 1 1 A 107 107 LEU H H 107 7.161 7.455 -0.294 1
1 1209 . 1 1 1 A 107 107 LEU HA H 107 4.040 4.151 -0.111 1
1 1219 . 1 1 1 A 107 107 LEU C C 107 177.985 178.381 -0.396 1
1 1220 . 1 1 1 A 107 107 LEU CA C 107 58.930 58.138 0.792 1
1 1221 . 1 1 1 A 107 107 LEU CB C 107 40.058 42.072 -2.014 1
1 1225 . 1 1 1 A 107 107 LEU N N 107 122.171 122.266 -0.095 1
1 1226 . 1 1 1 A 108 108 PHE H H 108 7.986 8.420 -0.434 1
1 1227 . 1 1 1 A 108 108 PHE HA H 108 4.199 4.054 0.145 1
1 1234 . 1 1 1 A 108 108 PHE C C 108 178.069 178.090 -0.021 1
1 1235 . 1 1 1 A 108 108 PHE CA C 108 61.167 61.470 -0.303 1
1 1236 . 1 1 1 A 108 108 PHE CB C 108 38.208 38.231 -0.023 1
1 1241 . 1 1 1 A 108 108 PHE N N 108 116.696 118.121 -1.425 1
1 1242 . 1 1 1 A 109 109 GLU H H 109 7.719 8.640 -0.921 1
1 1243 . 1 1 1 A 109 109 GLU HA H 109 3.951 4.050 -0.099 1
1 1248 . 1 1 1 A 109 109 GLU C C 109 179.858 179.037 0.821 1
1 1249 . 1 1 1 A 109 109 GLU CA C 109 59.664 59.122 0.542 1
1 1250 . 1 1 1 A 109 109 GLU CB C 109 29.923 29.756 0.167 1
1 1252 . 1 1 1 A 109 109 GLU N N 109 119.214 120.965 -1.751 1
1 1253 . 1 1 1 A 110 110 TRP H H 110 8.445 7.997 0.448 1
1 1254 . 1 1 1 A 110 110 TRP HA H 110 3.634 4.214 -0.580 1
1 1263 . 1 1 1 A 110 110 TRP C C 110 177.691 178.832 -1.141 1
1 1264 . 1 1 1 A 110 110 TRP CA C 110 62.078 60.151 1.927 1
1 1265 . 1 1 1 A 110 110 TRP CB C 110 29.275 29.184 0.091 1
1 1271 . 1 1 1 A 110 110 TRP N N 110 120.045 120.678 -0.633 1
1 1273 . 1 1 1 A 111 111 PHE H H 111 8.668 7.902 0.766 1
1 1274 . 1 1 1 A 111 111 PHE HA H 111 3.436 4.096 -0.660 1
1 1282 . 1 1 1 A 111 111 PHE C C 111 176.547 177.893 -1.346 1
1 1283 . 1 1 1 A 111 111 PHE CA C 111 62.182 61.145 1.037 1
1 1284 . 1 1 1 A 111 111 PHE CB C 111 39.904 37.333 2.571 1
1 1290 . 1 1 1 A 111 111 PHE N N 111 117.907 118.108 -0.201 1
1 1291 . 1 1 1 A 112 112 GLN H H 112 8.254 8.061 0.193 1
1 1292 . 1 1 1 A 112 112 GLN HA H 112 3.685 3.991 -0.306 1
1 1299 . 1 1 1 A 112 112 GLN C C 112 178.503 178.019 0.484 1
1 1300 . 1 1 1 A 112 112 GLN CA C 112 58.624 58.776 -0.152 1
1 1301 . 1 1 1 A 112 112 GLN CB C 112 27.980 28.673 -0.693 1
1 1303 . 1 1 1 A 112 112 GLN N N 112 116.394 121.341 -4.947 1
1 1305 . 1 1 1 A 113 113 SER H H 113 7.741 7.332 0.409 1
1 1306 . 1 1 1 A 113 113 SER HA H 113 4.036 4.227 -0.191 1
1 1309 . 1 1 1 A 113 113 SER C C 113 176.428 177.487 -1.059 1
1 1310 . 1 1 1 A 113 113 SER CA C 113 62.062 61.353 0.709 1
1 1311 . 1 1 1 A 113 113 SER CB C 113 62.655 62.805 -0.150 1
1 1312 . 1 1 1 A 113 113 SER N N 113 114.734 114.397 0.337 1
1 1313 . 1 1 1 A 114 114 ILE H H 114 7.915 7.695 0.220 1
1 1314 . 1 1 1 A 114 114 ILE HA H 114 3.559 3.668 -0.109 1
1 1324 . 1 1 1 A 114 114 ILE C C 114 178.594 178.367 0.227 1
1 1325 . 1 1 1 A 114 114 ILE CA C 114 65.364 65.047 0.317 1
1 1326 . 1 1 1 A 114 114 ILE CB C 114 38.395 37.437 0.958 1
1 1330 . 1 1 1 A 114 114 ILE N N 114 119.893 121.249 -1.356 1
1 1331 . 1 1 1 A 115 115 ARG H H 115 8.581 7.950 0.631 1
1 1332 . 1 1 1 A 115 115 ARG HA H 115 3.881 4.313 -0.432 1
1 1339 . 1 1 1 A 115 115 ARG C C 115 177.921 179.311 -1.390 1
1 1340 . 1 1 1 A 115 115 ARG CA C 115 58.689 59.630 -0.941 1
1 1341 . 1 1 1 A 115 115 ARG CB C 115 29.134 29.850 -0.716 1
1 1344 . 1 1 1 A 115 115 ARG N N 115 123.090 121.156 1.934 1
1 1345 . 1 1 1 A 116 116 GLU H H 116 7.653 8.095 -0.442 1
1 1346 . 1 1 1 A 116 116 GLU HA H 116 3.959 4.172 -0.213 1
1 1351 . 1 1 1 A 116 116 GLU C C 116 178.178 177.452 0.726 1
1 1352 . 1 1 1 A 116 116 GLU CA C 116 58.767 58.843 -0.076 1
1 1353 . 1 1 1 A 116 116 GLU CB C 116 29.501 29.596 -0.095 1
1 1355 . 1 1 1 A 116 116 GLU N N 116 116.356 119.102 -2.746 1
1 1356 . 1 1 1 A 117 117 ILE H H 117 7.334 7.689 -0.355 1
1 1357 . 1 1 1 A 117 117 ILE HA H 117 3.909 4.126 -0.217 1
1 1367 . 1 1 1 A 117 117 ILE C C 117 177.733 177.527 0.206 1
1 1368 . 1 1 1 A 117 117 ILE CA C 117 63.443 62.781 0.662 1
1 1369 . 1 1 1 A 117 117 ILE CB C 117 39.059 39.507 -0.448 1
1 1373 . 1 1 1 A 117 117 ILE N N 117 117.514 117.563 -0.049 1
1 1374 . 1 1 1 A 118 118 THR H H 118 8.075 7.663 0.412 1
1 1375 . 1 1 1 A 118 118 THR HA H 118 4.367 4.404 -0.037 1
1 1380 . 1 1 1 A 118 118 THR C C 118 176.050 175.785 0.265 1
1 1381 . 1 1 1 A 118 118 THR CA C 118 63.494 64.115 -0.621 1
1 1382 . 1 1 1 A 118 118 THR CB C 118 70.326 69.695 0.631 1
1 1384 . 1 1 1 A 118 118 THR N N 118 109.879 112.193 -2.314 1
1 1385 . 1 1 1 A 119 119 TRP H H 119 8.283 8.299 -0.016 1
1 1386 . 1 1 1 A 119 119 TRP HA H 119 4.792 4.238 0.554 1
1 1395 . 1 1 1 A 119 119 TRP C C 119 175.855 175.330 0.525 1
1 1396 . 1 1 1 A 119 119 TRP CA C 119 57.464 60.613 -3.149 1
1 1397 . 1 1 1 A 119 119 TRP CB C 119 29.488 29.931 -0.443 1
1 1403 . 1 1 1 A 119 119 TRP N N 119 124.034 123.873 0.161 1
1 1405 . 1 1 1 A 120 120 LYS H H 120 7.723 7.676 0.047 1
1 1406 . 1 1 1 A 120 120 LYS HA H 120 4.198 4.669 -0.471 1
1 1415 . 1 1 1 A 120 120 LYS C C 120 176.162 174.915 1.247 1
1 1416 . 1 1 1 A 120 120 LYS CA C 120 56.049 54.927 1.122 1
1 1417 . 1 1 1 A 120 120 LYS CB C 120 32.924 35.464 -2.540 1
1 1421 . 1 1 1 A 120 120 LYS N N 120 123.166 116.595 6.571 1
1 1422 . 1 1 1 A 121 121 ILE H H 121 7.874 8.708 -0.834 1
1 1423 . 1 1 1 A 121 121 ILE HA H 121 4.035 4.814 -0.779 1
1 1433 . 1 1 1 A 121 121 ILE C C 121 175.950 173.738 2.212 1
1 1434 . 1 1 1 A 121 121 ILE CA C 121 61.120 59.306 1.814 1
1 1435 . 1 1 1 A 121 121 ILE CB C 121 38.708 40.649 -1.941 1
1 1439 . 1 1 1 A 121 121 ILE N N 121 121.301 118.796 2.505 1
1 1440 . 1 1 1 A 122 122 ASP H H 122 8.317 9.050 -0.733 1
1 1441 . 1 1 1 A 122 122 ASP HA H 122 4.677 5.180 -0.503 1
1 1444 . 1 1 1 A 122 122 ASP C C 122 176.278 174.889 1.389 1
1 1445 . 1 1 1 A 122 122 ASP CA C 122 54.157 52.873 1.284 1
1 1446 . 1 1 1 A 122 122 ASP CB C 122 41.316 42.392 -1.076 1
1 1447 . 1 1 1 A 122 122 ASP N N 122 124.058 128.170 -4.112 1
1 1448 . 1 1 1 A 123 123 THR H H 123 8.003 8.845 -0.842 1
1 1449 . 1 1 1 A 123 123 THR HA H 123 4.307 4.953 -0.646 1
1 1454 . 1 1 1 A 123 123 THR C C 123 173.831 173.600 0.231 1
1 1455 . 1 1 1 A 123 123 THR CA C 123 61.715 61.570 0.145 1
1 1456 . 1 1 1 A 123 123 THR CB C 123 69.736 71.186 -1.450 1
1 1458 . 1 1 1 A 123 123 THR N N 123 114.853 120.448 -5.595 1
1 2 . 2 1 1 A 9 9 LYS H H 9 8.338 8.748 -0.410 1
1 3 . 2 1 1 A 9 9 LYS C C 9 176.402 174.235 2.167 1
1 4 . 2 1 1 A 9 9 LYS N N 9 122.857 118.573 4.284 1
1 5 . 2 1 1 A 10 10 ASP H H 10 8.335 8.867 -0.532 1
1 6 . 2 1 1 A 10 10 ASP HA H 10 4.562 5.163 -0.601 1
1 9 . 2 1 1 A 10 10 ASP C C 10 176.123 175.715 0.408 1
1 10 . 2 1 1 A 10 10 ASP CA C 10 54.344 53.233 1.111 1
1 11 . 2 1 1 A 10 10 ASP CB C 10 41.227 44.777 -3.550 1
1 12 . 2 1 1 A 10 10 ASP N N 10 121.507 119.454 2.053 1
1 13 . 2 1 1 A 11 11 GLU H H 11 8.231 8.938 -0.707 1
1 14 . 2 1 1 A 11 11 GLU HA H 11 4.222 4.326 -0.104 1
1 19 . 2 1 1 A 11 11 GLU CA C 11 56.356 57.895 -1.539 1
1 20 . 2 1 1 A 11 11 GLU CB C 11 30.439 30.876 -0.437 1
1 22 . 2 1 1 A 11 11 GLU N N 11 121.321 123.653 -2.332 1
1 23 . 2 1 1 A 12 12 HIS H H 12 8.431 7.961 0.470 1
1 24 . 2 1 1 A 12 12 HIS HA H 12 4.618 4.985 -0.367 1
1 28 . 2 1 1 A 12 12 HIS C C 12 174.980 173.870 1.110 1
1 29 . 2 1 1 A 12 12 HIS CA C 12 55.952 54.322 1.630 1
1 30 . 2 1 1 A 12 12 HIS CB C 12 30.058 32.777 -2.719 1
1 32 . 2 1 1 A 12 12 HIS N N 12 120.447 113.220 7.227 1
1 33 . 2 1 1 A 13 13 LYS H H 13 8.191 8.757 -0.566 1
1 34 . 2 1 1 A 13 13 LYS HA H 13 4.355 3.768 0.587 1
1 43 . 2 1 1 A 13 13 LYS C C 13 175.327 175.522 -0.195 1
1 44 . 2 1 1 A 13 13 LYS CA C 13 55.620 56.646 -1.026 1
1 45 . 2 1 1 A 13 13 LYS CB C 13 33.729 31.183 2.546 1
1 49 . 2 1 1 A 13 13 LYS N N 13 124.365 117.193 7.172 1
1 50 . 2 1 1 A 14 14 GLN H H 14 8.229 8.408 -0.179 1
1 51 . 2 1 1 A 14 14 GLN HA H 14 4.037 4.220 -0.183 1
1 58 . 2 1 1 A 14 14 GLN C C 14 173.432 174.872 -1.440 1
1 59 . 2 1 1 A 14 14 GLN CA C 14 54.613 55.407 -0.794 1
1 60 . 2 1 1 A 14 14 GLN CB C 14 29.096 28.533 0.563 1
1 62 . 2 1 1 A 14 14 GLN N N 14 123.823 121.819 2.004 1
1 64 . 2 1 1 A 15 15 GLN H H 15 7.896 8.260 -0.364 1
1 65 . 2 1 1 A 15 15 GLN HA H 15 5.459 5.321 0.138 1
1 70 . 2 1 1 A 15 15 GLN C C 15 174.263 175.658 -1.395 1
1 71 . 2 1 1 A 15 15 GLN CA C 15 54.506 54.204 0.302 1
1 72 . 2 1 1 A 15 15 GLN CB C 15 31.418 32.082 -0.664 1
1 74 . 2 1 1 A 15 15 GLN N N 15 121.452 123.069 -1.617 1
1 75 . 2 1 1 A 16 16 GLY H H 16 8.795 8.405 0.390 1
1 76 . 2 1 1 A 16 16 GLY HA2 H 16 4.056 4.230 -0.174 1
1 77 . 2 1 1 A 16 16 GLY HA3 H 16 4.801 4.467 0.334 1
1 78 . 2 1 1 A 16 16 GLY C C 16 171.456 171.441 0.015 1
1 79 . 2 1 1 A 16 16 GLY CA C 16 44.773 46.275 -1.502 1
1 80 . 2 1 1 A 16 16 GLY N N 16 107.937 110.194 -2.257 1
1 81 . 2 1 1 A 17 17 GLU H H 17 8.718 8.546 0.172 1
1 82 . 2 1 1 A 17 17 GLU HA H 17 5.220 5.195 0.025 1
1 87 . 2 1 1 A 17 17 GLU C C 17 176.562 174.895 1.667 1
1 88 . 2 1 1 A 17 17 GLU CA C 17 55.880 54.554 1.326 1
1 89 . 2 1 1 A 17 17 GLU CB C 17 30.995 33.349 -2.354 1
1 91 . 2 1 1 A 17 17 GLU N N 17 119.686 121.762 -2.076 1
1 92 . 2 1 1 A 18 18 LEU H H 18 8.806 8.377 0.429 1
1 93 . 2 1 1 A 18 18 LEU HA H 18 4.652 4.645 0.007 1
1 103 . 2 1 1 A 18 18 LEU C C 18 176.851 174.700 2.151 1
1 104 . 2 1 1 A 18 18 LEU CA C 18 53.786 53.074 0.712 1
1 105 . 2 1 1 A 18 18 LEU CB C 18 47.961 46.002 1.959 1
1 109 . 2 1 1 A 18 18 LEU N N 18 122.158 123.153 -0.995 1
1 110 . 2 1 1 A 19 19 TYR H H 19 8.833 8.169 0.664 1
1 111 . 2 1 1 A 19 19 TYR HA H 19 5.837 5.699 0.138 1
1 118 . 2 1 1 A 19 19 TYR C C 19 176.038 175.498 0.540 1
1 119 . 2 1 1 A 19 19 TYR CA C 19 56.750 57.054 -0.304 1
1 120 . 2 1 1 A 19 19 TYR CB C 19 40.531 41.711 -1.180 1
1 125 . 2 1 1 A 19 19 TYR N N 19 117.278 121.751 -4.473 1
1 126 . 2 1 1 A 20 20 MET H H 20 9.743 9.296 0.447 1
1 127 . 2 1 1 A 20 20 MET HA H 20 5.207 5.227 -0.020 1
1 135 . 2 1 1 A 20 20 MET C C 20 175.349 174.774 0.575 1
1 136 . 2 1 1 A 20 20 MET CA C 20 54.611 54.560 0.051 1
1 137 . 2 1 1 A 20 20 MET CB C 20 37.352 36.497 0.855 1
1 140 . 2 1 1 A 20 20 MET N N 20 120.128 120.082 0.046 1
1 141 . 2 1 1 A 21 21 TRP H H 21 8.142 8.218 -0.076 1
1 142 . 2 1 1 A 21 21 TRP HA H 21 4.084 3.686 0.398 1
1 150 . 2 1 1 A 21 21 TRP C C 21 174.752 174.494 0.258 1
1 151 . 2 1 1 A 21 21 TRP CA C 21 56.246 58.085 -1.839 1
1 152 . 2 1 1 A 21 21 TRP CB C 21 29.682 29.609 0.073 1
1 157 . 2 1 1 A 21 21 TRP N N 21 126.799 125.385 1.414 1
1 159 . 2 1 1 A 22 22 ASP H H 22 8.034 7.770 0.264 1
1 160 . 2 1 1 A 22 22 ASP HA H 22 4.417 4.562 -0.145 1
1 163 . 2 1 1 A 22 22 ASP C C 22 175.814 175.915 -0.101 1
1 164 . 2 1 1 A 22 22 ASP CA C 22 52.020 52.636 -0.616 1
1 165 . 2 1 1 A 22 22 ASP CB C 22 41.748 41.228 0.520 1
1 166 . 2 1 1 A 22 22 ASP N N 22 129.313 127.096 2.217 1
1 167 . 2 1 1 A 23 23 SER H H 23 8.331 8.392 -0.061 1
1 168 . 2 1 1 A 23 23 SER HA H 23 3.719 3.856 -0.137 1
1 171 . 2 1 1 A 23 23 SER C C 23 175.145 175.861 -0.716 1
1 172 . 2 1 1 A 23 23 SER CA C 23 59.732 60.438 -0.706 1
1 173 . 2 1 1 A 23 23 SER CB C 23 63.304 62.911 0.393 1
1 174 . 2 1 1 A 23 23 SER N N 23 119.796 118.519 1.277 1
1 175 . 2 1 1 A 24 24 ILE H H 24 8.044 7.593 0.451 1
1 176 . 2 1 1 A 24 24 ILE HA H 24 3.849 3.745 0.104 1
1 186 . 2 1 1 A 24 24 ILE C C 24 177.615 176.921 0.694 1
1 187 . 2 1 1 A 24 24 ILE CA C 24 63.257 64.630 -1.373 1
1 188 . 2 1 1 A 24 24 ILE CB C 24 36.400 38.579 -2.179 1
1 192 . 2 1 1 A 24 24 ILE N N 24 124.085 121.818 2.267 1
1 193 . 2 1 1 A 25 25 ASP H H 25 7.641 7.682 -0.041 1
1 194 . 2 1 1 A 25 25 ASP HA H 25 4.492 4.671 -0.179 1
1 197 . 2 1 1 A 25 25 ASP C C 25 175.486 175.133 0.353 1
1 198 . 2 1 1 A 25 25 ASP CA C 25 54.313 53.237 1.076 1
1 199 . 2 1 1 A 25 25 ASP CB C 25 40.789 41.657 -0.868 1
1 200 . 2 1 1 A 25 25 ASP N N 25 118.371 118.335 0.036 1
1 201 . 2 1 1 A 26 26 GLN H H 26 7.340 7.545 -0.205 1
1 202 . 2 1 1 A 26 26 GLN HA H 26 2.828 3.449 -0.621 1
1 209 . 2 1 1 A 26 26 GLN C C 26 173.882 174.575 -0.693 1
1 210 . 2 1 1 A 26 26 GLN CA C 26 55.956 56.594 -0.638 1
1 211 . 2 1 1 A 26 26 GLN CB C 26 25.070 26.759 -1.689 1
1 213 . 2 1 1 A 26 26 GLN N N 26 116.358 116.053 0.305 1
1 215 . 2 1 1 A 27 27 LYS H H 27 6.283 6.601 -0.318 1
1 216 . 2 1 1 A 27 27 LYS HA H 27 4.395 4.904 -0.509 1
1 225 . 2 1 1 A 27 27 LYS C C 27 173.510 174.148 -0.638 1
1 226 . 2 1 1 A 27 27 LYS CA C 27 54.164 55.084 -0.920 1
1 227 . 2 1 1 A 27 27 LYS CB C 27 35.825 34.215 1.610 1
1 231 . 2 1 1 A 27 27 LYS N N 27 114.611 113.619 0.992 1
1 232 . 2 1 1 A 28 28 TRP H H 28 8.751 8.756 -0.005 1
1 233 . 2 1 1 A 28 28 TRP HA H 28 5.383 5.674 -0.291 1
1 242 . 2 1 1 A 28 28 TRP C C 28 177.411 176.460 0.951 1
1 243 . 2 1 1 A 28 28 TRP CA C 28 55.957 55.461 0.496 1
1 244 . 2 1 1 A 28 28 TRP CB C 28 30.752 31.451 -0.699 1
1 250 . 2 1 1 A 28 28 TRP N N 28 121.520 119.375 2.145 1
1 252 . 2 1 1 A 29 29 THR H H 29 9.413 9.121 0.292 1
1 253 . 2 1 1 A 29 29 THR HA H 29 4.852 5.028 -0.176 1
1 258 . 2 1 1 A 29 29 THR C C 29 173.520 172.563 0.957 1
1 259 . 2 1 1 A 29 29 THR CA C 29 60.308 59.675 0.633 1
1 260 . 2 1 1 A 29 29 THR CB C 29 69.736 71.256 -1.520 1
1 262 . 2 1 1 A 29 29 THR N N 29 117.059 113.967 3.092 1
1 263 . 2 1 1 A 30 30 ARG H H 30 9.117 8.631 0.486 1
1 264 . 2 1 1 A 30 30 ARG HA H 30 4.790 4.452 0.338 1
1 272 . 2 1 1 A 30 30 ARG C C 30 174.447 174.966 -0.519 1
1 273 . 2 1 1 A 30 30 ARG CA C 30 55.949 54.892 1.057 1
1 274 . 2 1 1 A 30 30 ARG CB C 30 33.388 31.303 2.085 1
1 277 . 2 1 1 A 30 30 ARG N N 30 126.027 121.794 4.233 1
1 278 . 2 1 1 A 31 31 HIS H H 31 9.011 8.734 0.277 1
1 279 . 2 1 1 A 31 31 HIS HA H 31 4.636 5.150 -0.514 1
1 282 . 2 1 1 A 31 31 HIS C C 31 173.947 173.648 0.299 1
1 283 . 2 1 1 A 31 31 HIS CA C 31 55.185 54.606 0.579 1
1 284 . 2 1 1 A 31 31 HIS CB C 31 33.332 33.809 -0.477 1
1 285 . 2 1 1 A 31 31 HIS N N 31 121.017 124.530 -3.513 1
1 286 . 2 1 1 A 32 32 TYR H H 32 9.361 9.031 0.330 1
1 287 . 2 1 1 A 32 32 TYR HA H 32 4.745 5.175 -0.430 1
1 294 . 2 1 1 A 32 32 TYR C C 32 176.298 174.354 1.944 1
1 295 . 2 1 1 A 32 32 TYR CA C 32 59.316 56.504 2.812 1
1 296 . 2 1 1 A 32 32 TYR CB C 32 39.341 40.264 -0.923 1
1 301 . 2 1 1 A 32 32 TYR N N 32 124.440 123.183 1.257 1
1 302 . 2 1 1 A 33 33 CYS H H 33 8.750 8.173 0.577 1
1 303 . 2 1 1 A 33 33 CYS HA H 33 5.857 5.077 0.780 1
1 306 . 2 1 1 A 33 33 CYS C C 33 172.735 174.057 -1.322 1
1 307 . 2 1 1 A 33 33 CYS CA C 33 57.108 57.771 -0.663 1
1 308 . 2 1 1 A 33 33 CYS CB C 33 32.779 29.500 3.279 1
1 309 . 2 1 1 A 33 33 CYS N N 33 127.462 126.900 0.562 1
1 310 . 2 1 1 A 34 34 ALA H H 34 8.565 8.928 -0.363 1
1 311 . 2 1 1 A 34 34 ALA HA H 34 5.290 4.939 0.351 1
1 315 . 2 1 1 A 34 34 ALA C C 34 176.215 175.702 0.513 1
1 316 . 2 1 1 A 34 34 ALA CA C 34 51.773 52.051 -0.278 1
1 317 . 2 1 1 A 34 34 ALA CB C 34 23.139 21.057 2.082 1
1 318 . 2 1 1 A 34 34 ALA N N 34 121.115 122.662 -1.547 1
1 319 . 2 1 1 A 35 35 ILE H H 35 8.413 9.230 -0.817 1
1 320 . 2 1 1 A 35 35 ILE HA H 35 5.275 4.931 0.344 1
1 330 . 2 1 1 A 35 35 ILE C C 35 175.768 175.067 0.701 1
1 331 . 2 1 1 A 35 35 ILE CA C 35 60.105 60.453 -0.348 1
1 332 . 2 1 1 A 35 35 ILE CB C 35 39.737 38.142 1.595 1
1 336 . 2 1 1 A 35 35 ILE N N 35 120.176 124.051 -3.875 1
1 337 . 2 1 1 A 36 36 ALA H H 36 8.666 8.658 0.008 1
1 338 . 2 1 1 A 36 36 ALA HA H 36 4.581 4.756 -0.175 1
1 342 . 2 1 1 A 36 36 ALA CA C 36 52.028 50.908 1.120 1
1 343 . 2 1 1 A 36 36 ALA CB C 36 21.365 20.654 0.711 1
1 344 . 2 1 1 A 36 36 ALA N N 36 129.732 131.491 -1.759 1
1 345 . 2 1 1 A 37 37 ASP H H 37 9.379 8.948 0.431 1
1 346 . 2 1 1 A 37 37 ASP HA H 37 4.228 4.247 -0.019 1
1 349 . 2 1 1 A 37 37 ASP C C 37 174.579 175.651 -1.072 1
1 350 . 2 1 1 A 37 37 ASP CA C 37 55.822 56.512 -0.690 1
1 351 . 2 1 1 A 37 37 ASP CB C 37 39.784 39.501 0.283 1
1 352 . 2 1 1 A 37 37 ASP N N 37 124.926 119.335 5.591 1
1 353 . 2 1 1 A 38 38 ALA H H 38 8.710 8.290 0.420 1
1 354 . 2 1 1 A 38 38 ALA HA H 38 3.911 4.520 -0.609 1
1 358 . 2 1 1 A 38 38 ALA C C 38 174.866 176.618 -1.752 1
1 359 . 2 1 1 A 38 38 ALA CA C 38 53.040 51.641 1.399 1
1 360 . 2 1 1 A 38 38 ALA CB C 38 17.654 20.811 -3.157 1
1 361 . 2 1 1 A 38 38 ALA N N 38 115.547 124.258 -8.711 1
1 362 . 2 1 1 A 39 39 LYS H H 39 8.054 7.858 0.196 1
1 363 . 2 1 1 A 39 39 LYS HA H 39 5.247 4.987 0.260 1
1 372 . 2 1 1 A 39 39 LYS C C 39 175.201 174.682 0.519 1
1 373 . 2 1 1 A 39 39 LYS CA C 39 54.583 54.746 -0.163 1
1 374 . 2 1 1 A 39 39 LYS CB C 39 34.824 35.766 -0.942 1
1 378 . 2 1 1 A 39 39 LYS N N 39 117.589 116.883 0.706 1
1 379 . 2 1 1 A 40 40 LEU H H 40 9.090 8.620 0.470 1
1 380 . 2 1 1 A 40 40 LEU HA H 40 5.353 5.162 0.191 1
1 390 . 2 1 1 A 40 40 LEU C C 40 175.382 175.211 0.171 1
1 391 . 2 1 1 A 40 40 LEU CA C 40 53.987 53.482 0.505 1
1 392 . 2 1 1 A 40 40 LEU CB C 40 45.718 45.410 0.308 1
1 396 . 2 1 1 A 40 40 LEU N N 40 126.300 124.668 1.632 1
1 397 . 2 1 1 A 41 41 SER H H 41 9.539 8.808 0.731 1
1 398 . 2 1 1 A 41 41 SER HA H 41 5.493 5.711 -0.218 1
1 401 . 2 1 1 A 41 41 SER C C 41 173.435 173.827 -0.392 1
1 402 . 2 1 1 A 41 41 SER CA C 41 56.816 56.867 -0.051 1
1 403 . 2 1 1 A 41 41 SER CB C 41 65.706 64.787 0.919 1
1 404 . 2 1 1 A 41 41 SER N N 41 123.399 121.745 1.654 1
1 405 . 2 1 1 A 42 42 PHE H H 42 8.344 8.447 -0.103 1
1 406 . 2 1 1 A 42 42 PHE HA H 42 5.888 5.577 0.311 1
1 414 . 2 1 1 A 42 42 PHE C C 42 175.198 175.450 -0.252 1
1 415 . 2 1 1 A 42 42 PHE CA C 42 54.335 55.517 -1.182 1
1 416 . 2 1 1 A 42 42 PHE CB C 42 43.360 41.220 2.140 1
1 422 . 2 1 1 A 42 42 PHE N N 42 117.935 120.037 -2.102 1
1 423 . 2 1 1 A 43 43 SER H H 43 8.843 8.690 0.153 1
1 424 . 2 1 1 A 43 43 SER HA H 43 4.918 5.116 -0.198 1
1 427 . 2 1 1 A 43 43 SER C C 43 175.040 173.700 1.340 1
1 428 . 2 1 1 A 43 43 SER CA C 43 58.215 57.478 0.737 1
1 429 . 2 1 1 A 43 43 SER CB C 43 66.789 65.217 1.572 1
1 430 . 2 1 1 A 43 43 SER N N 43 117.280 119.523 -2.243 1
1 431 . 2 1 1 A 44 44 ASP H H 44 8.818 8.546 0.272 1
1 432 . 2 1 1 A 44 44 ASP HA H 44 4.909 4.625 0.284 1
1 435 . 2 1 1 A 44 44 ASP C C 44 175.955 175.602 0.353 1
1 436 . 2 1 1 A 44 44 ASP CA C 44 54.815 53.768 1.047 1
1 437 . 2 1 1 A 44 44 ASP CB C 44 41.729 41.255 0.474 1
1 438 . 2 1 1 A 44 44 ASP N N 44 120.846 122.971 -2.125 1
1 439 . 2 1 1 A 45 45 ASP H H 45 8.726 8.630 0.096 1
1 440 . 2 1 1 A 45 45 ASP HA H 45 4.273 4.798 -0.525 1
1 443 . 2 1 1 A 45 45 ASP C C 45 177.889 177.523 0.366 1
1 444 . 2 1 1 A 45 45 ASP CA C 45 54.145 54.932 -0.787 1
1 445 . 2 1 1 A 45 45 ASP CB C 45 41.329 41.558 -0.229 1
1 446 . 2 1 1 A 45 45 ASP N N 45 120.848 120.613 0.235 1
1 447 . 2 1 1 A 46 46 ILE H H 46 8.369 8.070 0.299 1
1 448 . 2 1 1 A 46 46 ILE HA H 46 4.079 4.305 -0.226 1
1 458 . 2 1 1 A 46 46 ILE C C 46 177.339 176.497 0.842 1
1 459 . 2 1 1 A 46 46 ILE CA C 46 62.357 61.390 0.967 1
1 460 . 2 1 1 A 46 46 ILE CB C 46 38.708 38.492 0.216 1
1 464 . 2 1 1 A 46 46 ILE N N 46 123.832 118.158 5.674 1
1 465 . 2 1 1 A 47 47 GLU H H 47 8.577 8.000 0.577 1
1 466 . 2 1 1 A 47 47 GLU HA H 47 4.258 4.524 -0.266 1
1 471 . 2 1 1 A 47 47 GLU C C 47 177.164 177.193 -0.029 1
1 472 . 2 1 1 A 47 47 GLU CA C 47 57.249 56.716 0.533 1
1 473 . 2 1 1 A 47 47 GLU CB C 47 29.900 32.066 -2.166 1
1 475 . 2 1 1 A 47 47 GLU N N 47 122.294 118.922 3.372 1
1 476 . 2 1 1 A 48 48 GLN H H 48 7.894 8.060 -0.166 1
1 477 . 2 1 1 A 48 48 GLN HA H 48 4.365 4.696 -0.331 1
1 484 . 2 1 1 A 48 48 GLN C C 48 176.278 176.290 -0.012 1
1 485 . 2 1 1 A 48 48 GLN CA C 48 55.830 55.471 0.359 1
1 486 . 2 1 1 A 48 48 GLN CB C 48 29.383 29.236 0.147 1
1 488 . 2 1 1 A 48 48 GLN N N 48 118.968 118.540 0.428 1
1 490 . 2 1 1 A 49 49 THR H H 49 8.048 7.756 0.292 1
1 491 . 2 1 1 A 49 49 THR HA H 49 4.331 3.939 0.392 1
1 496 . 2 1 1 A 49 49 THR C C 49 174.784 174.823 -0.039 1
1 497 . 2 1 1 A 49 49 THR CA C 49 62.135 65.396 -3.261 1
1 498 . 2 1 1 A 49 49 THR CB C 49 69.736 68.603 1.133 1
1 500 . 2 1 1 A 49 49 THR N N 49 114.601 113.375 1.226 1
1 501 . 2 1 1 A 50 50 MET H H 50 8.409 8.019 0.390 1
1 502 . 2 1 1 A 50 50 MET HA H 50 4.510 4.156 0.354 1
1 510 . 2 1 1 A 50 50 MET C C 50 176.451 174.745 1.706 1
1 511 . 2 1 1 A 50 50 MET CA C 50 55.601 55.890 -0.289 1
1 512 . 2 1 1 A 50 50 MET CB C 50 32.850 31.185 1.665 1
1 515 . 2 1 1 A 50 50 MET N N 50 122.660 117.136 5.524 1
1 516 . 2 1 1 A 51 51 GLU H H 51 8.418 8.371 0.047 1
1 517 . 2 1 1 A 51 51 GLU HA H 51 4.272 4.709 -0.437 1
1 522 . 2 1 1 A 51 51 GLU C C 51 176.777 176.645 0.132 1
1 523 . 2 1 1 A 51 51 GLU CA C 51 56.680 55.043 1.637 1
1 524 . 2 1 1 A 51 51 GLU CB C 51 30.262 32.006 -1.744 1
1 526 . 2 1 1 A 51 51 GLU N N 51 121.650 120.932 0.718 1
1 527 . 2 1 1 A 52 52 GLU H H 52 8.325 8.671 -0.346 1
1 528 . 2 1 1 A 52 52 GLU HA H 52 4.174 4.096 0.078 1
1 533 . 2 1 1 A 52 52 GLU C C 52 176.178 176.978 -0.800 1
1 534 . 2 1 1 A 52 52 GLU N N 52 120.869 124.326 -3.457 1
1 535 . 2 1 1 A 53 53 ASP H H 53 8.320 8.078 0.242 1
1 536 . 2 1 1 A 53 53 ASP HA H 53 4.527 4.918 -0.391 1
1 539 . 2 1 1 A 53 53 ASP C C 53 175.650 175.770 -0.120 1
1 540 . 2 1 1 A 53 53 ASP CA C 53 54.322 52.947 1.375 1
1 541 . 2 1 1 A 53 53 ASP CB C 53 41.040 41.698 -0.658 1
1 542 . 2 1 1 A 53 53 ASP N N 53 119.656 117.610 2.046 1
1 543 . 2 1 1 A 54 54 ASN H H 54 8.134 8.227 -0.093 1
1 544 . 2 1 1 A 54 54 ASN HA H 54 4.970 4.670 0.300 1
1 549 . 2 1 1 A 54 54 ASN CA C 54 51.120 53.882 -2.762 1
1 550 . 2 1 1 A 54 54 ASN CB C 54 39.125 37.013 2.112 1
1 551 . 2 1 1 A 54 54 ASN N N 54 118.436 114.625 3.811 1
1 553 . 2 1 1 A 55 55 PRO HA H 55 4.394 4.335 0.059 1
1 560 . 2 1 1 A 55 55 PRO C C 55 177.514 176.394 1.120 1
1 561 . 2 1 1 A 55 55 PRO CA C 55 63.910 65.341 -1.431 1
1 562 . 2 1 1 A 55 55 PRO CB C 55 32.077 31.664 0.413 1
1 565 . 2 1 1 A 56 56 LEU H H 56 8.181 7.789 0.392 1
1 566 . 2 1 1 A 56 56 LEU HA H 56 4.268 4.820 -0.552 1
1 576 . 2 1 1 A 56 56 LEU C C 56 178.176 175.164 3.012 1
1 577 . 2 1 1 A 56 56 LEU CA C 56 55.542 53.300 2.242 1
1 578 . 2 1 1 A 56 56 LEU CB C 56 41.783 46.447 -4.664 1
1 582 . 2 1 1 A 56 56 LEU N N 56 120.122 117.441 2.681 1
1 583 . 2 1 1 A 57 57 GLY H H 57 8.071 8.647 -0.576 1
1 584 . 2 1 1 A 57 57 GLY HA2 H 57 3.946 4.267 -0.321 1
1 585 . 2 1 1 A 57 57 GLY HA3 H 57 3.946 4.269 -0.323 1
1 586 . 2 1 1 A 57 57 GLY C C 57 174.306 173.863 0.443 1
1 587 . 2 1 1 A 57 57 GLY CA C 57 45.460 45.729 -0.269 1
1 588 . 2 1 1 A 57 57 GLY N N 57 108.437 112.419 -3.982 1
1 589 . 2 1 1 A 58 58 SER H H 58 8.170 8.185 -0.015 1
1 590 . 2 1 1 A 58 58 SER HA H 58 4.460 4.411 0.049 1
1 593 . 2 1 1 A 58 58 SER C C 58 174.785 174.999 -0.214 1
1 594 . 2 1 1 A 58 58 SER CA C 58 58.319 57.997 0.322 1
1 595 . 2 1 1 A 58 58 SER CB C 58 63.792 65.327 -1.535 1
1 596 . 2 1 1 A 58 58 SER N N 58 115.478 114.374 1.104 1
1 597 . 2 1 1 A 59 59 LEU H H 59 8.278 8.545 -0.267 1
1 598 . 2 1 1 A 59 59 LEU HA H 59 4.384 4.427 -0.043 1
1 608 . 2 1 1 A 59 59 LEU CA C 59 55.219 56.950 -1.731 1
1 609 . 2 1 1 A 59 59 LEU CB C 59 42.377 43.541 -1.164 1
1 613 . 2 1 1 A 59 59 LEU N N 59 124.033 123.163 0.870 1
1 614 . 2 1 1 A 60 60 CYS H H 60 8.331 7.857 0.474 1
1 615 . 2 1 1 A 60 60 CYS HA H 60 4.398 4.252 0.146 1
1 618 . 2 1 1 A 60 60 CYS C C 60 174.142 174.460 -0.318 1
1 619 . 2 1 1 A 60 60 CYS CA C 60 58.505 59.360 -0.855 1
1 620 . 2 1 1 A 60 60 CYS CB C 60 27.338 27.215 0.123 1
1 621 . 2 1 1 A 60 60 CYS N N 60 120.390 115.698 4.692 1
1 622 . 2 1 1 A 61 61 ARG H H 61 8.632 8.709 -0.077 1
1 623 . 2 1 1 A 61 61 ARG HA H 61 4.337 4.454 -0.117 1
1 630 . 2 1 1 A 61 61 ARG C C 61 176.096 174.945 1.151 1
1 631 . 2 1 1 A 61 61 ARG CA C 61 56.003 55.665 0.338 1
1 632 . 2 1 1 A 61 61 ARG CB C 61 30.757 30.768 -0.011 1
1 635 . 2 1 1 A 61 61 ARG N N 61 125.869 125.220 0.649 1
1 636 . 2 1 1 A 62 62 GLY H H 62 7.263 6.913 0.350 1
1 637 . 2 1 1 A 62 62 GLY HA2 H 62 3.008 3.546 -0.538 1
1 638 . 2 1 1 A 62 62 GLY HA3 H 62 3.875 3.834 0.041 1
1 639 . 2 1 1 A 62 62 GLY C C 62 170.609 171.917 -1.308 1
1 640 . 2 1 1 A 62 62 GLY CA C 62 44.808 44.579 0.229 1
1 641 . 2 1 1 A 62 62 GLY N N 62 107.908 106.510 1.398 1
1 642 . 2 1 1 A 63 63 ILE H H 63 7.895 8.150 -0.255 1
1 643 . 2 1 1 A 63 63 ILE HA H 63 4.843 5.286 -0.443 1
1 653 . 2 1 1 A 63 63 ILE C C 63 175.450 174.842 0.608 1
1 654 . 2 1 1 A 63 63 ILE CA C 63 60.322 59.686 0.636 1
1 655 . 2 1 1 A 63 63 ILE CB C 63 41.957 42.206 -0.249 1
1 659 . 2 1 1 A 63 63 ILE N N 63 117.987 120.260 -2.273 1
1 660 . 2 1 1 A 64 64 LEU H H 64 9.429 9.215 0.214 1
1 661 . 2 1 1 A 64 64 LEU HA H 64 4.916 4.736 0.180 1
1 671 . 2 1 1 A 64 64 LEU C C 64 176.136 177.523 -1.387 1
1 672 . 2 1 1 A 64 64 LEU CA C 64 53.059 53.925 -0.866 1
1 673 . 2 1 1 A 64 64 LEU CB C 64 43.788 41.884 1.904 1
1 677 . 2 1 1 A 64 64 LEU N N 64 127.063 126.699 0.364 1
1 678 . 2 1 1 A 65 65 ASP H H 65 9.241 8.938 0.303 1
1 679 . 2 1 1 A 65 65 ASP HA H 65 4.818 4.363 0.455 1
1 682 . 2 1 1 A 65 65 ASP C C 65 177.925 176.806 1.119 1
1 683 . 2 1 1 A 65 65 ASP CA C 65 53.628 56.870 -3.242 1
1 684 . 2 1 1 A 65 65 ASP CB C 65 40.307 40.614 -0.307 1
1 685 . 2 1 1 A 65 65 ASP N N 65 122.728 125.872 -3.144 1
1 686 . 2 1 1 A 66 66 LEU H H 66 8.766 8.030 0.736 1
1 687 . 2 1 1 A 66 66 LEU HA H 66 4.212 4.131 0.081 1
1 697 . 2 1 1 A 66 66 LEU C C 66 177.167 176.585 0.582 1
1 698 . 2 1 1 A 66 66 LEU CA C 66 57.854 56.563 1.291 1
1 699 . 2 1 1 A 66 66 LEU CB C 66 41.006 40.210 0.796 1
1 703 . 2 1 1 A 66 66 LEU N N 66 126.997 116.312 10.685 1
1 704 . 2 1 1 A 67 67 ASN H H 67 8.585 8.292 0.293 1
1 705 . 2 1 1 A 67 67 ASN HA H 67 4.721 4.875 -0.154 1
1 710 . 2 1 1 A 67 67 ASN C C 67 176.583 175.752 0.831 1
1 711 . 2 1 1 A 67 67 ASN CA C 67 55.648 54.032 1.616 1
1 712 . 2 1 1 A 67 67 ASN CB C 67 38.464 39.927 -1.463 1
1 713 . 2 1 1 A 67 67 ASN N N 67 113.883 116.085 -2.202 1
1 715 . 2 1 1 A 68 68 THR H H 68 8.007 8.125 -0.118 1
1 716 . 2 1 1 A 68 68 THR HA H 68 4.513 4.619 -0.106 1
1 721 . 2 1 1 A 68 68 THR C C 68 172.870 173.549 -0.679 1
1 722 . 2 1 1 A 68 68 THR CA C 68 61.441 60.115 1.326 1
1 723 . 2 1 1 A 68 68 THR CB C 68 69.432 68.756 0.676 1
1 725 . 2 1 1 A 68 68 THR N N 68 108.340 106.780 1.560 1
1 726 . 2 1 1 A 69 69 TYR H H 69 7.560 8.386 -0.826 1
1 727 . 2 1 1 A 69 69 TYR HA H 69 5.199 5.498 -0.299 1
1 734 . 2 1 1 A 69 69 TYR C C 69 174.283 174.475 -0.192 1
1 735 . 2 1 1 A 69 69 TYR CA C 69 57.848 56.336 1.512 1
1 736 . 2 1 1 A 69 69 TYR CB C 69 44.393 43.716 0.677 1
1 741 . 2 1 1 A 69 69 TYR N N 69 119.888 122.195 -2.307 1
1 742 . 2 1 1 A 70 70 ASN H H 70 9.116 9.253 -0.137 1
1 743 . 2 1 1 A 70 70 ASN HA H 70 5.162 5.405 -0.243 1
1 748 . 2 1 1 A 70 70 ASN C C 70 174.340 174.190 0.150 1
1 749 . 2 1 1 A 70 70 ASN CA C 70 52.364 52.588 -0.224 1
1 750 . 2 1 1 A 70 70 ASN CB C 70 42.062 42.880 -0.818 1
1 751 . 2 1 1 A 70 70 ASN N N 70 116.071 117.665 -1.594 1
1 753 . 2 1 1 A 71 71 VAL H H 71 8.564 9.223 -0.659 1
1 754 . 2 1 1 A 71 71 VAL HA H 71 5.766 5.008 0.758 1
1 762 . 2 1 1 A 71 71 VAL C C 71 173.261 175.829 -2.568 1
1 763 . 2 1 1 A 71 71 VAL CA C 71 59.076 62.160 -3.084 1
1 764 . 2 1 1 A 71 71 VAL CB C 71 34.982 33.053 1.929 1
1 767 . 2 1 1 A 71 71 VAL N N 71 120.784 124.703 -3.919 1
1 768 . 2 1 1 A 72 72 VAL H H 72 9.308 8.772 0.536 1
1 769 . 2 1 1 A 72 72 VAL HA H 72 4.806 4.872 -0.066 1
1 777 . 2 1 1 A 72 72 VAL C C 72 175.047 173.999 1.048 1
1 778 . 2 1 1 A 72 72 VAL CA C 72 60.330 59.934 0.396 1
1 779 . 2 1 1 A 72 72 VAL CB C 72 36.467 35.038 1.429 1
1 782 . 2 1 1 A 72 72 VAL N N 72 125.272 121.061 4.211 1
1 783 . 2 1 1 A 73 73 LYS H H 73 8.793 8.341 0.452 1
1 784 . 2 1 1 A 73 73 LYS HA H 73 4.652 3.161 1.491 1
1 793 . 2 1 1 A 73 73 LYS C C 73 176.241 175.056 1.185 1
1 794 . 2 1 1 A 73 73 LYS CA C 73 55.799 55.714 0.085 1
1 795 . 2 1 1 A 73 73 LYS CB C 73 33.452 32.216 1.236 1
1 799 . 2 1 1 A 73 73 LYS N N 73 124.197 126.554 -2.357 1
1 800 . 2 1 1 A 74 74 ALA H H 74 8.172 8.423 -0.251 1
1 801 . 2 1 1 A 74 74 ALA HA H 74 4.849 4.305 0.544 1
1 805 . 2 1 1 A 74 74 ALA CA C 74 49.540 50.216 -0.676 1
1 806 . 2 1 1 A 74 74 ALA CB C 74 17.685 19.245 -1.560 1
1 807 . 2 1 1 A 74 74 ALA N N 74 128.026 130.076 -2.050 1
1 808 . 2 1 1 A 75 75 PRO HA H 75 4.351 4.331 0.020 1
1 815 . 2 1 1 A 75 75 PRO CA C 75 65.256 65.825 -0.569 1
1 816 . 2 1 1 A 75 75 PRO CB C 75 32.158 31.502 0.656 1
1 819 . 2 1 1 A 76 76 GLN H H 76 8.660 8.034 0.626 1
1 820 . 2 1 1 A 76 76 GLN HA H 76 4.561 4.177 0.384 1
1 825 . 2 1 1 A 76 76 GLN C C 76 176.426 175.982 0.444 1
1 826 . 2 1 1 A 76 76 GLN CA C 76 55.168 57.210 -2.042 1
1 827 . 2 1 1 A 76 76 GLN CB C 76 28.925 29.636 -0.711 1
1 829 . 2 1 1 A 76 76 GLN N N 76 116.110 117.022 -0.912 1
1 830 . 2 1 1 A 77 77 GLY H H 77 7.527 7.682 -0.155 1
1 831 . 2 1 1 A 77 77 GLY HA2 H 77 3.382 4.003 -0.621 1
1 832 . 2 1 1 A 77 77 GLY HA3 H 77 4.505 4.012 0.493 1
1 833 . 2 1 1 A 77 77 GLY C C 77 172.487 174.472 -1.985 1
1 834 . 2 1 1 A 77 77 GLY CA C 77 44.852 43.841 1.011 1
1 835 . 2 1 1 A 77 77 GLY N N 77 107.608 106.830 0.778 1
1 836 . 2 1 1 A 78 78 LYS H H 78 8.123 8.548 -0.425 1
1 837 . 2 1 1 A 78 78 LYS HA H 78 4.191 4.484 -0.293 1
1 846 . 2 1 1 A 78 78 LYS C C 78 175.300 176.322 -1.022 1
1 847 . 2 1 1 A 78 78 LYS CA C 78 56.737 56.370 0.367 1
1 848 . 2 1 1 A 78 78 LYS CB C 78 35.900 35.046 0.854 1
1 852 . 2 1 1 A 78 78 LYS N N 78 117.756 121.834 -4.078 1
1 853 . 2 1 1 A 79 79 ASN H H 79 9.105 8.539 0.566 1
1 854 . 2 1 1 A 79 79 ASN HA H 79 4.099 4.834 -0.735 1
1 859 . 2 1 1 A 79 79 ASN C C 79 175.098 175.945 -0.847 1
1 860 . 2 1 1 A 79 79 ASN CA C 79 54.563 53.419 1.144 1
1 861 . 2 1 1 A 79 79 ASN CB C 79 37.353 40.022 -2.669 1
1 862 . 2 1 1 A 79 79 ASN N N 79 120.643 114.963 5.680 1
1 864 . 2 1 1 A 80 80 GLN H H 80 8.608 8.706 -0.098 1
1 865 . 2 1 1 A 80 80 GLN HA H 80 3.648 4.575 -0.927 1
1 870 . 2 1 1 A 80 80 GLN C C 80 175.327 175.540 -0.213 1
1 871 . 2 1 1 A 80 80 GLN CA C 80 57.975 55.417 2.558 1
1 872 . 2 1 1 A 80 80 GLN CB C 80 26.506 30.537 -4.031 1
1 874 . 2 1 1 A 80 80 GLN N N 80 108.385 116.228 -7.843 1
1 875 . 2 1 1 A 81 81 LYS H H 81 7.608 7.875 -0.267 1
1 876 . 2 1 1 A 81 81 LYS HA H 81 4.325 4.439 -0.114 1
1 885 . 2 1 1 A 81 81 LYS C C 81 176.242 176.470 -0.228 1
1 886 . 2 1 1 A 81 81 LYS CA C 81 54.186 54.400 -0.214 1
1 887 . 2 1 1 A 81 81 LYS CB C 81 33.385 34.433 -1.048 1
1 891 . 2 1 1 A 81 81 LYS N N 81 119.675 119.934 -0.259 1
1 892 . 2 1 1 A 82 82 SER H H 82 7.692 8.665 -0.973 1
1 893 . 2 1 1 A 82 82 SER HA H 82 3.850 4.389 -0.539 1
1 896 . 2 1 1 A 82 82 SER C C 82 174.045 173.291 0.754 1
1 897 . 2 1 1 A 82 82 SER CA C 82 60.984 59.493 1.491 1
1 898 . 2 1 1 A 82 82 SER CB C 82 62.962 64.958 -1.996 1
1 899 . 2 1 1 A 82 82 SER N N 82 117.008 117.029 -0.021 1
1 900 . 2 1 1 A 83 83 PHE H H 83 8.545 7.514 1.031 1
1 901 . 2 1 1 A 83 83 PHE HA H 83 4.921 4.725 0.196 1
1 908 . 2 1 1 A 83 83 PHE C C 83 172.686 175.108 -2.422 1
1 909 . 2 1 1 A 83 83 PHE CA C 83 55.383 56.973 -1.590 1
1 910 . 2 1 1 A 83 83 PHE CB C 83 37.774 37.905 -0.131 1
1 915 . 2 1 1 A 83 83 PHE N N 83 124.073 118.522 5.551 1
1 916 . 2 1 1 A 84 84 VAL H H 84 8.420 8.709 -0.289 1
1 917 . 2 1 1 A 84 84 VAL HA H 84 5.348 5.278 0.070 1
1 925 . 2 1 1 A 84 84 VAL C C 84 175.816 174.803 1.013 1
1 926 . 2 1 1 A 84 84 VAL CA C 84 60.177 60.717 -0.540 1
1 927 . 2 1 1 A 84 84 VAL CB C 84 37.646 34.967 2.679 1
1 930 . 2 1 1 A 84 84 VAL N N 84 123.085 124.343 -1.258 1
1 931 . 2 1 1 A 85 85 PHE H H 85 8.812 9.133 -0.321 1
1 932 . 2 1 1 A 85 85 PHE HA H 85 5.510 5.307 0.203 1
1 940 . 2 1 1 A 85 85 PHE C C 85 171.610 174.692 -3.082 1
1 941 . 2 1 1 A 85 85 PHE CA C 85 55.360 55.791 -0.431 1
1 942 . 2 1 1 A 85 85 PHE CB C 85 41.424 41.698 -0.274 1
1 948 . 2 1 1 A 85 85 PHE N N 85 122.454 123.222 -0.768 1
1 949 . 2 1 1 A 86 86 ILE H H 86 9.406 9.319 0.087 1
1 950 . 2 1 1 A 86 86 ILE HA H 86 4.844 5.253 -0.409 1
1 960 . 2 1 1 A 86 86 ILE C C 86 175.559 174.808 0.751 1
1 961 . 2 1 1 A 86 86 ILE CA C 86 60.323 60.070 0.253 1
1 962 . 2 1 1 A 86 86 ILE CB C 86 42.374 40.208 2.166 1
1 966 . 2 1 1 A 86 86 ILE N N 86 120.483 123.471 -2.988 1
1 967 . 2 1 1 A 87 87 LEU H H 87 9.450 9.272 0.178 1
1 968 . 2 1 1 A 87 87 LEU HA H 87 5.238 5.573 -0.335 1
1 978 . 2 1 1 A 87 87 LEU C C 87 175.145 175.730 -0.585 1
1 979 . 2 1 1 A 87 87 LEU CA C 87 52.778 53.456 -0.678 1
1 980 . 2 1 1 A 87 87 LEU CB C 87 40.657 43.682 -3.025 1
1 984 . 2 1 1 A 87 87 LEU N N 87 126.149 127.606 -1.457 1
1 985 . 2 1 1 A 88 88 GLU H H 88 9.120 9.149 -0.029 1
1 986 . 2 1 1 A 88 88 GLU HA H 88 4.986 4.942 0.044 1
1 991 . 2 1 1 A 88 88 GLU CA C 88 52.677 52.872 -0.195 1
1 992 . 2 1 1 A 88 88 GLU CB C 88 31.511 30.745 0.766 1
1 994 . 2 1 1 A 88 88 GLU N N 88 126.028 124.273 1.755 1
1 995 . 2 1 1 A 89 89 PRO HA H 89 4.239 4.031 0.208 1
1 1002 . 2 1 1 A 89 89 PRO C C 89 177.398 176.928 0.470 1
1 1003 . 2 1 1 A 89 89 PRO CA C 89 63.214 62.507 0.707 1
1 1004 . 2 1 1 A 89 89 PRO CB C 89 32.855 32.273 0.582 1
1 1007 . 2 1 1 A 90 90 LYS H H 90 8.166 8.801 -0.635 1
1 1008 . 2 1 1 A 90 90 LYS HA H 90 4.041 4.461 -0.420 1
1 1017 . 2 1 1 A 90 90 LYS C C 90 177.384 176.146 1.238 1
1 1018 . 2 1 1 A 90 90 LYS CA C 90 58.404 56.232 2.172 1
1 1019 . 2 1 1 A 90 90 LYS CB C 90 33.133 33.389 -0.256 1
1 1023 . 2 1 1 A 90 90 LYS N N 90 121.350 119.101 2.249 1
1 1024 . 2 1 1 A 91 91 GLN H H 91 8.252 7.079 1.173 1
1 1025 . 2 1 1 A 91 91 GLN HA H 91 4.423 4.382 0.041 1
1 1032 . 2 1 1 A 91 91 GLN C C 91 175.039 175.583 -0.544 1
1 1033 . 2 1 1 A 91 91 GLN CA C 91 54.303 55.122 -0.819 1
1 1034 . 2 1 1 A 91 91 GLN CB C 91 29.208 30.484 -1.276 1
1 1036 . 2 1 1 A 91 91 GLN N N 91 118.759 121.771 -3.012 1
1 1038 . 2 1 1 A 92 92 GLN H H 92 8.460 8.813 -0.353 1
1 1039 . 2 1 1 A 92 92 GLN HA H 92 4.057 4.018 0.039 1
1 1044 . 2 1 1 A 92 92 GLN C C 92 177.080 175.594 1.486 1
1 1045 . 2 1 1 A 92 92 GLN CA C 92 57.446 58.085 -0.639 1
1 1046 . 2 1 1 A 92 92 GLN CB C 92 28.472 27.695 0.777 1
1 1048 . 2 1 1 A 92 92 GLN N N 92 124.928 123.750 1.178 1
1 1049 . 2 1 1 A 93 93 GLY H H 93 8.870 8.348 0.522 1
1 1050 . 2 1 1 A 93 93 GLY HA2 H 93 3.639 4.130 -0.491 1
1 1051 . 2 1 1 A 93 93 GLY HA3 H 93 4.338 4.141 0.197 1
1 1052 . 2 1 1 A 93 93 GLY C C 93 174.298 174.053 0.245 1
1 1053 . 2 1 1 A 93 93 GLY CA C 93 45.336 45.644 -0.308 1
1 1054 . 2 1 1 A 93 93 GLY N N 93 113.393 108.333 5.060 1
1 1055 . 2 1 1 A 94 94 ASP H H 94 7.546 7.484 0.062 1
1 1056 . 2 1 1 A 94 94 ASP HA H 94 5.056 4.652 0.404 1
1 1059 . 2 1 1 A 94 94 ASP CA C 94 52.662 52.955 -0.293 1
1 1060 . 2 1 1 A 94 94 ASP CB C 94 40.179 39.999 0.180 1
1 1061 . 2 1 1 A 94 94 ASP N N 94 123.111 120.595 2.516 1
1 1062 . 2 1 1 A 95 95 PRO HA H 95 4.933 4.780 0.153 1
1 1069 . 2 1 1 A 95 95 PRO CA C 95 61.243 61.518 -0.275 1
1 1070 . 2 1 1 A 95 95 PRO CB C 95 31.234 31.942 -0.708 1
1 1073 . 2 1 1 A 96 96 PRO HA H 96 5.190 5.134 0.056 1
1 1080 . 2 1 1 A 96 96 PRO C C 96 176.664 175.502 1.162 1
1 1081 . 2 1 1 A 96 96 PRO CA C 96 62.399 62.472 -0.073 1
1 1082 . 2 1 1 A 96 96 PRO CB C 96 32.850 33.013 -0.163 1
1 1085 . 2 1 1 A 97 97 VAL H H 97 8.448 8.297 0.151 1
1 1086 . 2 1 1 A 97 97 VAL HA H 97 4.145 4.689 -0.544 1
1 1094 . 2 1 1 A 97 97 VAL C C 97 174.020 174.725 -0.705 1
1 1095 . 2 1 1 A 97 97 VAL CA C 97 61.710 60.644 1.066 1
1 1096 . 2 1 1 A 97 97 VAL CB C 97 33.977 35.435 -1.458 1
1 1099 . 2 1 1 A 97 97 VAL N N 97 121.904 119.921 1.983 1
1 1100 . 2 1 1 A 98 98 GLU H H 98 8.599 8.661 -0.062 1
1 1101 . 2 1 1 A 98 98 GLU HA H 98 4.778 5.147 -0.369 1
1 1106 . 2 1 1 A 98 98 GLU C C 98 173.807 175.683 -1.876 1
1 1107 . 2 1 1 A 98 98 GLU CA C 98 55.674 55.150 0.524 1
1 1108 . 2 1 1 A 98 98 GLU CB C 98 30.827 32.462 -1.635 1
1 1110 . 2 1 1 A 98 98 GLU N N 98 126.577 126.302 0.275 1
1 1111 . 2 1 1 A 99 99 PHE H H 99 8.701 9.132 -0.431 1
1 1112 . 2 1 1 A 99 99 PHE HA H 99 5.773 5.889 -0.116 1
1 1120 . 2 1 1 A 99 99 PHE C C 99 174.648 175.133 -0.485 1
1 1121 . 2 1 1 A 99 99 PHE CA C 99 55.799 57.042 -1.243 1
1 1122 . 2 1 1 A 99 99 PHE CB C 99 44.025 44.360 -0.335 1
1 1128 . 2 1 1 A 99 99 PHE N N 99 120.755 121.101 -0.346 1
1 1129 . 2 1 1 A 100 100 ALA H H 100 8.737 8.635 0.102 1
1 1130 . 2 1 1 A 100 100 ALA HA H 100 5.669 5.142 0.527 1
1 1134 . 2 1 1 A 100 100 ALA C C 100 176.491 176.185 0.306 1
1 1135 . 2 1 1 A 100 100 ALA CA C 100 49.850 51.757 -1.907 1
1 1136 . 2 1 1 A 100 100 ALA CB C 100 23.399 22.978 0.421 1
1 1137 . 2 1 1 A 100 100 ALA N N 100 118.211 122.272 -4.061 1
1 1138 . 2 1 1 A 101 101 THR H H 101 8.272 8.926 -0.654 1
1 1139 . 2 1 1 A 101 101 THR HA H 101 5.232 4.999 0.233 1
1 1144 . 2 1 1 A 101 101 THR C C 101 174.787 174.077 0.710 1
1 1145 . 2 1 1 A 101 101 THR CA C 101 59.068 60.245 -1.177 1
1 1146 . 2 1 1 A 101 101 THR CB C 101 70.089 71.609 -1.520 1
1 1148 . 2 1 1 A 101 101 THR N N 101 108.062 110.773 -2.711 1
1 1149 . 2 1 1 A 102 102 ASP H H 102 8.625 9.246 -0.621 1
1 1150 . 2 1 1 A 102 102 ASP HA H 102 5.009 4.760 0.249 1
1 1153 . 2 1 1 A 102 102 ASP C C 102 177.730 175.096 2.634 1
1 1154 . 2 1 1 A 102 102 ASP CA C 102 56.976 53.911 3.065 1
1 1155 . 2 1 1 A 102 102 ASP CB C 102 42.543 42.948 -0.405 1
1 1156 . 2 1 1 A 102 102 ASP N N 102 118.482 121.796 -3.314 1
1 1157 . 2 1 1 A 103 103 ARG H H 103 8.208 7.506 0.702 1
1 1158 . 2 1 1 A 103 103 ARG HA H 103 4.772 4.886 -0.114 1
1 1165 . 2 1 1 A 103 103 ARG C C 103 178.000 176.385 1.615 1
1 1166 . 2 1 1 A 103 103 ARG CA C 103 54.079 53.903 0.176 1
1 1167 . 2 1 1 A 103 103 ARG CB C 103 33.914 34.546 -0.632 1
1 1170 . 2 1 1 A 103 103 ARG N N 103 116.043 117.468 -1.425 1
1 1171 . 2 1 1 A 104 104 VAL H H 104 8.516 9.031 -0.515 1
1 1172 . 2 1 1 A 104 104 VAL HA H 104 2.857 3.575 -0.718 1
1 1180 . 2 1 1 A 104 104 VAL C C 104 176.158 177.526 -1.368 1
1 1181 . 2 1 1 A 104 104 VAL CA C 104 64.625 66.074 -1.449 1
1 1182 . 2 1 1 A 104 104 VAL CB C 104 30.883 31.453 -0.570 1
1 1185 . 2 1 1 A 104 104 VAL N N 104 128.496 122.200 6.296 1
1 1186 . 2 1 1 A 105 105 GLU H H 105 9.414 8.229 1.185 1
1 1187 . 2 1 1 A 105 105 GLU HA H 105 3.989 4.091 -0.102 1
1 1192 . 2 1 1 A 105 105 GLU C C 105 179.982 179.411 0.571 1
1 1193 . 2 1 1 A 105 105 GLU CA C 105 60.599 59.692 0.907 1
1 1194 . 2 1 1 A 105 105 GLU CB C 105 27.973 29.441 -1.468 1
1 1196 . 2 1 1 A 105 105 GLU N N 105 121.934 119.498 2.436 1
1 1197 . 2 1 1 A 106 106 GLU H H 106 6.769 8.285 -1.516 1
1 1198 . 2 1 1 A 106 106 GLU HA H 106 4.370 4.105 0.265 1
1 1203 . 2 1 1 A 106 106 GLU C C 106 178.312 179.283 -0.971 1
1 1204 . 2 1 1 A 106 106 GLU CA C 106 58.503 59.236 -0.733 1
1 1205 . 2 1 1 A 106 106 GLU CB C 106 30.657 29.365 1.292 1
1 1207 . 2 1 1 A 106 106 GLU N N 106 116.721 120.657 -3.936 1
1 1208 . 2 1 1 A 107 107 LEU H H 107 7.161 7.666 -0.505 1
1 1209 . 2 1 1 A 107 107 LEU HA H 107 4.040 4.242 -0.202 1
1 1219 . 2 1 1 A 107 107 LEU C C 107 177.985 178.284 -0.299 1
1 1220 . 2 1 1 A 107 107 LEU CA C 107 58.930 58.189 0.741 1
1 1221 . 2 1 1 A 107 107 LEU CB C 107 40.058 42.119 -2.061 1
1 1225 . 2 1 1 A 107 107 LEU N N 107 122.171 122.402 -0.231 1
1 1226 . 2 1 1 A 108 108 PHE H H 108 7.986 8.463 -0.477 1
1 1227 . 2 1 1 A 108 108 PHE HA H 108 4.199 4.070 0.129 1
1 1234 . 2 1 1 A 108 108 PHE C C 108 178.069 178.039 0.030 1
1 1235 . 2 1 1 A 108 108 PHE CA C 108 61.167 61.294 -0.127 1
1 1236 . 2 1 1 A 108 108 PHE CB C 108 38.208 38.254 -0.046 1
1 1241 . 2 1 1 A 108 108 PHE N N 108 116.696 118.471 -1.775 1
1 1242 . 2 1 1 A 109 109 GLU H H 109 7.719 8.690 -0.971 1
1 1243 . 2 1 1 A 109 109 GLU HA H 109 3.951 4.025 -0.074 1
1 1248 . 2 1 1 A 109 109 GLU C C 109 179.858 178.977 0.881 1
1 1249 . 2 1 1 A 109 109 GLU CA C 109 59.664 59.086 0.578 1
1 1250 . 2 1 1 A 109 109 GLU CB C 109 29.923 29.632 0.291 1
1 1252 . 2 1 1 A 109 109 GLU N N 109 119.214 120.730 -1.516 1
1 1253 . 2 1 1 A 110 110 TRP H H 110 8.445 7.988 0.457 1
1 1254 . 2 1 1 A 110 110 TRP HA H 110 3.634 4.212 -0.578 1
1 1263 . 2 1 1 A 110 110 TRP C C 110 177.691 178.732 -1.041 1
1 1264 . 2 1 1 A 110 110 TRP CA C 110 62.078 60.209 1.869 1
1 1265 . 2 1 1 A 110 110 TRP CB C 110 29.275 28.613 0.662 1
1 1271 . 2 1 1 A 110 110 TRP N N 110 120.045 120.710 -0.665 1
1 1273 . 2 1 1 A 111 111 PHE H H 111 8.668 7.709 0.959 1
1 1274 . 2 1 1 A 111 111 PHE HA H 111 3.436 3.841 -0.405 1
1 1282 . 2 1 1 A 111 111 PHE C C 111 176.547 177.543 -0.996 1
1 1283 . 2 1 1 A 111 111 PHE CA C 111 62.182 61.797 0.385 1
1 1284 . 2 1 1 A 111 111 PHE CB C 111 39.904 37.691 2.213 1
1 1290 . 2 1 1 A 111 111 PHE N N 111 117.907 117.658 0.249 1
1 1291 . 2 1 1 A 112 112 GLN H H 112 8.254 7.632 0.622 1
1 1292 . 2 1 1 A 112 112 GLN HA H 112 3.685 3.786 -0.101 1
1 1299 . 2 1 1 A 112 112 GLN C C 112 178.503 177.962 0.541 1
1 1300 . 2 1 1 A 112 112 GLN CA C 112 58.624 58.688 -0.064 1
1 1301 . 2 1 1 A 112 112 GLN CB C 112 27.980 28.323 -0.343 1
1 1303 . 2 1 1 A 112 112 GLN N N 112 116.394 120.178 -3.784 1
1 1305 . 2 1 1 A 113 113 SER H H 113 7.741 7.274 0.467 1
1 1306 . 2 1 1 A 113 113 SER HA H 113 4.036 4.491 -0.455 1
1 1309 . 2 1 1 A 113 113 SER C C 113 176.428 177.393 -0.965 1
1 1310 . 2 1 1 A 113 113 SER CA C 113 62.062 61.305 0.757 1
1 1311 . 2 1 1 A 113 113 SER CB C 113 62.655 62.745 -0.090 1
1 1312 . 2 1 1 A 113 113 SER N N 113 114.734 114.497 0.237 1
1 1313 . 2 1 1 A 114 114 ILE H H 114 7.915 7.924 -0.009 1
1 1314 . 2 1 1 A 114 114 ILE HA H 114 3.559 3.627 -0.068 1
1 1324 . 2 1 1 A 114 114 ILE C C 114 178.594 178.532 0.062 1
1 1325 . 2 1 1 A 114 114 ILE CA C 114 65.364 65.216 0.148 1
1 1326 . 2 1 1 A 114 114 ILE CB C 114 38.395 37.389 1.006 1
1 1330 . 2 1 1 A 114 114 ILE N N 114 119.893 121.233 -1.340 1
1 1331 . 2 1 1 A 115 115 ARG H H 115 8.581 8.142 0.439 1
1 1332 . 2 1 1 A 115 115 ARG HA H 115 3.881 4.320 -0.439 1
1 1339 . 2 1 1 A 115 115 ARG C C 115 177.921 179.231 -1.310 1
1 1340 . 2 1 1 A 115 115 ARG CA C 115 58.689 59.547 -0.858 1
1 1341 . 2 1 1 A 115 115 ARG CB C 115 29.134 29.759 -0.625 1
1 1344 . 2 1 1 A 115 115 ARG N N 115 123.090 120.979 2.111 1
1 1345 . 2 1 1 A 116 116 GLU H H 116 7.653 8.130 -0.477 1
1 1346 . 2 1 1 A 116 116 GLU HA H 116 3.959 4.128 -0.169 1
1 1351 . 2 1 1 A 116 116 GLU C C 116 178.178 177.521 0.657 1
1 1352 . 2 1 1 A 116 116 GLU CA C 116 58.767 58.764 0.003 1
1 1353 . 2 1 1 A 116 116 GLU CB C 116 29.501 29.541 -0.040 1
1 1355 . 2 1 1 A 116 116 GLU N N 116 116.356 119.196 -2.840 1
1 1356 . 2 1 1 A 117 117 ILE H H 117 7.334 7.230 0.104 1
1 1357 . 2 1 1 A 117 117 ILE HA H 117 3.909 4.176 -0.267 1
1 1367 . 2 1 1 A 117 117 ILE C C 117 177.733 177.540 0.193 1
1 1368 . 2 1 1 A 117 117 ILE CA C 117 63.443 61.950 1.493 1
1 1369 . 2 1 1 A 117 117 ILE CB C 117 39.059 38.776 0.283 1
1 1373 . 2 1 1 A 117 117 ILE N N 117 117.514 118.007 -0.493 1
1 1374 . 2 1 1 A 118 118 THR H H 118 8.075 7.573 0.502 1
1 1375 . 2 1 1 A 118 118 THR HA H 118 4.367 4.586 -0.219 1
1 1380 . 2 1 1 A 118 118 THR C C 118 176.050 176.472 -0.422 1
1 1381 . 2 1 1 A 118 118 THR CA C 118 63.494 63.005 0.489 1
1 1382 . 2 1 1 A 118 118 THR CB C 118 70.326 70.070 0.256 1
1 1384 . 2 1 1 A 118 118 THR N N 118 109.879 111.380 -1.501 1
1 1385 . 2 1 1 A 119 119 TRP H H 119 8.283 8.559 -0.276 1
1 1386 . 2 1 1 A 119 119 TRP HA H 119 4.792 4.595 0.197 1
1 1395 . 2 1 1 A 119 119 TRP C C 119 175.855 177.859 -2.004 1
1 1396 . 2 1 1 A 119 119 TRP CA C 119 57.464 60.066 -2.602 1
1 1397 . 2 1 1 A 119 119 TRP CB C 119 29.488 29.295 0.193 1
1 1403 . 2 1 1 A 119 119 TRP N N 119 124.034 121.734 2.300 1
1 1405 . 2 1 1 A 120 120 LYS H H 120 7.723 7.663 0.060 1
1 1406 . 2 1 1 A 120 120 LYS HA H 120 4.198 4.446 -0.248 1
1 1415 . 2 1 1 A 120 120 LYS C C 120 176.162 176.227 -0.065 1
1 1416 . 2 1 1 A 120 120 LYS CA C 120 56.049 56.383 -0.334 1
1 1417 . 2 1 1 A 120 120 LYS CB C 120 32.924 32.745 0.179 1
1 1421 . 2 1 1 A 120 120 LYS N N 120 123.166 119.988 3.178 1
1 1422 . 2 1 1 A 121 121 ILE H H 121 7.874 7.415 0.459 1
1 1423 . 2 1 1 A 121 121 ILE HA H 121 4.035 4.550 -0.515 1
1 1433 . 2 1 1 A 121 121 ILE C C 121 175.950 174.517 1.433 1
1 1434 . 2 1 1 A 121 121 ILE CA C 121 61.120 60.826 0.294 1
1 1435 . 2 1 1 A 121 121 ILE CB C 121 38.708 39.383 -0.675 1
1 1439 . 2 1 1 A 121 121 ILE N N 121 121.301 120.908 0.393 1
1 1440 . 2 1 1 A 122 122 ASP H H 122 8.317 8.777 -0.460 1
1 1441 . 2 1 1 A 122 122 ASP HA H 122 4.677 5.312 -0.635 1
1 1444 . 2 1 1 A 122 122 ASP C C 122 176.278 175.675 0.603 1
1 1445 . 2 1 1 A 122 122 ASP CA C 122 54.157 52.110 2.047 1
1 1446 . 2 1 1 A 122 122 ASP CB C 122 41.316 44.366 -3.050 1
1 1447 . 2 1 1 A 122 122 ASP N N 122 124.058 128.209 -4.151 1
1 1448 . 2 1 1 A 123 123 THR H H 123 8.003 8.325 -0.322 1
1 1449 . 2 1 1 A 123 123 THR HA H 123 4.307 4.744 -0.437 1
1 1454 . 2 1 1 A 123 123 THR C C 123 173.831 174.687 -0.856 1
1 1455 . 2 1 1 A 123 123 THR CA C 123 61.715 60.961 0.754 1
1 1456 . 2 1 1 A 123 123 THR CB C 123 69.736 68.819 0.917 1
1 1458 . 2 1 1 A 123 123 THR N N 123 114.853 110.858 3.995 1
1 2 . 3 1 1 A 9 9 LYS H H 9 8.338 8.940 -0.602 1
1 3 . 3 1 1 A 9 9 LYS C C 9 176.402 174.786 1.616 1
1 4 . 3 1 1 A 9 9 LYS N N 9 122.857 118.006 4.851 1
1 5 . 3 1 1 A 10 10 ASP H H 10 8.335 8.483 -0.148 1
1 6 . 3 1 1 A 10 10 ASP HA H 10 4.562 4.921 -0.359 1
1 9 . 3 1 1 A 10 10 ASP C C 10 176.123 176.984 -0.861 1
1 10 . 3 1 1 A 10 10 ASP CA C 10 54.344 53.165 1.179 1
1 11 . 3 1 1 A 10 10 ASP CB C 10 41.227 42.557 -1.330 1
1 12 . 3 1 1 A 10 10 ASP N N 10 121.507 121.092 0.415 1
1 13 . 3 1 1 A 11 11 GLU H H 11 8.231 8.743 -0.512 1
1 14 . 3 1 1 A 11 11 GLU HA H 11 4.222 4.223 -0.001 1
1 19 . 3 1 1 A 11 11 GLU CA C 11 56.356 58.173 -1.817 1
1 20 . 3 1 1 A 11 11 GLU CB C 11 30.439 30.186 0.253 1
1 22 . 3 1 1 A 11 11 GLU N N 11 121.321 120.504 0.817 1
1 23 . 3 1 1 A 12 12 HIS H H 12 8.431 7.555 0.876 1
1 24 . 3 1 1 A 12 12 HIS HA H 12 4.618 5.265 -0.647 1
1 28 . 3 1 1 A 12 12 HIS C C 12 174.980 173.886 1.094 1
1 29 . 3 1 1 A 12 12 HIS CA C 12 55.952 55.015 0.937 1
1 30 . 3 1 1 A 12 12 HIS CB C 12 30.058 34.070 -4.012 1
1 32 . 3 1 1 A 12 12 HIS N N 12 120.447 115.005 5.442 1
1 33 . 3 1 1 A 13 13 LYS H H 13 8.191 8.646 -0.455 1
1 34 . 3 1 1 A 13 13 LYS HA H 13 4.355 4.722 -0.367 1
1 43 . 3 1 1 A 13 13 LYS C C 13 175.327 175.930 -0.603 1
1 44 . 3 1 1 A 13 13 LYS CA C 13 55.620 54.173 1.447 1
1 45 . 3 1 1 A 13 13 LYS CB C 13 33.729 35.650 -1.921 1
1 49 . 3 1 1 A 13 13 LYS N N 13 124.365 119.831 4.534 1
1 50 . 3 1 1 A 14 14 GLN H H 14 8.229 8.295 -0.066 1
1 51 . 3 1 1 A 14 14 GLN HA H 14 4.037 4.212 -0.175 1
1 58 . 3 1 1 A 14 14 GLN C C 14 173.432 175.175 -1.743 1
1 59 . 3 1 1 A 14 14 GLN CA C 14 54.613 55.743 -1.130 1
1 60 . 3 1 1 A 14 14 GLN CB C 14 29.096 28.461 0.635 1
1 62 . 3 1 1 A 14 14 GLN N N 14 123.823 121.401 2.422 1
1 64 . 3 1 1 A 15 15 GLN H H 15 7.896 8.410 -0.514 1
1 65 . 3 1 1 A 15 15 GLN HA H 15 5.459 4.963 0.496 1
1 70 . 3 1 1 A 15 15 GLN C C 15 174.263 174.797 -0.534 1
1 71 . 3 1 1 A 15 15 GLN CA C 15 54.506 55.364 -0.858 1
1 72 . 3 1 1 A 15 15 GLN CB C 15 31.418 31.664 -0.246 1
1 74 . 3 1 1 A 15 15 GLN N N 15 121.452 122.306 -0.854 1
1 75 . 3 1 1 A 16 16 GLY H H 16 8.795 8.512 0.283 1
1 76 . 3 1 1 A 16 16 GLY HA2 H 16 4.056 4.145 -0.089 1
1 77 . 3 1 1 A 16 16 GLY HA3 H 16 4.801 4.431 0.370 1
1 78 . 3 1 1 A 16 16 GLY C C 16 171.456 171.329 0.127 1
1 79 . 3 1 1 A 16 16 GLY CA C 16 44.773 46.027 -1.254 1
1 80 . 3 1 1 A 16 16 GLY N N 16 107.937 111.245 -3.308 1
1 81 . 3 1 1 A 17 17 GLU H H 17 8.718 8.481 0.237 1
1 82 . 3 1 1 A 17 17 GLU HA H 17 5.220 5.122 0.098 1
1 87 . 3 1 1 A 17 17 GLU C C 17 176.562 175.308 1.254 1
1 88 . 3 1 1 A 17 17 GLU CA C 17 55.880 54.581 1.299 1
1 89 . 3 1 1 A 17 17 GLU CB C 17 30.995 32.974 -1.979 1
1 91 . 3 1 1 A 17 17 GLU N N 17 119.686 121.703 -2.017 1
1 92 . 3 1 1 A 18 18 LEU H H 18 8.806 8.592 0.214 1
1 93 . 3 1 1 A 18 18 LEU HA H 18 4.652 4.739 -0.087 1
1 103 . 3 1 1 A 18 18 LEU C C 18 176.851 174.981 1.870 1
1 104 . 3 1 1 A 18 18 LEU CA C 18 53.786 52.770 1.016 1
1 105 . 3 1 1 A 18 18 LEU CB C 18 47.961 45.727 2.234 1
1 109 . 3 1 1 A 18 18 LEU N N 18 122.158 124.661 -2.503 1
1 110 . 3 1 1 A 19 19 TYR H H 19 8.833 8.134 0.699 1
1 111 . 3 1 1 A 19 19 TYR HA H 19 5.837 5.620 0.217 1
1 118 . 3 1 1 A 19 19 TYR C C 19 176.038 175.594 0.444 1
1 119 . 3 1 1 A 19 19 TYR CA C 19 56.750 56.751 -0.001 1
1 120 . 3 1 1 A 19 19 TYR CB C 19 40.531 42.044 -1.513 1
1 125 . 3 1 1 A 19 19 TYR N N 19 117.278 118.882 -1.604 1
1 126 . 3 1 1 A 20 20 MET H H 20 9.743 9.308 0.435 1
1 127 . 3 1 1 A 20 20 MET HA H 20 5.207 5.413 -0.206 1
1 135 . 3 1 1 A 20 20 MET C C 20 175.349 174.977 0.372 1
1 136 . 3 1 1 A 20 20 MET CA C 20 54.611 54.443 0.168 1
1 137 . 3 1 1 A 20 20 MET CB C 20 37.352 36.422 0.930 1
1 140 . 3 1 1 A 20 20 MET N N 20 120.128 121.002 -0.874 1
1 141 . 3 1 1 A 21 21 TRP H H 21 8.142 8.216 -0.074 1
1 142 . 3 1 1 A 21 21 TRP HA H 21 4.084 3.570 0.514 1
1 150 . 3 1 1 A 21 21 TRP C C 21 174.752 174.447 0.305 1
1 151 . 3 1 1 A 21 21 TRP CA C 21 56.246 58.393 -2.147 1
1 152 . 3 1 1 A 21 21 TRP CB C 21 29.682 29.762 -0.080 1
1 157 . 3 1 1 A 21 21 TRP N N 21 126.799 125.378 1.421 1
1 159 . 3 1 1 A 22 22 ASP H H 22 8.034 7.492 0.542 1
1 160 . 3 1 1 A 22 22 ASP HA H 22 4.417 4.533 -0.116 1
1 163 . 3 1 1 A 22 22 ASP C C 22 175.814 175.805 0.009 1
1 164 . 3 1 1 A 22 22 ASP CA C 22 52.020 52.411 -0.391 1
1 165 . 3 1 1 A 22 22 ASP CB C 22 41.748 41.132 0.616 1
1 166 . 3 1 1 A 22 22 ASP N N 22 129.313 127.039 2.274 1
1 167 . 3 1 1 A 23 23 SER H H 23 8.331 8.339 -0.008 1
1 168 . 3 1 1 A 23 23 SER HA H 23 3.719 3.911 -0.192 1
1 171 . 3 1 1 A 23 23 SER C C 23 175.145 176.543 -1.398 1
1 172 . 3 1 1 A 23 23 SER CA C 23 59.732 60.590 -0.858 1
1 173 . 3 1 1 A 23 23 SER CB C 23 63.304 62.919 0.385 1
1 174 . 3 1 1 A 23 23 SER N N 23 119.796 118.284 1.512 1
1 175 . 3 1 1 A 24 24 ILE H H 24 8.044 7.511 0.533 1
1 176 . 3 1 1 A 24 24 ILE HA H 24 3.849 3.533 0.316 1
1 186 . 3 1 1 A 24 24 ILE C C 24 177.615 177.066 0.549 1
1 187 . 3 1 1 A 24 24 ILE CA C 24 63.257 65.453 -2.196 1
1 188 . 3 1 1 A 24 24 ILE CB C 24 36.400 38.228 -1.828 1
1 192 . 3 1 1 A 24 24 ILE N N 24 124.085 122.416 1.669 1
1 193 . 3 1 1 A 25 25 ASP H H 25 7.641 7.791 -0.150 1
1 194 . 3 1 1 A 25 25 ASP HA H 25 4.492 4.631 -0.139 1
1 197 . 3 1 1 A 25 25 ASP C C 25 175.486 175.094 0.392 1
1 198 . 3 1 1 A 25 25 ASP CA C 25 54.313 53.445 0.868 1
1 199 . 3 1 1 A 25 25 ASP CB C 25 40.789 41.611 -0.822 1
1 200 . 3 1 1 A 25 25 ASP N N 25 118.371 118.261 0.110 1
1 201 . 3 1 1 A 26 26 GLN H H 26 7.340 7.529 -0.189 1
1 202 . 3 1 1 A 26 26 GLN HA H 26 2.828 3.443 -0.615 1
1 209 . 3 1 1 A 26 26 GLN C C 26 173.882 174.515 -0.633 1
1 210 . 3 1 1 A 26 26 GLN CA C 26 55.956 56.629 -0.673 1
1 211 . 3 1 1 A 26 26 GLN CB C 26 25.070 26.677 -1.607 1
1 213 . 3 1 1 A 26 26 GLN N N 26 116.358 116.065 0.293 1
1 215 . 3 1 1 A 27 27 LYS H H 27 6.283 6.581 -0.298 1
1 216 . 3 1 1 A 27 27 LYS HA H 27 4.395 4.869 -0.474 1
1 225 . 3 1 1 A 27 27 LYS C C 27 173.510 174.171 -0.661 1
1 226 . 3 1 1 A 27 27 LYS CA C 27 54.164 55.046 -0.882 1
1 227 . 3 1 1 A 27 27 LYS CB C 27 35.825 34.409 1.416 1
1 231 . 3 1 1 A 27 27 LYS N N 27 114.611 113.684 0.927 1
1 232 . 3 1 1 A 28 28 TRP H H 28 8.751 8.805 -0.054 1
1 233 . 3 1 1 A 28 28 TRP HA H 28 5.383 5.571 -0.188 1
1 242 . 3 1 1 A 28 28 TRP C C 28 177.411 176.501 0.910 1
1 243 . 3 1 1 A 28 28 TRP CA C 28 55.957 55.495 0.462 1
1 244 . 3 1 1 A 28 28 TRP CB C 28 30.752 31.262 -0.510 1
1 250 . 3 1 1 A 28 28 TRP N N 28 121.520 119.375 2.145 1
1 252 . 3 1 1 A 29 29 THR H H 29 9.413 9.099 0.314 1
1 253 . 3 1 1 A 29 29 THR HA H 29 4.852 5.011 -0.159 1
1 258 . 3 1 1 A 29 29 THR C C 29 173.520 172.423 1.097 1
1 259 . 3 1 1 A 29 29 THR CA C 29 60.308 59.606 0.702 1
1 260 . 3 1 1 A 29 29 THR CB C 29 69.736 71.006 -1.270 1
1 262 . 3 1 1 A 29 29 THR N N 29 117.059 113.695 3.364 1
1 263 . 3 1 1 A 30 30 ARG H H 30 9.117 8.627 0.490 1
1 264 . 3 1 1 A 30 30 ARG HA H 30 4.790 4.318 0.472 1
1 272 . 3 1 1 A 30 30 ARG C C 30 174.447 174.846 -0.399 1
1 273 . 3 1 1 A 30 30 ARG CA C 30 55.949 54.690 1.259 1
1 274 . 3 1 1 A 30 30 ARG CB C 30 33.388 31.520 1.868 1
1 277 . 3 1 1 A 30 30 ARG N N 30 126.027 121.659 4.368 1
1 278 . 3 1 1 A 31 31 HIS H H 31 9.011 8.705 0.306 1
1 279 . 3 1 1 A 31 31 HIS HA H 31 4.636 5.094 -0.458 1
1 282 . 3 1 1 A 31 31 HIS C C 31 173.947 173.641 0.306 1
1 283 . 3 1 1 A 31 31 HIS CA C 31 55.185 54.452 0.733 1
1 284 . 3 1 1 A 31 31 HIS CB C 31 33.332 34.015 -0.683 1
1 285 . 3 1 1 A 31 31 HIS N N 31 121.017 124.373 -3.356 1
1 286 . 3 1 1 A 32 32 TYR H H 32 9.361 9.033 0.328 1
1 287 . 3 1 1 A 32 32 TYR HA H 32 4.745 5.150 -0.405 1
1 294 . 3 1 1 A 32 32 TYR C C 32 176.298 174.409 1.889 1
1 295 . 3 1 1 A 32 32 TYR CA C 32 59.316 56.294 3.022 1
1 296 . 3 1 1 A 32 32 TYR CB C 32 39.341 40.105 -0.764 1
1 301 . 3 1 1 A 32 32 TYR N N 32 124.440 123.186 1.254 1
1 302 . 3 1 1 A 33 33 CYS H H 33 8.750 8.243 0.507 1
1 303 . 3 1 1 A 33 33 CYS HA H 33 5.857 5.190 0.667 1
1 306 . 3 1 1 A 33 33 CYS C C 33 172.735 174.190 -1.455 1
1 307 . 3 1 1 A 33 33 CYS CA C 33 57.108 57.740 -0.632 1
1 308 . 3 1 1 A 33 33 CYS CB C 33 32.779 29.652 3.127 1
1 309 . 3 1 1 A 33 33 CYS N N 33 127.462 126.888 0.574 1
1 310 . 3 1 1 A 34 34 ALA H H 34 8.565 8.991 -0.426 1
1 311 . 3 1 1 A 34 34 ALA HA H 34 5.290 5.001 0.289 1
1 315 . 3 1 1 A 34 34 ALA C C 34 176.215 175.852 0.363 1
1 316 . 3 1 1 A 34 34 ALA CA C 34 51.773 52.081 -0.308 1
1 317 . 3 1 1 A 34 34 ALA CB C 34 23.139 21.398 1.741 1
1 318 . 3 1 1 A 34 34 ALA N N 34 121.115 122.902 -1.787 1
1 319 . 3 1 1 A 35 35 ILE H H 35 8.413 9.055 -0.642 1
1 320 . 3 1 1 A 35 35 ILE HA H 35 5.275 4.904 0.371 1
1 330 . 3 1 1 A 35 35 ILE C C 35 175.768 175.379 0.389 1
1 331 . 3 1 1 A 35 35 ILE CA C 35 60.105 60.225 -0.120 1
1 332 . 3 1 1 A 35 35 ILE CB C 35 39.737 38.541 1.196 1
1 336 . 3 1 1 A 35 35 ILE N N 35 120.176 123.973 -3.797 1
1 337 . 3 1 1 A 36 36 ALA H H 36 8.666 8.925 -0.259 1
1 338 . 3 1 1 A 36 36 ALA HA H 36 4.581 4.459 0.122 1
1 342 . 3 1 1 A 36 36 ALA CA C 36 52.028 52.149 -0.121 1
1 343 . 3 1 1 A 36 36 ALA CB C 36 21.365 21.779 -0.414 1
1 344 . 3 1 1 A 36 36 ALA N N 36 129.732 127.564 2.168 1
1 345 . 3 1 1 A 37 37 ASP H H 37 9.379 9.384 -0.005 1
1 346 . 3 1 1 A 37 37 ASP HA H 37 4.228 4.311 -0.083 1
1 349 . 3 1 1 A 37 37 ASP C C 37 174.579 175.319 -0.740 1
1 350 . 3 1 1 A 37 37 ASP CA C 37 55.822 55.634 0.188 1
1 351 . 3 1 1 A 37 37 ASP CB C 37 39.784 39.235 0.549 1
1 352 . 3 1 1 A 37 37 ASP N N 37 124.926 125.445 -0.519 1
1 353 . 3 1 1 A 38 38 ALA H H 38 8.710 8.351 0.359 1
1 354 . 3 1 1 A 38 38 ALA HA H 38 3.911 3.896 0.015 1
1 358 . 3 1 1 A 38 38 ALA C C 38 174.866 176.131 -1.265 1
1 359 . 3 1 1 A 38 38 ALA CA C 38 53.040 53.662 -0.622 1
1 360 . 3 1 1 A 38 38 ALA CB C 38 17.654 17.793 -0.139 1
1 361 . 3 1 1 A 38 38 ALA N N 38 115.547 113.538 2.009 1
1 362 . 3 1 1 A 39 39 LYS H H 39 8.054 7.490 0.564 1
1 363 . 3 1 1 A 39 39 LYS HA H 39 5.247 5.134 0.113 1
1 372 . 3 1 1 A 39 39 LYS C C 39 175.201 174.060 1.141 1
1 373 . 3 1 1 A 39 39 LYS CA C 39 54.583 54.949 -0.366 1
1 374 . 3 1 1 A 39 39 LYS CB C 39 34.824 35.112 -0.288 1
1 378 . 3 1 1 A 39 39 LYS N N 39 117.589 116.614 0.975 1
1 379 . 3 1 1 A 40 40 LEU H H 40 9.090 8.911 0.179 1
1 380 . 3 1 1 A 40 40 LEU HA H 40 5.353 5.172 0.181 1
1 390 . 3 1 1 A 40 40 LEU C C 40 175.382 174.924 0.458 1
1 391 . 3 1 1 A 40 40 LEU CA C 40 53.987 53.609 0.378 1
1 392 . 3 1 1 A 40 40 LEU CB C 40 45.718 44.685 1.033 1
1 396 . 3 1 1 A 40 40 LEU N N 40 126.300 127.201 -0.901 1
1 397 . 3 1 1 A 41 41 SER H H 41 9.539 8.771 0.768 1
1 398 . 3 1 1 A 41 41 SER HA H 41 5.493 5.291 0.202 1
1 401 . 3 1 1 A 41 41 SER C C 41 173.435 173.763 -0.328 1
1 402 . 3 1 1 A 41 41 SER CA C 41 56.816 57.990 -1.174 1
1 403 . 3 1 1 A 41 41 SER CB C 41 65.706 63.961 1.745 1
1 404 . 3 1 1 A 41 41 SER N N 41 123.399 124.791 -1.392 1
1 405 . 3 1 1 A 42 42 PHE H H 42 8.344 8.225 0.119 1
1 406 . 3 1 1 A 42 42 PHE HA H 42 5.888 5.600 0.288 1
1 414 . 3 1 1 A 42 42 PHE C C 42 175.198 175.199 -0.001 1
1 415 . 3 1 1 A 42 42 PHE CA C 42 54.335 55.504 -1.169 1
1 416 . 3 1 1 A 42 42 PHE CB C 42 43.360 41.296 2.064 1
1 422 . 3 1 1 A 42 42 PHE N N 42 117.935 123.582 -5.647 1
1 423 . 3 1 1 A 43 43 SER H H 43 8.843 8.684 0.159 1
1 424 . 3 1 1 A 43 43 SER HA H 43 4.918 5.206 -0.288 1
1 427 . 3 1 1 A 43 43 SER C C 43 175.040 174.388 0.652 1
1 428 . 3 1 1 A 43 43 SER CA C 43 58.215 57.078 1.137 1
1 429 . 3 1 1 A 43 43 SER CB C 43 66.789 65.359 1.430 1
1 430 . 3 1 1 A 43 43 SER N N 43 117.280 116.227 1.053 1
1 431 . 3 1 1 A 44 44 ASP H H 44 8.818 8.177 0.641 1
1 432 . 3 1 1 A 44 44 ASP HA H 44 4.909 4.648 0.261 1
1 435 . 3 1 1 A 44 44 ASP C C 44 175.955 175.549 0.406 1
1 436 . 3 1 1 A 44 44 ASP CA C 44 54.815 53.979 0.836 1
1 437 . 3 1 1 A 44 44 ASP CB C 44 41.729 41.273 0.456 1
1 438 . 3 1 1 A 44 44 ASP N N 44 120.846 120.668 0.178 1
1 439 . 3 1 1 A 45 45 ASP H H 45 8.726 8.568 0.158 1
1 440 . 3 1 1 A 45 45 ASP HA H 45 4.273 4.489 -0.216 1
1 443 . 3 1 1 A 45 45 ASP C C 45 177.889 177.330 0.559 1
1 444 . 3 1 1 A 45 45 ASP CA C 45 54.145 54.929 -0.784 1
1 445 . 3 1 1 A 45 45 ASP CB C 45 41.329 41.334 -0.005 1
1 446 . 3 1 1 A 45 45 ASP N N 45 120.848 120.430 0.418 1
1 447 . 3 1 1 A 46 46 ILE H H 46 8.369 8.474 -0.105 1
1 448 . 3 1 1 A 46 46 ILE HA H 46 4.079 4.312 -0.233 1
1 458 . 3 1 1 A 46 46 ILE C C 46 177.339 177.000 0.339 1
1 459 . 3 1 1 A 46 46 ILE CA C 46 62.357 61.620 0.737 1
1 460 . 3 1 1 A 46 46 ILE CB C 46 38.708 39.029 -0.321 1
1 464 . 3 1 1 A 46 46 ILE N N 46 123.832 119.338 4.494 1
1 465 . 3 1 1 A 47 47 GLU H H 47 8.577 8.270 0.307 1
1 466 . 3 1 1 A 47 47 GLU HA H 47 4.258 4.579 -0.321 1
1 471 . 3 1 1 A 47 47 GLU C C 47 177.164 178.431 -1.267 1
1 472 . 3 1 1 A 47 47 GLU CA C 47 57.249 57.031 0.218 1
1 473 . 3 1 1 A 47 47 GLU CB C 47 29.900 31.440 -1.540 1
1 475 . 3 1 1 A 47 47 GLU N N 47 122.294 120.514 1.780 1
1 476 . 3 1 1 A 48 48 GLN H H 48 7.894 7.807 0.087 1
1 477 . 3 1 1 A 48 48 GLN HA H 48 4.365 4.102 0.263 1
1 484 . 3 1 1 A 48 48 GLN C C 48 176.278 175.893 0.385 1
1 485 . 3 1 1 A 48 48 GLN CA C 48 55.830 58.428 -2.598 1
1 486 . 3 1 1 A 48 48 GLN CB C 48 29.383 28.491 0.892 1
1 488 . 3 1 1 A 48 48 GLN N N 48 118.968 119.873 -0.905 1
1 490 . 3 1 1 A 49 49 THR H H 49 8.048 8.043 0.005 1
1 491 . 3 1 1 A 49 49 THR HA H 49 4.331 4.076 0.255 1
1 496 . 3 1 1 A 49 49 THR C C 49 174.784 174.708 0.076 1
1 497 . 3 1 1 A 49 49 THR CA C 49 62.135 62.799 -0.664 1
1 498 . 3 1 1 A 49 49 THR CB C 49 69.736 66.417 3.319 1
1 500 . 3 1 1 A 49 49 THR N N 49 114.601 112.674 1.927 1
1 501 . 3 1 1 A 50 50 MET H H 50 8.409 8.586 -0.177 1
1 502 . 3 1 1 A 50 50 MET HA H 50 4.510 4.678 -0.168 1
1 510 . 3 1 1 A 50 50 MET C C 50 176.451 176.298 0.153 1
1 511 . 3 1 1 A 50 50 MET CA C 50 55.601 54.308 1.293 1
1 512 . 3 1 1 A 50 50 MET CB C 50 32.850 31.807 1.043 1
1 515 . 3 1 1 A 50 50 MET N N 50 122.660 123.830 -1.170 1
1 516 . 3 1 1 A 51 51 GLU H H 51 8.418 7.421 0.997 1
1 517 . 3 1 1 A 51 51 GLU HA H 51 4.272 4.341 -0.069 1
1 522 . 3 1 1 A 51 51 GLU C C 51 176.777 177.022 -0.245 1
1 523 . 3 1 1 A 51 51 GLU CA C 51 56.680 55.841 0.839 1
1 524 . 3 1 1 A 51 51 GLU CB C 51 30.262 30.186 0.076 1
1 526 . 3 1 1 A 51 51 GLU N N 51 121.650 119.428 2.222 1
1 527 . 3 1 1 A 52 52 GLU H H 52 8.325 8.945 -0.620 1
1 528 . 3 1 1 A 52 52 GLU HA H 52 4.174 3.896 0.278 1
1 533 . 3 1 1 A 52 52 GLU C C 52 176.178 177.356 -1.178 1
1 534 . 3 1 1 A 52 52 GLU N N 52 120.869 124.668 -3.799 1
1 535 . 3 1 1 A 53 53 ASP H H 53 8.320 7.964 0.356 1
1 536 . 3 1 1 A 53 53 ASP HA H 53 4.527 4.774 -0.247 1
1 539 . 3 1 1 A 53 53 ASP C C 53 175.650 175.331 0.319 1
1 540 . 3 1 1 A 53 53 ASP CA C 53 54.322 53.702 0.620 1
1 541 . 3 1 1 A 53 53 ASP CB C 53 41.040 40.801 0.239 1
1 542 . 3 1 1 A 53 53 ASP N N 53 119.656 116.687 2.969 1
1 543 . 3 1 1 A 54 54 ASN H H 54 8.134 8.083 0.051 1
1 544 . 3 1 1 A 54 54 ASN HA H 54 4.970 4.443 0.527 1
1 549 . 3 1 1 A 54 54 ASN CA C 54 51.120 53.940 -2.820 1
1 550 . 3 1 1 A 54 54 ASN CB C 54 39.125 36.899 2.226 1
1 551 . 3 1 1 A 54 54 ASN N N 54 118.436 116.331 2.105 1
1 553 . 3 1 1 A 55 55 PRO HA H 55 4.394 4.524 -0.130 1
1 560 . 3 1 1 A 55 55 PRO C C 55 177.514 177.032 0.482 1
1 561 . 3 1 1 A 55 55 PRO CA C 55 63.910 64.503 -0.593 1
1 562 . 3 1 1 A 55 55 PRO CB C 55 32.077 32.153 -0.076 1
1 565 . 3 1 1 A 56 56 LEU H H 56 8.181 7.197 0.984 1
1 566 . 3 1 1 A 56 56 LEU HA H 56 4.268 4.718 -0.450 1
1 576 . 3 1 1 A 56 56 LEU C C 56 178.176 174.405 3.771 1
1 577 . 3 1 1 A 56 56 LEU CA C 56 55.542 54.268 1.274 1
1 578 . 3 1 1 A 56 56 LEU CB C 56 41.783 43.854 -2.071 1
1 582 . 3 1 1 A 56 56 LEU N N 56 120.122 117.048 3.074 1
1 583 . 3 1 1 A 57 57 GLY H H 57 8.071 9.183 -1.112 1
1 584 . 3 1 1 A 57 57 GLY HA2 H 57 3.946 4.107 -0.161 1
1 585 . 3 1 1 A 57 57 GLY HA3 H 57 3.946 4.108 -0.162 1
1 586 . 3 1 1 A 57 57 GLY C C 57 174.306 174.302 0.004 1
1 587 . 3 1 1 A 57 57 GLY CA C 57 45.460 45.870 -0.410 1
1 588 . 3 1 1 A 57 57 GLY N N 57 108.437 114.419 -5.982 1
1 589 . 3 1 1 A 58 58 SER H H 58 8.170 8.803 -0.633 1
1 590 . 3 1 1 A 58 58 SER HA H 58 4.460 4.534 -0.074 1
1 593 . 3 1 1 A 58 58 SER C C 58 174.785 174.793 -0.008 1
1 594 . 3 1 1 A 58 58 SER CA C 58 58.319 58.000 0.319 1
1 595 . 3 1 1 A 58 58 SER CB C 58 63.792 64.470 -0.678 1
1 596 . 3 1 1 A 58 58 SER N N 58 115.478 118.960 -3.482 1
1 597 . 3 1 1 A 59 59 LEU H H 59 8.278 8.622 -0.344 1
1 598 . 3 1 1 A 59 59 LEU HA H 59 4.384 3.995 0.389 1
1 608 . 3 1 1 A 59 59 LEU CA C 59 55.219 58.662 -3.443 1
1 609 . 3 1 1 A 59 59 LEU CB C 59 42.377 41.981 0.396 1
1 613 . 3 1 1 A 59 59 LEU N N 59 124.033 124.071 -0.038 1
1 614 . 3 1 1 A 60 60 CYS H H 60 8.331 7.983 0.348 1
1 615 . 3 1 1 A 60 60 CYS HA H 60 4.398 4.335 0.063 1
1 618 . 3 1 1 A 60 60 CYS C C 60 174.142 174.283 -0.141 1
1 619 . 3 1 1 A 60 60 CYS CA C 60 58.505 59.157 -0.652 1
1 620 . 3 1 1 A 60 60 CYS CB C 60 27.338 27.220 0.118 1
1 621 . 3 1 1 A 60 60 CYS N N 60 120.390 117.378 3.012 1
1 622 . 3 1 1 A 61 61 ARG H H 61 8.632 8.693 -0.061 1
1 623 . 3 1 1 A 61 61 ARG HA H 61 4.337 4.139 0.198 1
1 630 . 3 1 1 A 61 61 ARG C C 61 176.096 175.804 0.292 1
1 631 . 3 1 1 A 61 61 ARG CA C 61 56.003 57.392 -1.389 1
1 632 . 3 1 1 A 61 61 ARG CB C 61 30.757 31.439 -0.682 1
1 635 . 3 1 1 A 61 61 ARG N N 61 125.869 127.573 -1.704 1
1 636 . 3 1 1 A 62 62 GLY H H 62 7.263 6.330 0.933 1
1 637 . 3 1 1 A 62 62 GLY HA2 H 62 3.008 3.505 -0.497 1
1 638 . 3 1 1 A 62 62 GLY HA3 H 62 3.875 3.811 0.064 1
1 639 . 3 1 1 A 62 62 GLY C C 62 170.609 170.594 0.015 1
1 640 . 3 1 1 A 62 62 GLY CA C 62 44.808 44.497 0.311 1
1 641 . 3 1 1 A 62 62 GLY N N 62 107.908 105.078 2.830 1
1 642 . 3 1 1 A 63 63 ILE H H 63 7.895 8.305 -0.410 1
1 643 . 3 1 1 A 63 63 ILE HA H 63 4.843 5.230 -0.387 1
1 653 . 3 1 1 A 63 63 ILE C C 63 175.450 174.866 0.584 1
1 654 . 3 1 1 A 63 63 ILE CA C 63 60.322 59.937 0.385 1
1 655 . 3 1 1 A 63 63 ILE CB C 63 41.957 42.221 -0.264 1
1 659 . 3 1 1 A 63 63 ILE N N 63 117.987 121.038 -3.051 1
1 660 . 3 1 1 A 64 64 LEU H H 64 9.429 9.161 0.268 1
1 661 . 3 1 1 A 64 64 LEU HA H 64 4.916 4.856 0.060 1
1 671 . 3 1 1 A 64 64 LEU C C 64 176.136 176.820 -0.684 1
1 672 . 3 1 1 A 64 64 LEU CA C 64 53.059 53.851 -0.792 1
1 673 . 3 1 1 A 64 64 LEU CB C 64 43.788 42.247 1.541 1
1 677 . 3 1 1 A 64 64 LEU N N 64 127.063 126.865 0.198 1
1 678 . 3 1 1 A 65 65 ASP H H 65 9.241 8.918 0.323 1
1 679 . 3 1 1 A 65 65 ASP HA H 65 4.818 4.285 0.533 1
1 682 . 3 1 1 A 65 65 ASP C C 65 177.925 175.958 1.967 1
1 683 . 3 1 1 A 65 65 ASP CA C 65 53.628 57.013 -3.385 1
1 684 . 3 1 1 A 65 65 ASP CB C 65 40.307 41.563 -1.256 1
1 685 . 3 1 1 A 65 65 ASP N N 65 122.728 127.227 -4.499 1
1 686 . 3 1 1 A 66 66 LEU H H 66 8.766 8.043 0.723 1
1 687 . 3 1 1 A 66 66 LEU HA H 66 4.212 4.173 0.039 1
1 697 . 3 1 1 A 66 66 LEU C C 66 177.167 176.653 0.514 1
1 698 . 3 1 1 A 66 66 LEU CA C 66 57.854 56.457 1.397 1
1 699 . 3 1 1 A 66 66 LEU CB C 66 41.006 40.189 0.817 1
1 703 . 3 1 1 A 66 66 LEU N N 66 126.997 118.597 8.400 1
1 704 . 3 1 1 A 67 67 ASN H H 67 8.585 8.398 0.187 1
1 705 . 3 1 1 A 67 67 ASN HA H 67 4.721 4.938 -0.217 1
1 710 . 3 1 1 A 67 67 ASN C C 67 176.583 175.704 0.879 1
1 711 . 3 1 1 A 67 67 ASN CA C 67 55.648 53.695 1.953 1
1 712 . 3 1 1 A 67 67 ASN CB C 67 38.464 40.029 -1.565 1
1 713 . 3 1 1 A 67 67 ASN N N 67 113.883 114.901 -1.018 1
1 715 . 3 1 1 A 68 68 THR H H 68 8.007 8.004 0.003 1
1 716 . 3 1 1 A 68 68 THR HA H 68 4.513 4.639 -0.126 1
1 721 . 3 1 1 A 68 68 THR C C 68 172.870 173.538 -0.668 1
1 722 . 3 1 1 A 68 68 THR CA C 68 61.441 60.314 1.127 1
1 723 . 3 1 1 A 68 68 THR CB C 68 69.432 68.746 0.686 1
1 725 . 3 1 1 A 68 68 THR N N 68 108.340 105.982 2.358 1
1 726 . 3 1 1 A 69 69 TYR H H 69 7.560 7.893 -0.333 1
1 727 . 3 1 1 A 69 69 TYR HA H 69 5.199 5.509 -0.310 1
1 734 . 3 1 1 A 69 69 TYR C C 69 174.283 174.654 -0.371 1
1 735 . 3 1 1 A 69 69 TYR CA C 69 57.848 56.338 1.510 1
1 736 . 3 1 1 A 69 69 TYR CB C 69 44.393 43.528 0.865 1
1 741 . 3 1 1 A 69 69 TYR N N 69 119.888 121.764 -1.876 1
1 742 . 3 1 1 A 70 70 ASN H H 70 9.116 9.029 0.087 1
1 743 . 3 1 1 A 70 70 ASN HA H 70 5.162 5.451 -0.289 1
1 748 . 3 1 1 A 70 70 ASN C C 70 174.340 174.103 0.237 1
1 749 . 3 1 1 A 70 70 ASN CA C 70 52.364 52.633 -0.269 1
1 750 . 3 1 1 A 70 70 ASN CB C 70 42.062 43.075 -1.013 1
1 751 . 3 1 1 A 70 70 ASN N N 70 116.071 117.688 -1.617 1
1 753 . 3 1 1 A 71 71 VAL H H 71 8.564 9.018 -0.454 1
1 754 . 3 1 1 A 71 71 VAL HA H 71 5.766 4.909 0.857 1
1 762 . 3 1 1 A 71 71 VAL C C 71 173.261 175.594 -2.333 1
1 763 . 3 1 1 A 71 71 VAL CA C 71 59.076 61.968 -2.892 1
1 764 . 3 1 1 A 71 71 VAL CB C 71 34.982 32.912 2.070 1
1 767 . 3 1 1 A 71 71 VAL N N 71 120.784 124.574 -3.790 1
1 768 . 3 1 1 A 72 72 VAL H H 72 9.308 8.638 0.670 1
1 769 . 3 1 1 A 72 72 VAL HA H 72 4.806 4.636 0.170 1
1 777 . 3 1 1 A 72 72 VAL C C 72 175.047 173.992 1.055 1
1 778 . 3 1 1 A 72 72 VAL CA C 72 60.330 59.773 0.557 1
1 779 . 3 1 1 A 72 72 VAL CB C 72 36.467 34.858 1.609 1
1 782 . 3 1 1 A 72 72 VAL N N 72 125.272 120.917 4.355 1
1 783 . 3 1 1 A 73 73 LYS H H 73 8.793 8.206 0.587 1
1 784 . 3 1 1 A 73 73 LYS HA H 73 4.652 3.002 1.650 1
1 793 . 3 1 1 A 73 73 LYS C C 73 176.241 174.742 1.499 1
1 794 . 3 1 1 A 73 73 LYS CA C 73 55.799 55.726 0.073 1
1 795 . 3 1 1 A 73 73 LYS CB C 73 33.452 32.229 1.223 1
1 799 . 3 1 1 A 73 73 LYS N N 73 124.197 126.464 -2.267 1
1 800 . 3 1 1 A 74 74 ALA H H 74 8.172 8.334 -0.162 1
1 801 . 3 1 1 A 74 74 ALA HA H 74 4.849 4.279 0.570 1
1 805 . 3 1 1 A 74 74 ALA CA C 74 49.540 50.104 -0.564 1
1 806 . 3 1 1 A 74 74 ALA CB C 74 17.685 19.309 -1.624 1
1 807 . 3 1 1 A 74 74 ALA N N 74 128.026 129.977 -1.951 1
1 808 . 3 1 1 A 75 75 PRO HA H 75 4.351 4.321 0.030 1
1 815 . 3 1 1 A 75 75 PRO CA C 75 65.256 65.077 0.179 1
1 816 . 3 1 1 A 75 75 PRO CB C 75 32.158 31.782 0.376 1
1 819 . 3 1 1 A 76 76 GLN H H 76 8.660 8.022 0.638 1
1 820 . 3 1 1 A 76 76 GLN HA H 76 4.561 4.321 0.240 1
1 825 . 3 1 1 A 76 76 GLN C C 76 176.426 176.446 -0.020 1
1 826 . 3 1 1 A 76 76 GLN CA C 76 55.168 55.683 -0.515 1
1 827 . 3 1 1 A 76 76 GLN CB C 76 28.925 28.639 0.286 1
1 829 . 3 1 1 A 76 76 GLN N N 76 116.110 117.243 -1.133 1
1 830 . 3 1 1 A 77 77 GLY H H 77 7.527 8.032 -0.505 1
1 831 . 3 1 1 A 77 77 GLY HA2 H 77 3.382 3.846 -0.464 1
1 832 . 3 1 1 A 77 77 GLY HA3 H 77 4.505 3.866 0.639 1
1 833 . 3 1 1 A 77 77 GLY C C 77 172.487 174.590 -2.103 1
1 834 . 3 1 1 A 77 77 GLY CA C 77 44.852 46.309 -1.457 1
1 835 . 3 1 1 A 77 77 GLY N N 77 107.608 107.859 -0.251 1
1 836 . 3 1 1 A 78 78 LYS H H 78 8.123 8.580 -0.457 1
1 837 . 3 1 1 A 78 78 LYS HA H 78 4.191 4.487 -0.296 1
1 846 . 3 1 1 A 78 78 LYS C C 78 175.300 174.936 0.364 1
1 847 . 3 1 1 A 78 78 LYS CA C 78 56.737 57.478 -0.741 1
1 848 . 3 1 1 A 78 78 LYS CB C 78 35.900 35.077 0.823 1
1 852 . 3 1 1 A 78 78 LYS N N 78 117.756 124.178 -6.422 1
1 853 . 3 1 1 A 79 79 ASN H H 79 9.105 8.149 0.956 1
1 854 . 3 1 1 A 79 79 ASN HA H 79 4.099 4.867 -0.768 1
1 859 . 3 1 1 A 79 79 ASN C C 79 175.098 175.125 -0.027 1
1 860 . 3 1 1 A 79 79 ASN CA C 79 54.563 51.791 2.772 1
1 861 . 3 1 1 A 79 79 ASN CB C 79 37.353 40.314 -2.961 1
1 862 . 3 1 1 A 79 79 ASN N N 79 120.643 116.284 4.359 1
1 864 . 3 1 1 A 80 80 GLN H H 80 8.608 8.680 -0.072 1
1 865 . 3 1 1 A 80 80 GLN HA H 80 3.648 3.866 -0.218 1
1 870 . 3 1 1 A 80 80 GLN C C 80 175.327 174.593 0.734 1
1 871 . 3 1 1 A 80 80 GLN CA C 80 57.975 57.266 0.709 1
1 872 . 3 1 1 A 80 80 GLN CB C 80 26.506 26.938 -0.432 1
1 874 . 3 1 1 A 80 80 GLN N N 80 108.385 120.648 -12.263 1
1 875 . 3 1 1 A 81 81 LYS H H 81 7.608 7.612 -0.004 1
1 876 . 3 1 1 A 81 81 LYS HA H 81 4.325 4.674 -0.349 1
1 885 . 3 1 1 A 81 81 LYS C C 81 176.242 175.842 0.400 1
1 886 . 3 1 1 A 81 81 LYS CA C 81 54.186 54.405 -0.219 1
1 887 . 3 1 1 A 81 81 LYS CB C 81 33.385 35.076 -1.691 1
1 891 . 3 1 1 A 81 81 LYS N N 81 119.675 119.371 0.304 1
1 892 . 3 1 1 A 82 82 SER H H 82 7.692 8.230 -0.538 1
1 893 . 3 1 1 A 82 82 SER HA H 82 3.850 4.453 -0.603 1
1 896 . 3 1 1 A 82 82 SER C C 82 174.045 173.889 0.156 1
1 897 . 3 1 1 A 82 82 SER CA C 82 60.984 59.732 1.252 1
1 898 . 3 1 1 A 82 82 SER CB C 82 62.962 64.520 -1.558 1
1 899 . 3 1 1 A 82 82 SER N N 82 117.008 114.950 2.058 1
1 900 . 3 1 1 A 83 83 PHE H H 83 8.545 7.558 0.987 1
1 901 . 3 1 1 A 83 83 PHE HA H 83 4.921 4.926 -0.005 1
1 908 . 3 1 1 A 83 83 PHE C C 83 172.686 175.109 -2.423 1
1 909 . 3 1 1 A 83 83 PHE CA C 83 55.383 56.859 -1.476 1
1 910 . 3 1 1 A 83 83 PHE CB C 83 37.774 39.248 -1.474 1
1 915 . 3 1 1 A 83 83 PHE N N 83 124.073 116.657 7.416 1
1 916 . 3 1 1 A 84 84 VAL H H 84 8.420 8.759 -0.339 1
1 917 . 3 1 1 A 84 84 VAL HA H 84 5.348 5.119 0.229 1
1 925 . 3 1 1 A 84 84 VAL C C 84 175.816 174.886 0.930 1
1 926 . 3 1 1 A 84 84 VAL CA C 84 60.177 60.464 -0.287 1
1 927 . 3 1 1 A 84 84 VAL CB C 84 37.646 35.970 1.676 1
1 930 . 3 1 1 A 84 84 VAL N N 84 123.085 123.234 -0.149 1
1 931 . 3 1 1 A 85 85 PHE H H 85 8.812 8.881 -0.069 1
1 932 . 3 1 1 A 85 85 PHE HA H 85 5.510 5.170 0.340 1
1 940 . 3 1 1 A 85 85 PHE C C 85 171.610 174.521 -2.911 1
1 941 . 3 1 1 A 85 85 PHE CA C 85 55.360 56.226 -0.866 1
1 942 . 3 1 1 A 85 85 PHE CB C 85 41.424 41.332 0.092 1
1 948 . 3 1 1 A 85 85 PHE N N 85 122.454 123.784 -1.330 1
1 949 . 3 1 1 A 86 86 ILE H H 86 9.406 9.087 0.319 1
1 950 . 3 1 1 A 86 86 ILE HA H 86 4.844 5.097 -0.253 1
1 960 . 3 1 1 A 86 86 ILE C C 86 175.559 174.946 0.613 1
1 961 . 3 1 1 A 86 86 ILE CA C 86 60.323 60.186 0.137 1
1 962 . 3 1 1 A 86 86 ILE CB C 86 42.374 40.338 2.036 1
1 966 . 3 1 1 A 86 86 ILE N N 86 120.483 123.740 -3.257 1
1 967 . 3 1 1 A 87 87 LEU H H 87 9.450 9.150 0.300 1
1 968 . 3 1 1 A 87 87 LEU HA H 87 5.238 5.576 -0.338 1
1 978 . 3 1 1 A 87 87 LEU C C 87 175.145 175.976 -0.831 1
1 979 . 3 1 1 A 87 87 LEU CA C 87 52.778 53.378 -0.600 1
1 980 . 3 1 1 A 87 87 LEU CB C 87 40.657 43.977 -3.320 1
1 984 . 3 1 1 A 87 87 LEU N N 87 126.149 127.479 -1.330 1
1 985 . 3 1 1 A 88 88 GLU H H 88 9.120 9.146 -0.026 1
1 986 . 3 1 1 A 88 88 GLU HA H 88 4.986 4.963 0.023 1
1 991 . 3 1 1 A 88 88 GLU CA C 88 52.677 52.746 -0.069 1
1 992 . 3 1 1 A 88 88 GLU CB C 88 31.511 30.909 0.602 1
1 994 . 3 1 1 A 88 88 GLU N N 88 126.028 123.928 2.100 1
1 995 . 3 1 1 A 89 89 PRO HA H 89 4.239 4.011 0.228 1
1 1002 . 3 1 1 A 89 89 PRO C C 89 177.398 177.001 0.397 1
1 1003 . 3 1 1 A 89 89 PRO CA C 89 63.214 62.788 0.426 1
1 1004 . 3 1 1 A 89 89 PRO CB C 89 32.855 31.603 1.252 1
1 1007 . 3 1 1 A 90 90 LYS H H 90 8.166 8.666 -0.500 1
1 1008 . 3 1 1 A 90 90 LYS HA H 90 4.041 4.291 -0.250 1
1 1017 . 3 1 1 A 90 90 LYS C C 90 177.384 177.608 -0.224 1
1 1018 . 3 1 1 A 90 90 LYS CA C 90 58.404 57.478 0.926 1
1 1019 . 3 1 1 A 90 90 LYS CB C 90 33.133 32.149 0.984 1
1 1023 . 3 1 1 A 90 90 LYS N N 90 121.350 122.256 -0.906 1
1 1024 . 3 1 1 A 91 91 GLN H H 91 8.252 7.545 0.707 1
1 1025 . 3 1 1 A 91 91 GLN HA H 91 4.423 4.339 0.084 1
1 1032 . 3 1 1 A 91 91 GLN C C 91 175.039 176.174 -1.135 1
1 1033 . 3 1 1 A 91 91 GLN CA C 91 54.303 55.551 -1.248 1
1 1034 . 3 1 1 A 91 91 GLN CB C 91 29.208 28.666 0.542 1
1 1036 . 3 1 1 A 91 91 GLN N N 91 118.759 116.637 2.122 1
1 1038 . 3 1 1 A 92 92 GLN H H 92 8.460 8.147 0.313 1
1 1039 . 3 1 1 A 92 92 GLN HA H 92 4.057 4.334 -0.277 1
1 1044 . 3 1 1 A 92 92 GLN C C 92 177.080 175.555 1.525 1
1 1045 . 3 1 1 A 92 92 GLN CA C 92 57.446 57.532 -0.086 1
1 1046 . 3 1 1 A 92 92 GLN CB C 92 28.472 27.674 0.798 1
1 1048 . 3 1 1 A 92 92 GLN N N 92 124.928 116.932 7.996 1
1 1049 . 3 1 1 A 93 93 GLY H H 93 8.870 8.749 0.121 1
1 1050 . 3 1 1 A 93 93 GLY HA2 H 93 3.639 3.971 -0.332 1
1 1051 . 3 1 1 A 93 93 GLY HA3 H 93 4.338 3.974 0.364 1
1 1052 . 3 1 1 A 93 93 GLY C C 93 174.298 173.420 0.878 1
1 1053 . 3 1 1 A 93 93 GLY CA C 93 45.336 45.281 0.055 1
1 1054 . 3 1 1 A 93 93 GLY N N 93 113.393 112.094 1.299 1
1 1055 . 3 1 1 A 94 94 ASP H H 94 7.546 7.949 -0.403 1
1 1056 . 3 1 1 A 94 94 ASP HA H 94 5.056 4.810 0.246 1
1 1059 . 3 1 1 A 94 94 ASP CA C 94 52.662 52.067 0.595 1
1 1060 . 3 1 1 A 94 94 ASP CB C 94 40.179 40.735 -0.556 1
1 1061 . 3 1 1 A 94 94 ASP N N 94 123.111 121.801 1.310 1
1 1062 . 3 1 1 A 95 95 PRO HA H 95 4.933 4.783 0.150 1
1 1069 . 3 1 1 A 95 95 PRO CA C 95 61.243 61.485 -0.242 1
1 1070 . 3 1 1 A 95 95 PRO CB C 95 31.234 31.996 -0.762 1
1 1073 . 3 1 1 A 96 96 PRO HA H 96 5.190 5.035 0.155 1
1 1080 . 3 1 1 A 96 96 PRO C C 96 176.664 175.614 1.050 1
1 1081 . 3 1 1 A 96 96 PRO CA C 96 62.399 62.459 -0.060 1
1 1082 . 3 1 1 A 96 96 PRO CB C 96 32.850 32.978 -0.128 1
1 1085 . 3 1 1 A 97 97 VAL H H 97 8.448 8.293 0.155 1
1 1086 . 3 1 1 A 97 97 VAL HA H 97 4.145 4.617 -0.472 1
1 1094 . 3 1 1 A 97 97 VAL C C 97 174.020 175.282 -1.262 1
1 1095 . 3 1 1 A 97 97 VAL CA C 97 61.710 60.821 0.889 1
1 1096 . 3 1 1 A 97 97 VAL CB C 97 33.977 35.072 -1.095 1
1 1099 . 3 1 1 A 97 97 VAL N N 97 121.904 119.742 2.162 1
1 1100 . 3 1 1 A 98 98 GLU H H 98 8.599 8.708 -0.109 1
1 1101 . 3 1 1 A 98 98 GLU HA H 98 4.778 5.100 -0.322 1
1 1106 . 3 1 1 A 98 98 GLU C C 98 173.807 176.003 -2.196 1
1 1107 . 3 1 1 A 98 98 GLU CA C 98 55.674 55.296 0.378 1
1 1108 . 3 1 1 A 98 98 GLU CB C 98 30.827 31.961 -1.134 1
1 1110 . 3 1 1 A 98 98 GLU N N 98 126.577 127.070 -0.493 1
1 1111 . 3 1 1 A 99 99 PHE H H 99 8.701 9.003 -0.302 1
1 1112 . 3 1 1 A 99 99 PHE HA H 99 5.773 5.976 -0.203 1
1 1120 . 3 1 1 A 99 99 PHE C C 99 174.648 174.894 -0.246 1
1 1121 . 3 1 1 A 99 99 PHE CA C 99 55.799 57.013 -1.214 1
1 1122 . 3 1 1 A 99 99 PHE CB C 99 44.025 44.305 -0.280 1
1 1128 . 3 1 1 A 99 99 PHE N N 99 120.755 120.606 0.149 1
1 1129 . 3 1 1 A 100 100 ALA H H 100 8.737 8.846 -0.109 1
1 1130 . 3 1 1 A 100 100 ALA HA H 100 5.669 5.169 0.500 1
1 1134 . 3 1 1 A 100 100 ALA C C 100 176.491 176.321 0.170 1
1 1135 . 3 1 1 A 100 100 ALA CA C 100 49.850 51.647 -1.797 1
1 1136 . 3 1 1 A 100 100 ALA CB C 100 23.399 23.051 0.348 1
1 1137 . 3 1 1 A 100 100 ALA N N 100 118.211 122.189 -3.978 1
1 1138 . 3 1 1 A 101 101 THR H H 101 8.272 8.655 -0.383 1
1 1139 . 3 1 1 A 101 101 THR HA H 101 5.232 4.941 0.291 1
1 1144 . 3 1 1 A 101 101 THR C C 101 174.787 173.591 1.196 1
1 1145 . 3 1 1 A 101 101 THR CA C 101 59.068 60.345 -1.277 1
1 1146 . 3 1 1 A 101 101 THR CB C 101 70.089 72.407 -2.318 1
1 1148 . 3 1 1 A 101 101 THR N N 101 108.062 109.919 -1.857 1
1 1149 . 3 1 1 A 102 102 ASP H H 102 8.625 8.675 -0.050 1
1 1150 . 3 1 1 A 102 102 ASP HA H 102 5.009 4.913 0.096 1
1 1153 . 3 1 1 A 102 102 ASP C C 102 177.730 175.249 2.481 1
1 1154 . 3 1 1 A 102 102 ASP CA C 102 56.976 53.829 3.147 1
1 1155 . 3 1 1 A 102 102 ASP CB C 102 42.543 42.660 -0.117 1
1 1156 . 3 1 1 A 102 102 ASP N N 102 118.482 118.042 0.440 1
1 1157 . 3 1 1 A 103 103 ARG H H 103 8.208 7.474 0.734 1
1 1158 . 3 1 1 A 103 103 ARG HA H 103 4.772 4.886 -0.114 1
1 1165 . 3 1 1 A 103 103 ARG C C 103 178.000 176.041 1.959 1
1 1166 . 3 1 1 A 103 103 ARG CA C 103 54.079 54.128 -0.049 1
1 1167 . 3 1 1 A 103 103 ARG CB C 103 33.914 34.468 -0.554 1
1 1170 . 3 1 1 A 103 103 ARG N N 103 116.043 117.597 -1.554 1
1 1171 . 3 1 1 A 104 104 VAL H H 104 8.516 8.446 0.070 1
1 1172 . 3 1 1 A 104 104 VAL HA H 104 2.857 3.673 -0.816 1
1 1180 . 3 1 1 A 104 104 VAL C C 104 176.158 177.735 -1.577 1
1 1181 . 3 1 1 A 104 104 VAL CA C 104 64.625 64.429 0.196 1
1 1182 . 3 1 1 A 104 104 VAL CB C 104 30.883 31.578 -0.695 1
1 1185 . 3 1 1 A 104 104 VAL N N 104 128.496 123.012 5.484 1
1 1186 . 3 1 1 A 105 105 GLU H H 105 9.414 8.124 1.290 1
1 1187 . 3 1 1 A 105 105 GLU HA H 105 3.989 4.072 -0.083 1
1 1192 . 3 1 1 A 105 105 GLU C C 105 179.982 179.446 0.536 1
1 1193 . 3 1 1 A 105 105 GLU CA C 105 60.599 59.596 1.003 1
1 1194 . 3 1 1 A 105 105 GLU CB C 105 27.973 29.501 -1.528 1
1 1196 . 3 1 1 A 105 105 GLU N N 105 121.934 122.296 -0.362 1
1 1197 . 3 1 1 A 106 106 GLU H H 106 6.769 8.242 -1.473 1
1 1198 . 3 1 1 A 106 106 GLU HA H 106 4.370 4.072 0.298 1
1 1203 . 3 1 1 A 106 106 GLU C C 106 178.312 179.278 -0.966 1
1 1204 . 3 1 1 A 106 106 GLU CA C 106 58.503 59.176 -0.673 1
1 1205 . 3 1 1 A 106 106 GLU CB C 106 30.657 29.265 1.392 1
1 1207 . 3 1 1 A 106 106 GLU N N 106 116.721 120.498 -3.777 1
1 1208 . 3 1 1 A 107 107 LEU H H 107 7.161 7.541 -0.380 1
1 1209 . 3 1 1 A 107 107 LEU HA H 107 4.040 4.151 -0.111 1
1 1219 . 3 1 1 A 107 107 LEU C C 107 177.985 178.229 -0.244 1
1 1220 . 3 1 1 A 107 107 LEU CA C 107 58.930 58.143 0.787 1
1 1221 . 3 1 1 A 107 107 LEU CB C 107 40.058 42.072 -2.014 1
1 1225 . 3 1 1 A 107 107 LEU N N 107 122.171 122.449 -0.278 1
1 1226 . 3 1 1 A 108 108 PHE H H 108 7.986 8.260 -0.274 1
1 1227 . 3 1 1 A 108 108 PHE HA H 108 4.199 4.048 0.151 1
1 1234 . 3 1 1 A 108 108 PHE C C 108 178.069 177.764 0.305 1
1 1235 . 3 1 1 A 108 108 PHE CA C 108 61.167 61.011 0.156 1
1 1236 . 3 1 1 A 108 108 PHE CB C 108 38.208 38.487 -0.279 1
1 1241 . 3 1 1 A 108 108 PHE N N 108 116.696 119.163 -2.467 1
1 1242 . 3 1 1 A 109 109 GLU H H 109 7.719 8.523 -0.804 1
1 1243 . 3 1 1 A 109 109 GLU HA H 109 3.951 4.039 -0.088 1
1 1248 . 3 1 1 A 109 109 GLU C C 109 179.858 179.057 0.801 1
1 1249 . 3 1 1 A 109 109 GLU CA C 109 59.664 59.162 0.502 1
1 1250 . 3 1 1 A 109 109 GLU CB C 109 29.923 29.413 0.510 1
1 1252 . 3 1 1 A 109 109 GLU N N 109 119.214 119.214 0.000 1
1 1253 . 3 1 1 A 110 110 TRP H H 110 8.445 7.930 0.515 1
1 1254 . 3 1 1 A 110 110 TRP HA H 110 3.634 4.227 -0.593 1
1 1263 . 3 1 1 A 110 110 TRP C C 110 177.691 178.847 -1.156 1
1 1264 . 3 1 1 A 110 110 TRP CA C 110 62.078 60.317 1.761 1
1 1265 . 3 1 1 A 110 110 TRP CB C 110 29.275 28.836 0.439 1
1 1271 . 3 1 1 A 110 110 TRP N N 110 120.045 120.730 -0.685 1
1 1273 . 3 1 1 A 111 111 PHE H H 111 8.668 7.802 0.866 1
1 1274 . 3 1 1 A 111 111 PHE HA H 111 3.436 3.965 -0.529 1
1 1282 . 3 1 1 A 111 111 PHE C C 111 176.547 177.476 -0.929 1
1 1283 . 3 1 1 A 111 111 PHE CA C 111 62.182 61.571 0.611 1
1 1284 . 3 1 1 A 111 111 PHE CB C 111 39.904 37.991 1.913 1
1 1290 . 3 1 1 A 111 111 PHE N N 111 117.907 117.534 0.373 1
1 1291 . 3 1 1 A 112 112 GLN H H 112 8.254 7.828 0.426 1
1 1292 . 3 1 1 A 112 112 GLN HA H 112 3.685 3.838 -0.153 1
1 1299 . 3 1 1 A 112 112 GLN C C 112 178.503 178.266 0.237 1
1 1300 . 3 1 1 A 112 112 GLN CA C 112 58.624 58.747 -0.123 1
1 1301 . 3 1 1 A 112 112 GLN CB C 112 27.980 28.464 -0.484 1
1 1303 . 3 1 1 A 112 112 GLN N N 112 116.394 120.531 -4.137 1
1 1305 . 3 1 1 A 113 113 SER H H 113 7.741 7.637 0.104 1
1 1306 . 3 1 1 A 113 113 SER HA H 113 4.036 4.104 -0.068 1
1 1309 . 3 1 1 A 113 113 SER C C 113 176.428 175.798 0.630 1
1 1310 . 3 1 1 A 113 113 SER CA C 113 62.062 62.363 -0.301 1
1 1311 . 3 1 1 A 113 113 SER CB C 113 62.655 62.876 -0.221 1
1 1312 . 3 1 1 A 113 113 SER N N 113 114.734 117.065 -2.331 1
1 1313 . 3 1 1 A 114 114 ILE H H 114 7.915 7.806 0.109 1
1 1314 . 3 1 1 A 114 114 ILE HA H 114 3.559 3.679 -0.120 1
1 1324 . 3 1 1 A 114 114 ILE C C 114 178.594 178.311 0.283 1
1 1325 . 3 1 1 A 114 114 ILE CA C 114 65.364 65.022 0.342 1
1 1326 . 3 1 1 A 114 114 ILE CB C 114 38.395 37.550 0.845 1
1 1330 . 3 1 1 A 114 114 ILE N N 114 119.893 121.195 -1.302 1
1 1331 . 3 1 1 A 115 115 ARG H H 115 8.581 8.025 0.556 1
1 1332 . 3 1 1 A 115 115 ARG HA H 115 3.881 4.327 -0.446 1
1 1339 . 3 1 1 A 115 115 ARG C C 115 177.921 178.876 -0.955 1
1 1340 . 3 1 1 A 115 115 ARG CA C 115 58.689 59.451 -0.762 1
1 1341 . 3 1 1 A 115 115 ARG CB C 115 29.134 29.779 -0.645 1
1 1344 . 3 1 1 A 115 115 ARG N N 115 123.090 120.997 2.093 1
1 1345 . 3 1 1 A 116 116 GLU H H 116 7.653 7.990 -0.337 1
1 1346 . 3 1 1 A 116 116 GLU HA H 116 3.959 4.141 -0.182 1
1 1351 . 3 1 1 A 116 116 GLU C C 116 178.178 177.459 0.719 1
1 1352 . 3 1 1 A 116 116 GLU CA C 116 58.767 58.766 0.001 1
1 1353 . 3 1 1 A 116 116 GLU CB C 116 29.501 29.619 -0.118 1
1 1355 . 3 1 1 A 116 116 GLU N N 116 116.356 118.942 -2.586 1
1 1356 . 3 1 1 A 117 117 ILE H H 117 7.334 7.666 -0.332 1
1 1357 . 3 1 1 A 117 117 ILE HA H 117 3.909 4.124 -0.215 1
1 1367 . 3 1 1 A 117 117 ILE C C 117 177.733 177.547 0.186 1
1 1368 . 3 1 1 A 117 117 ILE CA C 117 63.443 62.747 0.696 1
1 1369 . 3 1 1 A 117 117 ILE CB C 117 39.059 39.374 -0.315 1
1 1373 . 3 1 1 A 117 117 ILE N N 117 117.514 117.408 0.106 1
1 1374 . 3 1 1 A 118 118 THR H H 118 8.075 7.597 0.478 1
1 1375 . 3 1 1 A 118 118 THR HA H 118 4.367 4.448 -0.081 1
1 1380 . 3 1 1 A 118 118 THR C C 118 176.050 175.927 0.123 1
1 1381 . 3 1 1 A 118 118 THR CA C 118 63.494 63.978 -0.484 1
1 1382 . 3 1 1 A 118 118 THR CB C 118 70.326 69.742 0.584 1
1 1384 . 3 1 1 A 118 118 THR N N 118 109.879 112.281 -2.402 1
1 1385 . 3 1 1 A 119 119 TRP H H 119 8.283 8.330 -0.047 1
1 1386 . 3 1 1 A 119 119 TRP HA H 119 4.792 4.224 0.568 1
1 1395 . 3 1 1 A 119 119 TRP C C 119 175.855 175.540 0.315 1
1 1396 . 3 1 1 A 119 119 TRP CA C 119 57.464 60.362 -2.898 1
1 1397 . 3 1 1 A 119 119 TRP CB C 119 29.488 29.918 -0.430 1
1 1403 . 3 1 1 A 119 119 TRP N N 119 124.034 123.756 0.278 1
1 1405 . 3 1 1 A 120 120 LYS H H 120 7.723 7.823 -0.100 1
1 1406 . 3 1 1 A 120 120 LYS HA H 120 4.198 4.640 -0.442 1
1 1415 . 3 1 1 A 120 120 LYS C C 120 176.162 175.120 1.042 1
1 1416 . 3 1 1 A 120 120 LYS CA C 120 56.049 54.596 1.453 1
1 1417 . 3 1 1 A 120 120 LYS CB C 120 32.924 35.453 -2.529 1
1 1421 . 3 1 1 A 120 120 LYS N N 120 123.166 116.710 6.456 1
1 1422 . 3 1 1 A 121 121 ILE H H 121 7.874 8.853 -0.979 1
1 1423 . 3 1 1 A 121 121 ILE HA H 121 4.035 4.599 -0.564 1
1 1433 . 3 1 1 A 121 121 ILE C C 121 175.950 174.281 1.669 1
1 1434 . 3 1 1 A 121 121 ILE CA C 121 61.120 60.471 0.649 1
1 1435 . 3 1 1 A 121 121 ILE CB C 121 38.708 38.847 -0.139 1
1 1439 . 3 1 1 A 121 121 ILE N N 121 121.301 124.026 -2.725 1
1 1440 . 3 1 1 A 122 122 ASP H H 122 8.317 8.839 -0.522 1
1 1441 . 3 1 1 A 122 122 ASP HA H 122 4.677 5.088 -0.411 1
1 1444 . 3 1 1 A 122 122 ASP C C 122 176.278 175.502 0.776 1
1 1445 . 3 1 1 A 122 122 ASP CA C 122 54.157 53.886 0.271 1
1 1446 . 3 1 1 A 122 122 ASP CB C 122 41.316 41.252 0.064 1
1 1447 . 3 1 1 A 122 122 ASP N N 122 124.058 128.199 -4.141 1
1 1448 . 3 1 1 A 123 123 THR H H 123 8.003 8.626 -0.623 1
1 1449 . 3 1 1 A 123 123 THR HA H 123 4.307 4.826 -0.519 1
1 1454 . 3 1 1 A 123 123 THR C C 123 173.831 171.992 1.839 1
1 1455 . 3 1 1 A 123 123 THR CA C 123 61.715 60.279 1.436 1
1 1456 . 3 1 1 A 123 123 THR CB C 123 69.736 69.866 -0.130 1
1 1458 . 3 1 1 A 123 123 THR N N 123 114.853 117.030 -2.177 1
1 2 . 4 1 1 A 9 9 LYS H H 9 8.338 8.658 -0.320 1
1 3 . 4 1 1 A 9 9 LYS C C 9 176.402 175.335 1.067 1
1 4 . 4 1 1 A 9 9 LYS N N 9 122.857 118.853 4.004 1
1 5 . 4 1 1 A 10 10 ASP H H 10 8.335 7.751 0.584 1
1 6 . 4 1 1 A 10 10 ASP HA H 10 4.562 4.855 -0.293 1
1 9 . 4 1 1 A 10 10 ASP C C 10 176.123 175.735 0.388 1
1 10 . 4 1 1 A 10 10 ASP CA C 10 54.344 52.867 1.477 1
1 11 . 4 1 1 A 10 10 ASP CB C 10 41.227 42.472 -1.245 1
1 12 . 4 1 1 A 10 10 ASP N N 10 121.507 121.129 0.378 1
1 13 . 4 1 1 A 11 11 GLU H H 11 8.231 9.051 -0.820 1
1 14 . 4 1 1 A 11 11 GLU HA H 11 4.222 4.372 -0.150 1
1 19 . 4 1 1 A 11 11 GLU CA C 11 56.356 57.480 -1.124 1
1 20 . 4 1 1 A 11 11 GLU CB C 11 30.439 32.354 -1.915 1
1 22 . 4 1 1 A 11 11 GLU N N 11 121.321 127.622 -6.301 1
1 23 . 4 1 1 A 12 12 HIS H H 12 8.431 7.851 0.580 1
1 24 . 4 1 1 A 12 12 HIS HA H 12 4.618 5.081 -0.463 1
1 28 . 4 1 1 A 12 12 HIS C C 12 174.980 174.699 0.281 1
1 29 . 4 1 1 A 12 12 HIS CA C 12 55.952 55.294 0.658 1
1 30 . 4 1 1 A 12 12 HIS CB C 12 30.058 31.996 -1.938 1
1 32 . 4 1 1 A 12 12 HIS N N 12 120.447 116.517 3.930 1
1 33 . 4 1 1 A 13 13 LYS H H 13 8.191 8.736 -0.545 1
1 34 . 4 1 1 A 13 13 LYS HA H 13 4.355 4.553 -0.198 1
1 43 . 4 1 1 A 13 13 LYS C C 13 175.327 176.271 -0.944 1
1 44 . 4 1 1 A 13 13 LYS CA C 13 55.620 54.603 1.017 1
1 45 . 4 1 1 A 13 13 LYS CB C 13 33.729 33.968 -0.239 1
1 49 . 4 1 1 A 13 13 LYS N N 13 124.365 121.186 3.179 1
1 50 . 4 1 1 A 14 14 GLN H H 14 8.229 8.390 -0.161 1
1 51 . 4 1 1 A 14 14 GLN HA H 14 4.037 4.265 -0.228 1
1 58 . 4 1 1 A 14 14 GLN C C 14 173.432 174.680 -1.248 1
1 59 . 4 1 1 A 14 14 GLN CA C 14 54.613 56.080 -1.467 1
1 60 . 4 1 1 A 14 14 GLN CB C 14 29.096 28.932 0.164 1
1 62 . 4 1 1 A 14 14 GLN N N 14 123.823 122.296 1.527 1
1 64 . 4 1 1 A 15 15 GLN H H 15 7.896 8.499 -0.603 1
1 65 . 4 1 1 A 15 15 GLN HA H 15 5.459 5.305 0.154 1
1 70 . 4 1 1 A 15 15 GLN C C 15 174.263 174.778 -0.515 1
1 71 . 4 1 1 A 15 15 GLN CA C 15 54.506 54.839 -0.333 1
1 72 . 4 1 1 A 15 15 GLN CB C 15 31.418 32.784 -1.366 1
1 74 . 4 1 1 A 15 15 GLN N N 15 121.452 125.416 -3.964 1
1 75 . 4 1 1 A 16 16 GLY H H 16 8.795 8.494 0.301 1
1 76 . 4 1 1 A 16 16 GLY HA2 H 16 4.056 4.160 -0.104 1
1 77 . 4 1 1 A 16 16 GLY HA3 H 16 4.801 4.463 0.338 1
1 78 . 4 1 1 A 16 16 GLY C C 16 171.456 171.345 0.111 1
1 79 . 4 1 1 A 16 16 GLY CA C 16 44.773 46.144 -1.371 1
1 80 . 4 1 1 A 16 16 GLY N N 16 107.937 111.378 -3.441 1
1 81 . 4 1 1 A 17 17 GLU H H 17 8.718 8.568 0.150 1
1 82 . 4 1 1 A 17 17 GLU HA H 17 5.220 5.001 0.219 1
1 87 . 4 1 1 A 17 17 GLU C C 17 176.562 174.907 1.655 1
1 88 . 4 1 1 A 17 17 GLU CA C 17 55.880 54.586 1.294 1
1 89 . 4 1 1 A 17 17 GLU CB C 17 30.995 33.403 -2.408 1
1 91 . 4 1 1 A 17 17 GLU N N 17 119.686 121.854 -2.168 1
1 92 . 4 1 1 A 18 18 LEU H H 18 8.806 8.624 0.182 1
1 93 . 4 1 1 A 18 18 LEU HA H 18 4.652 4.664 -0.012 1
1 103 . 4 1 1 A 18 18 LEU C C 18 176.851 174.361 2.490 1
1 104 . 4 1 1 A 18 18 LEU CA C 18 53.786 53.112 0.674 1
1 105 . 4 1 1 A 18 18 LEU CB C 18 47.961 44.565 3.396 1
1 109 . 4 1 1 A 18 18 LEU N N 18 122.158 122.973 -0.815 1
1 110 . 4 1 1 A 19 19 TYR H H 19 8.833 8.013 0.820 1
1 111 . 4 1 1 A 19 19 TYR HA H 19 5.837 5.598 0.239 1
1 118 . 4 1 1 A 19 19 TYR C C 19 176.038 175.363 0.675 1
1 119 . 4 1 1 A 19 19 TYR CA C 19 56.750 56.794 -0.044 1
1 120 . 4 1 1 A 19 19 TYR CB C 19 40.531 41.961 -1.430 1
1 125 . 4 1 1 A 19 19 TYR N N 19 117.278 120.117 -2.839 1
1 126 . 4 1 1 A 20 20 MET H H 20 9.743 9.227 0.516 1
1 127 . 4 1 1 A 20 20 MET HA H 20 5.207 5.044 0.163 1
1 135 . 4 1 1 A 20 20 MET C C 20 175.349 174.813 0.536 1
1 136 . 4 1 1 A 20 20 MET CA C 20 54.611 54.412 0.199 1
1 137 . 4 1 1 A 20 20 MET CB C 20 37.352 36.424 0.928 1
1 140 . 4 1 1 A 20 20 MET N N 20 120.128 120.242 -0.114 1
1 141 . 4 1 1 A 21 21 TRP H H 21 8.142 8.202 -0.060 1
1 142 . 4 1 1 A 21 21 TRP HA H 21 4.084 3.808 0.276 1
1 150 . 4 1 1 A 21 21 TRP C C 21 174.752 174.475 0.277 1
1 151 . 4 1 1 A 21 21 TRP CA C 21 56.246 57.036 -0.790 1
1 152 . 4 1 1 A 21 21 TRP CB C 21 29.682 29.273 0.409 1
1 157 . 4 1 1 A 21 21 TRP N N 21 126.799 125.180 1.619 1
1 159 . 4 1 1 A 22 22 ASP H H 22 8.034 7.960 0.074 1
1 160 . 4 1 1 A 22 22 ASP HA H 22 4.417 4.344 0.073 1
1 163 . 4 1 1 A 22 22 ASP C C 22 175.814 176.213 -0.399 1
1 164 . 4 1 1 A 22 22 ASP CA C 22 52.020 52.036 -0.016 1
1 165 . 4 1 1 A 22 22 ASP CB C 22 41.748 40.628 1.120 1
1 166 . 4 1 1 A 22 22 ASP N N 22 129.313 128.746 0.567 1
1 167 . 4 1 1 A 23 23 SER H H 23 8.331 8.432 -0.101 1
1 168 . 4 1 1 A 23 23 SER HA H 23 3.719 3.975 -0.256 1
1 171 . 4 1 1 A 23 23 SER C C 23 175.145 174.612 0.533 1
1 172 . 4 1 1 A 23 23 SER CA C 23 59.732 58.466 1.266 1
1 173 . 4 1 1 A 23 23 SER CB C 23 63.304 63.384 -0.080 1
1 174 . 4 1 1 A 23 23 SER N N 23 119.796 119.748 0.048 1
1 175 . 4 1 1 A 24 24 ILE H H 24 8.044 7.073 0.971 1
1 176 . 4 1 1 A 24 24 ILE HA H 24 3.849 4.065 -0.216 1
1 186 . 4 1 1 A 24 24 ILE C C 24 177.615 176.756 0.859 1
1 187 . 4 1 1 A 24 24 ILE CA C 24 63.257 61.937 1.320 1
1 188 . 4 1 1 A 24 24 ILE CB C 24 36.400 38.935 -2.535 1
1 192 . 4 1 1 A 24 24 ILE N N 24 124.085 119.262 4.823 1
1 193 . 4 1 1 A 25 25 ASP H H 25 7.641 7.594 0.047 1
1 194 . 4 1 1 A 25 25 ASP HA H 25 4.492 4.649 -0.157 1
1 197 . 4 1 1 A 25 25 ASP C C 25 175.486 175.226 0.260 1
1 198 . 4 1 1 A 25 25 ASP CA C 25 54.313 53.300 1.013 1
1 199 . 4 1 1 A 25 25 ASP CB C 25 40.789 41.706 -0.917 1
1 200 . 4 1 1 A 25 25 ASP N N 25 118.371 119.207 -0.836 1
1 201 . 4 1 1 A 26 26 GLN H H 26 7.340 7.403 -0.063 1
1 202 . 4 1 1 A 26 26 GLN HA H 26 2.828 3.340 -0.512 1
1 209 . 4 1 1 A 26 26 GLN C C 26 173.882 174.603 -0.721 1
1 210 . 4 1 1 A 26 26 GLN CA C 26 55.956 56.695 -0.739 1
1 211 . 4 1 1 A 26 26 GLN CB C 26 25.070 26.637 -1.567 1
1 213 . 4 1 1 A 26 26 GLN N N 26 116.358 115.929 0.429 1
1 215 . 4 1 1 A 27 27 LYS H H 27 6.283 6.524 -0.241 1
1 216 . 4 1 1 A 27 27 LYS HA H 27 4.395 4.869 -0.474 1
1 225 . 4 1 1 A 27 27 LYS C C 27 173.510 173.991 -0.481 1
1 226 . 4 1 1 A 27 27 LYS CA C 27 54.164 55.019 -0.855 1
1 227 . 4 1 1 A 27 27 LYS CB C 27 35.825 34.213 1.612 1
1 231 . 4 1 1 A 27 27 LYS N N 27 114.611 113.641 0.970 1
1 232 . 4 1 1 A 28 28 TRP H H 28 8.751 8.598 0.153 1
1 233 . 4 1 1 A 28 28 TRP HA H 28 5.383 5.589 -0.206 1
1 242 . 4 1 1 A 28 28 TRP C C 28 177.411 176.750 0.661 1
1 243 . 4 1 1 A 28 28 TRP CA C 28 55.957 55.431 0.526 1
1 244 . 4 1 1 A 28 28 TRP CB C 28 30.752 31.018 -0.266 1
1 250 . 4 1 1 A 28 28 TRP N N 28 121.520 118.792 2.728 1
1 252 . 4 1 1 A 29 29 THR H H 29 9.413 8.976 0.437 1
1 253 . 4 1 1 A 29 29 THR HA H 29 4.852 5.270 -0.418 1
1 258 . 4 1 1 A 29 29 THR C C 29 173.520 173.118 0.402 1
1 259 . 4 1 1 A 29 29 THR CA C 29 60.308 60.045 0.263 1
1 260 . 4 1 1 A 29 29 THR CB C 29 69.736 71.315 -1.579 1
1 262 . 4 1 1 A 29 29 THR N N 29 117.059 114.917 2.142 1
1 263 . 4 1 1 A 30 30 ARG H H 30 9.117 8.551 0.566 1
1 264 . 4 1 1 A 30 30 ARG HA H 30 4.790 4.580 0.210 1
1 272 . 4 1 1 A 30 30 ARG C C 30 174.447 174.653 -0.206 1
1 273 . 4 1 1 A 30 30 ARG CA C 30 55.949 54.414 1.535 1
1 274 . 4 1 1 A 30 30 ARG CB C 30 33.388 31.478 1.910 1
1 277 . 4 1 1 A 30 30 ARG N N 30 126.027 121.541 4.486 1
1 278 . 4 1 1 A 31 31 HIS H H 31 9.011 8.597 0.414 1
1 279 . 4 1 1 A 31 31 HIS HA H 31 4.636 4.784 -0.148 1
1 282 . 4 1 1 A 31 31 HIS C C 31 173.947 173.341 0.606 1
1 283 . 4 1 1 A 31 31 HIS CA C 31 55.185 54.607 0.578 1
1 284 . 4 1 1 A 31 31 HIS CB C 31 33.332 33.763 -0.431 1
1 285 . 4 1 1 A 31 31 HIS N N 31 121.017 123.728 -2.711 1
1 286 . 4 1 1 A 32 32 TYR H H 32 9.361 8.992 0.369 1
1 287 . 4 1 1 A 32 32 TYR HA H 32 4.745 4.785 -0.040 1
1 294 . 4 1 1 A 32 32 TYR C C 32 176.298 174.669 1.629 1
1 295 . 4 1 1 A 32 32 TYR CA C 32 59.316 56.688 2.628 1
1 296 . 4 1 1 A 32 32 TYR CB C 32 39.341 38.815 0.526 1
1 301 . 4 1 1 A 32 32 TYR N N 32 124.440 124.361 0.079 1
1 302 . 4 1 1 A 33 33 CYS H H 33 8.750 8.195 0.555 1
1 303 . 4 1 1 A 33 33 CYS HA H 33 5.857 5.056 0.801 1
1 306 . 4 1 1 A 33 33 CYS C C 33 172.735 174.123 -1.388 1
1 307 . 4 1 1 A 33 33 CYS CA C 33 57.108 58.040 -0.932 1
1 308 . 4 1 1 A 33 33 CYS CB C 33 32.779 28.900 3.879 1
1 309 . 4 1 1 A 33 33 CYS N N 33 127.462 126.712 0.750 1
1 310 . 4 1 1 A 34 34 ALA H H 34 8.565 8.997 -0.432 1
1 311 . 4 1 1 A 34 34 ALA HA H 34 5.290 5.034 0.256 1
1 315 . 4 1 1 A 34 34 ALA C C 34 176.215 175.754 0.461 1
1 316 . 4 1 1 A 34 34 ALA CA C 34 51.773 52.095 -0.322 1
1 317 . 4 1 1 A 34 34 ALA CB C 34 23.139 21.582 1.557 1
1 318 . 4 1 1 A 34 34 ALA N N 34 121.115 123.083 -1.968 1
1 319 . 4 1 1 A 35 35 ILE H H 35 8.413 9.068 -0.655 1
1 320 . 4 1 1 A 35 35 ILE HA H 35 5.275 4.994 0.281 1
1 330 . 4 1 1 A 35 35 ILE C C 35 175.768 175.225 0.543 1
1 331 . 4 1 1 A 35 35 ILE CA C 35 60.105 60.649 -0.544 1
1 332 . 4 1 1 A 35 35 ILE CB C 35 39.737 38.350 1.387 1
1 336 . 4 1 1 A 35 35 ILE N N 35 120.176 123.975 -3.799 1
1 337 . 4 1 1 A 36 36 ALA H H 36 8.666 8.603 0.063 1
1 338 . 4 1 1 A 36 36 ALA HA H 36 4.581 4.883 -0.302 1
1 342 . 4 1 1 A 36 36 ALA CA C 36 52.028 50.649 1.379 1
1 343 . 4 1 1 A 36 36 ALA CB C 36 21.365 21.520 -0.155 1
1 344 . 4 1 1 A 36 36 ALA N N 36 129.732 129.625 0.107 1
1 345 . 4 1 1 A 37 37 ASP H H 37 9.379 8.970 0.409 1
1 346 . 4 1 1 A 37 37 ASP HA H 37 4.228 4.241 -0.013 1
1 349 . 4 1 1 A 37 37 ASP C C 37 174.579 175.640 -1.061 1
1 350 . 4 1 1 A 37 37 ASP CA C 37 55.822 56.515 -0.693 1
1 351 . 4 1 1 A 37 37 ASP CB C 37 39.784 39.492 0.292 1
1 352 . 4 1 1 A 37 37 ASP N N 37 124.926 119.677 5.249 1
1 353 . 4 1 1 A 38 38 ALA H H 38 8.710 8.337 0.373 1
1 354 . 4 1 1 A 38 38 ALA HA H 38 3.911 4.533 -0.622 1
1 358 . 4 1 1 A 38 38 ALA C C 38 174.866 176.619 -1.753 1
1 359 . 4 1 1 A 38 38 ALA CA C 38 53.040 51.650 1.390 1
1 360 . 4 1 1 A 38 38 ALA CB C 38 17.654 20.589 -2.935 1
1 361 . 4 1 1 A 38 38 ALA N N 38 115.547 123.332 -7.785 1
1 362 . 4 1 1 A 39 39 LYS H H 39 8.054 7.871 0.183 1
1 363 . 4 1 1 A 39 39 LYS HA H 39 5.247 4.864 0.383 1
1 372 . 4 1 1 A 39 39 LYS C C 39 175.201 174.672 0.529 1
1 373 . 4 1 1 A 39 39 LYS CA C 39 54.583 54.620 -0.037 1
1 374 . 4 1 1 A 39 39 LYS CB C 39 34.824 36.121 -1.297 1
1 378 . 4 1 1 A 39 39 LYS N N 39 117.589 116.678 0.911 1
1 379 . 4 1 1 A 40 40 LEU H H 40 9.090 8.498 0.592 1
1 380 . 4 1 1 A 40 40 LEU HA H 40 5.353 5.174 0.179 1
1 390 . 4 1 1 A 40 40 LEU C C 40 175.382 175.219 0.163 1
1 391 . 4 1 1 A 40 40 LEU CA C 40 53.987 53.542 0.445 1
1 392 . 4 1 1 A 40 40 LEU CB C 40 45.718 45.593 0.125 1
1 396 . 4 1 1 A 40 40 LEU N N 40 126.300 124.688 1.612 1
1 397 . 4 1 1 A 41 41 SER H H 41 9.539 9.130 0.409 1
1 398 . 4 1 1 A 41 41 SER HA H 41 5.493 5.511 -0.018 1
1 401 . 4 1 1 A 41 41 SER C C 41 173.435 173.740 -0.305 1
1 402 . 4 1 1 A 41 41 SER CA C 41 56.816 56.750 0.066 1
1 403 . 4 1 1 A 41 41 SER CB C 41 65.706 64.433 1.273 1
1 404 . 4 1 1 A 41 41 SER N N 41 123.399 122.186 1.213 1
1 405 . 4 1 1 A 42 42 PHE H H 42 8.344 8.598 -0.254 1
1 406 . 4 1 1 A 42 42 PHE HA H 42 5.888 5.642 0.246 1
1 414 . 4 1 1 A 42 42 PHE C C 42 175.198 175.478 -0.280 1
1 415 . 4 1 1 A 42 42 PHE CA C 42 54.335 55.441 -1.106 1
1 416 . 4 1 1 A 42 42 PHE CB C 42 43.360 41.583 1.777 1
1 422 . 4 1 1 A 42 42 PHE N N 42 117.935 122.424 -4.489 1
1 423 . 4 1 1 A 43 43 SER H H 43 8.843 8.708 0.135 1
1 424 . 4 1 1 A 43 43 SER HA H 43 4.918 4.728 0.190 1
1 427 . 4 1 1 A 43 43 SER C C 43 175.040 174.429 0.611 1
1 428 . 4 1 1 A 43 43 SER CA C 43 58.215 57.646 0.569 1
1 429 . 4 1 1 A 43 43 SER CB C 43 66.789 65.925 0.864 1
1 430 . 4 1 1 A 43 43 SER N N 43 117.280 115.050 2.230 1
1 431 . 4 1 1 A 44 44 ASP H H 44 8.818 8.490 0.328 1
1 432 . 4 1 1 A 44 44 ASP HA H 44 4.909 4.760 0.149 1
1 435 . 4 1 1 A 44 44 ASP C C 44 175.955 175.566 0.389 1
1 436 . 4 1 1 A 44 44 ASP CA C 44 54.815 53.199 1.616 1
1 437 . 4 1 1 A 44 44 ASP CB C 44 41.729 41.692 0.037 1
1 438 . 4 1 1 A 44 44 ASP N N 44 120.846 119.719 1.127 1
1 439 . 4 1 1 A 45 45 ASP H H 45 8.726 8.707 0.019 1
1 440 . 4 1 1 A 45 45 ASP HA H 45 4.273 4.408 -0.135 1
1 443 . 4 1 1 A 45 45 ASP C C 45 177.889 177.508 0.381 1
1 444 . 4 1 1 A 45 45 ASP CA C 45 54.145 54.843 -0.698 1
1 445 . 4 1 1 A 45 45 ASP CB C 45 41.329 40.978 0.351 1
1 446 . 4 1 1 A 45 45 ASP N N 45 120.848 120.202 0.646 1
1 447 . 4 1 1 A 46 46 ILE H H 46 8.369 7.882 0.487 1
1 448 . 4 1 1 A 46 46 ILE HA H 46 4.079 4.239 -0.160 1
1 458 . 4 1 1 A 46 46 ILE C C 46 177.339 177.792 -0.453 1
1 459 . 4 1 1 A 46 46 ILE CA C 46 62.357 62.418 -0.061 1
1 460 . 4 1 1 A 46 46 ILE CB C 46 38.708 38.799 -0.091 1
1 464 . 4 1 1 A 46 46 ILE N N 46 123.832 119.759 4.073 1
1 465 . 4 1 1 A 47 47 GLU H H 47 8.577 8.152 0.425 1
1 466 . 4 1 1 A 47 47 GLU HA H 47 4.258 4.261 -0.003 1
1 471 . 4 1 1 A 47 47 GLU C C 47 177.164 178.270 -1.106 1
1 472 . 4 1 1 A 47 47 GLU CA C 47 57.249 58.835 -1.586 1
1 473 . 4 1 1 A 47 47 GLU CB C 47 29.900 30.617 -0.717 1
1 475 . 4 1 1 A 47 47 GLU N N 47 122.294 120.815 1.479 1
1 476 . 4 1 1 A 48 48 GLN H H 48 7.894 7.865 0.029 1
1 477 . 4 1 1 A 48 48 GLN HA H 48 4.365 4.257 0.108 1
1 484 . 4 1 1 A 48 48 GLN C C 48 176.278 176.725 -0.447 1
1 485 . 4 1 1 A 48 48 GLN CA C 48 55.830 57.348 -1.518 1
1 486 . 4 1 1 A 48 48 GLN CB C 48 29.383 29.362 0.021 1
1 488 . 4 1 1 A 48 48 GLN N N 48 118.968 116.293 2.675 1
1 490 . 4 1 1 A 49 49 THR H H 49 8.048 8.008 0.040 1
1 491 . 4 1 1 A 49 49 THR HA H 49 4.331 4.293 0.038 1
1 496 . 4 1 1 A 49 49 THR C C 49 174.784 174.607 0.177 1
1 497 . 4 1 1 A 49 49 THR CA C 49 62.135 62.798 -0.663 1
1 498 . 4 1 1 A 49 49 THR CB C 49 69.736 66.413 3.323 1
1 500 . 4 1 1 A 49 49 THR N N 49 114.601 113.181 1.420 1
1 501 . 4 1 1 A 50 50 MET H H 50 8.409 8.658 -0.249 1
1 502 . 4 1 1 A 50 50 MET HA H 50 4.510 4.686 -0.176 1
1 510 . 4 1 1 A 50 50 MET C C 50 176.451 176.144 0.307 1
1 511 . 4 1 1 A 50 50 MET CA C 50 55.601 54.378 1.223 1
1 512 . 4 1 1 A 50 50 MET CB C 50 32.850 31.790 1.060 1
1 515 . 4 1 1 A 50 50 MET N N 50 122.660 124.091 -1.431 1
1 516 . 4 1 1 A 51 51 GLU H H 51 8.418 7.555 0.863 1
1 517 . 4 1 1 A 51 51 GLU HA H 51 4.272 4.258 0.014 1
1 522 . 4 1 1 A 51 51 GLU C C 51 176.777 177.035 -0.258 1
1 523 . 4 1 1 A 51 51 GLU CA C 51 56.680 56.601 0.079 1
1 524 . 4 1 1 A 51 51 GLU CB C 51 30.262 30.165 0.097 1
1 526 . 4 1 1 A 51 51 GLU N N 51 121.650 119.892 1.758 1
1 527 . 4 1 1 A 52 52 GLU H H 52 8.325 8.967 -0.642 1
1 528 . 4 1 1 A 52 52 GLU HA H 52 4.174 3.880 0.294 1
1 533 . 4 1 1 A 52 52 GLU C C 52 176.178 177.469 -1.291 1
1 534 . 4 1 1 A 52 52 GLU N N 52 120.869 126.001 -5.132 1
1 535 . 4 1 1 A 53 53 ASP H H 53 8.320 7.961 0.359 1
1 536 . 4 1 1 A 53 53 ASP HA H 53 4.527 4.763 -0.236 1
1 539 . 4 1 1 A 53 53 ASP C C 53 175.650 175.333 0.317 1
1 540 . 4 1 1 A 53 53 ASP CA C 53 54.322 53.743 0.579 1
1 541 . 4 1 1 A 53 53 ASP CB C 53 41.040 40.773 0.267 1
1 542 . 4 1 1 A 53 53 ASP N N 53 119.656 116.437 3.219 1
1 543 . 4 1 1 A 54 54 ASN H H 54 8.134 8.100 0.034 1
1 544 . 4 1 1 A 54 54 ASN HA H 54 4.970 4.449 0.521 1
1 549 . 4 1 1 A 54 54 ASN CA C 54 51.120 53.946 -2.826 1
1 550 . 4 1 1 A 54 54 ASN CB C 54 39.125 36.855 2.270 1
1 551 . 4 1 1 A 54 54 ASN N N 54 118.436 116.649 1.787 1
1 553 . 4 1 1 A 55 55 PRO HA H 55 4.394 4.413 -0.019 1
1 560 . 4 1 1 A 55 55 PRO C C 55 177.514 177.141 0.373 1
1 561 . 4 1 1 A 55 55 PRO CA C 55 63.910 65.208 -1.298 1
1 562 . 4 1 1 A 55 55 PRO CB C 55 32.077 31.718 0.359 1
1 565 . 4 1 1 A 56 56 LEU H H 56 8.181 7.577 0.604 1
1 566 . 4 1 1 A 56 56 LEU HA H 56 4.268 4.712 -0.444 1
1 576 . 4 1 1 A 56 56 LEU C C 56 178.176 174.590 3.586 1
1 577 . 4 1 1 A 56 56 LEU CA C 56 55.542 54.151 1.391 1
1 578 . 4 1 1 A 56 56 LEU CB C 56 41.783 44.532 -2.749 1
1 582 . 4 1 1 A 56 56 LEU N N 56 120.122 116.751 3.371 1
1 583 . 4 1 1 A 57 57 GLY H H 57 8.071 9.134 -1.063 1
1 584 . 4 1 1 A 57 57 GLY HA2 H 57 3.946 3.936 0.010 1
1 585 . 4 1 1 A 57 57 GLY HA3 H 57 3.946 3.941 0.005 1
1 586 . 4 1 1 A 57 57 GLY C C 57 174.306 174.478 -0.172 1
1 587 . 4 1 1 A 57 57 GLY CA C 57 45.460 46.892 -1.432 1
1 588 . 4 1 1 A 57 57 GLY N N 57 108.437 115.123 -6.686 1
1 589 . 4 1 1 A 58 58 SER H H 58 8.170 8.508 -0.338 1
1 590 . 4 1 1 A 58 58 SER HA H 58 4.460 4.477 -0.017 1
1 593 . 4 1 1 A 58 58 SER C C 58 174.785 175.240 -0.455 1
1 594 . 4 1 1 A 58 58 SER CA C 58 58.319 57.945 0.374 1
1 595 . 4 1 1 A 58 58 SER CB C 58 63.792 65.215 -1.423 1
1 596 . 4 1 1 A 58 58 SER N N 58 115.478 117.405 -1.927 1
1 597 . 4 1 1 A 59 59 LEU H H 59 8.278 8.570 -0.292 1
1 598 . 4 1 1 A 59 59 LEU HA H 59 4.384 4.186 0.198 1
1 608 . 4 1 1 A 59 59 LEU CA C 59 55.219 57.668 -2.449 1
1 609 . 4 1 1 A 59 59 LEU CB C 59 42.377 41.981 0.396 1
1 613 . 4 1 1 A 59 59 LEU N N 59 124.033 124.143 -0.110 1
1 614 . 4 1 1 A 60 60 CYS H H 60 8.331 7.828 0.503 1
1 615 . 4 1 1 A 60 60 CYS HA H 60 4.398 4.480 -0.082 1
1 618 . 4 1 1 A 60 60 CYS C C 60 174.142 174.649 -0.507 1
1 619 . 4 1 1 A 60 60 CYS CA C 60 58.505 57.566 0.939 1
1 620 . 4 1 1 A 60 60 CYS CB C 60 27.338 27.064 0.274 1
1 621 . 4 1 1 A 60 60 CYS N N 60 120.390 117.250 3.140 1
1 622 . 4 1 1 A 61 61 ARG H H 61 8.632 8.579 0.053 1
1 623 . 4 1 1 A 61 61 ARG HA H 61 4.337 4.073 0.264 1
1 630 . 4 1 1 A 61 61 ARG C C 61 176.096 175.998 0.098 1
1 631 . 4 1 1 A 61 61 ARG CA C 61 56.003 57.963 -1.960 1
1 632 . 4 1 1 A 61 61 ARG CB C 61 30.757 30.969 -0.212 1
1 635 . 4 1 1 A 61 61 ARG N N 61 125.869 127.612 -1.743 1
1 636 . 4 1 1 A 62 62 GLY H H 62 7.263 6.603 0.660 1
1 637 . 4 1 1 A 62 62 GLY HA2 H 62 3.008 3.426 -0.418 1
1 638 . 4 1 1 A 62 62 GLY HA3 H 62 3.875 3.805 0.070 1
1 639 . 4 1 1 A 62 62 GLY C C 62 170.609 170.982 -0.373 1
1 640 . 4 1 1 A 62 62 GLY CA C 62 44.808 44.990 -0.182 1
1 641 . 4 1 1 A 62 62 GLY N N 62 107.908 105.387 2.521 1
1 642 . 4 1 1 A 63 63 ILE H H 63 7.895 8.651 -0.756 1
1 643 . 4 1 1 A 63 63 ILE HA H 63 4.843 5.122 -0.279 1
1 653 . 4 1 1 A 63 63 ILE C C 63 175.450 174.442 1.008 1
1 654 . 4 1 1 A 63 63 ILE CA C 63 60.322 59.617 0.705 1
1 655 . 4 1 1 A 63 63 ILE CB C 63 41.957 40.552 1.405 1
1 659 . 4 1 1 A 63 63 ILE N N 63 117.987 123.003 -5.016 1
1 660 . 4 1 1 A 64 64 LEU H H 64 9.429 9.264 0.165 1
1 661 . 4 1 1 A 64 64 LEU HA H 64 4.916 5.172 -0.256 1
1 671 . 4 1 1 A 64 64 LEU C C 64 176.136 174.921 1.215 1
1 672 . 4 1 1 A 64 64 LEU CA C 64 53.059 53.707 -0.648 1
1 673 . 4 1 1 A 64 64 LEU CB C 64 43.788 44.344 -0.556 1
1 677 . 4 1 1 A 64 64 LEU N N 64 127.063 130.012 -2.949 1
1 678 . 4 1 1 A 65 65 ASP H H 65 9.241 9.160 0.081 1
1 679 . 4 1 1 A 65 65 ASP HA H 65 4.818 4.712 0.106 1
1 682 . 4 1 1 A 65 65 ASP C C 65 177.925 176.422 1.503 1
1 683 . 4 1 1 A 65 65 ASP CA C 65 53.628 54.485 -0.857 1
1 684 . 4 1 1 A 65 65 ASP CB C 65 40.307 40.392 -0.085 1
1 685 . 4 1 1 A 65 65 ASP N N 65 122.728 127.040 -4.312 1
1 686 . 4 1 1 A 66 66 LEU H H 66 8.766 8.684 0.082 1
1 687 . 4 1 1 A 66 66 LEU HA H 66 4.212 4.540 -0.328 1
1 697 . 4 1 1 A 66 66 LEU C C 66 177.167 177.335 -0.168 1
1 698 . 4 1 1 A 66 66 LEU CA C 66 57.854 54.916 2.938 1
1 699 . 4 1 1 A 66 66 LEU CB C 66 41.006 41.429 -0.423 1
1 703 . 4 1 1 A 66 66 LEU N N 66 126.997 125.881 1.116 1
1 704 . 4 1 1 A 67 67 ASN H H 67 8.585 8.007 0.578 1
1 705 . 4 1 1 A 67 67 ASN HA H 67 4.721 4.976 -0.255 1
1 710 . 4 1 1 A 67 67 ASN C C 67 176.583 175.577 1.006 1
1 711 . 4 1 1 A 67 67 ASN CA C 67 55.648 53.316 2.332 1
1 712 . 4 1 1 A 67 67 ASN CB C 67 38.464 40.262 -1.798 1
1 713 . 4 1 1 A 67 67 ASN N N 67 113.883 116.674 -2.791 1
1 715 . 4 1 1 A 68 68 THR H H 68 8.007 7.649 0.358 1
1 716 . 4 1 1 A 68 68 THR HA H 68 4.513 4.643 -0.130 1
1 721 . 4 1 1 A 68 68 THR C C 68 172.870 173.595 -0.725 1
1 722 . 4 1 1 A 68 68 THR CA C 68 61.441 60.277 1.164 1
1 723 . 4 1 1 A 68 68 THR CB C 68 69.432 68.789 0.643 1
1 725 . 4 1 1 A 68 68 THR N N 68 108.340 106.937 1.403 1
1 726 . 4 1 1 A 69 69 TYR H H 69 7.560 8.215 -0.655 1
1 727 . 4 1 1 A 69 69 TYR HA H 69 5.199 5.484 -0.285 1
1 734 . 4 1 1 A 69 69 TYR C C 69 174.283 174.495 -0.212 1
1 735 . 4 1 1 A 69 69 TYR CA C 69 57.848 56.380 1.468 1
1 736 . 4 1 1 A 69 69 TYR CB C 69 44.393 43.636 0.757 1
1 741 . 4 1 1 A 69 69 TYR N N 69 119.888 121.645 -1.757 1
1 742 . 4 1 1 A 70 70 ASN H H 70 9.116 9.261 -0.145 1
1 743 . 4 1 1 A 70 70 ASN HA H 70 5.162 5.481 -0.319 1
1 748 . 4 1 1 A 70 70 ASN C C 70 174.340 174.332 0.008 1
1 749 . 4 1 1 A 70 70 ASN CA C 70 52.364 52.440 -0.076 1
1 750 . 4 1 1 A 70 70 ASN CB C 70 42.062 42.690 -0.628 1
1 751 . 4 1 1 A 70 70 ASN N N 70 116.071 117.696 -1.625 1
1 753 . 4 1 1 A 71 71 VAL H H 71 8.564 9.080 -0.516 1
1 754 . 4 1 1 A 71 71 VAL HA H 71 5.766 4.787 0.979 1
1 762 . 4 1 1 A 71 71 VAL C C 71 173.261 175.725 -2.464 1
1 763 . 4 1 1 A 71 71 VAL CA C 71 59.076 61.999 -2.923 1
1 764 . 4 1 1 A 71 71 VAL CB C 71 34.982 32.616 2.366 1
1 767 . 4 1 1 A 71 71 VAL N N 71 120.784 124.863 -4.079 1
1 768 . 4 1 1 A 72 72 VAL H H 72 9.308 8.819 0.489 1
1 769 . 4 1 1 A 72 72 VAL HA H 72 4.806 4.656 0.150 1
1 777 . 4 1 1 A 72 72 VAL C C 72 175.047 173.751 1.296 1
1 778 . 4 1 1 A 72 72 VAL CA C 72 60.330 58.925 1.405 1
1 779 . 4 1 1 A 72 72 VAL CB C 72 36.467 35.194 1.273 1
1 782 . 4 1 1 A 72 72 VAL N N 72 125.272 121.379 3.893 1
1 783 . 4 1 1 A 73 73 LYS H H 73 8.793 8.245 0.548 1
1 784 . 4 1 1 A 73 73 LYS HA H 73 4.652 3.056 1.596 1
1 793 . 4 1 1 A 73 73 LYS C C 73 176.241 174.478 1.763 1
1 794 . 4 1 1 A 73 73 LYS CA C 73 55.799 55.199 0.600 1
1 795 . 4 1 1 A 73 73 LYS CB C 73 33.452 32.727 0.725 1
1 799 . 4 1 1 A 73 73 LYS N N 73 124.197 124.404 -0.207 1
1 800 . 4 1 1 A 74 74 ALA H H 74 8.172 8.564 -0.392 1
1 801 . 4 1 1 A 74 74 ALA HA H 74 4.849 4.412 0.437 1
1 805 . 4 1 1 A 74 74 ALA CA C 74 49.540 49.789 -0.249 1
1 806 . 4 1 1 A 74 74 ALA CB C 74 17.685 19.952 -2.267 1
1 807 . 4 1 1 A 74 74 ALA N N 74 128.026 130.206 -2.180 1
1 808 . 4 1 1 A 75 75 PRO HA H 75 4.351 4.372 -0.021 1
1 815 . 4 1 1 A 75 75 PRO CA C 75 65.256 65.186 0.070 1
1 816 . 4 1 1 A 75 75 PRO CB C 75 32.158 31.486 0.672 1
1 819 . 4 1 1 A 76 76 GLN H H 76 8.660 7.905 0.755 1
1 820 . 4 1 1 A 76 76 GLN HA H 76 4.561 4.187 0.374 1
1 825 . 4 1 1 A 76 76 GLN C C 76 176.426 176.896 -0.470 1
1 826 . 4 1 1 A 76 76 GLN CA C 76 55.168 56.657 -1.489 1
1 827 . 4 1 1 A 76 76 GLN CB C 76 28.925 28.791 0.134 1
1 829 . 4 1 1 A 76 76 GLN N N 76 116.110 117.323 -1.213 1
1 830 . 4 1 1 A 77 77 GLY H H 77 7.527 7.763 -0.236 1
1 831 . 4 1 1 A 77 77 GLY HA2 H 77 3.382 3.968 -0.586 1
1 832 . 4 1 1 A 77 77 GLY HA3 H 77 4.505 4.002 0.503 1
1 833 . 4 1 1 A 77 77 GLY C C 77 172.487 172.453 0.034 1
1 834 . 4 1 1 A 77 77 GLY CA C 77 44.852 44.836 0.016 1
1 835 . 4 1 1 A 77 77 GLY N N 77 107.608 107.239 0.369 1
1 836 . 4 1 1 A 78 78 LYS H H 78 8.123 8.412 -0.289 1
1 837 . 4 1 1 A 78 78 LYS HA H 78 4.191 4.953 -0.762 1
1 846 . 4 1 1 A 78 78 LYS C C 78 175.300 175.824 -0.524 1
1 847 . 4 1 1 A 78 78 LYS CA C 78 56.737 54.333 2.404 1
1 848 . 4 1 1 A 78 78 LYS CB C 78 35.900 35.908 -0.008 1
1 852 . 4 1 1 A 78 78 LYS N N 78 117.756 120.210 -2.454 1
1 853 . 4 1 1 A 79 79 ASN H H 79 9.105 8.778 0.327 1
1 854 . 4 1 1 A 79 79 ASN HA H 79 4.099 4.133 -0.034 1
1 859 . 4 1 1 A 79 79 ASN C C 79 175.098 174.886 0.212 1
1 860 . 4 1 1 A 79 79 ASN CA C 79 54.563 55.361 -0.798 1
1 861 . 4 1 1 A 79 79 ASN CB C 79 37.353 36.858 0.495 1
1 862 . 4 1 1 A 79 79 ASN N N 79 120.643 120.536 0.107 1
1 864 . 4 1 1 A 80 80 GLN H H 80 8.608 8.345 0.263 1
1 865 . 4 1 1 A 80 80 GLN HA H 80 3.648 4.440 -0.792 1
1 870 . 4 1 1 A 80 80 GLN C C 80 175.327 174.888 0.439 1
1 871 . 4 1 1 A 80 80 GLN CA C 80 57.975 55.550 2.425 1
1 872 . 4 1 1 A 80 80 GLN CB C 80 26.506 30.419 -3.913 1
1 874 . 4 1 1 A 80 80 GLN N N 80 108.385 120.398 -12.013 1
1 875 . 4 1 1 A 81 81 LYS H H 81 7.608 7.682 -0.074 1
1 876 . 4 1 1 A 81 81 LYS HA H 81 4.325 4.435 -0.110 1
1 885 . 4 1 1 A 81 81 LYS C C 81 176.242 176.396 -0.154 1
1 886 . 4 1 1 A 81 81 LYS CA C 81 54.186 54.509 -0.323 1
1 887 . 4 1 1 A 81 81 LYS CB C 81 33.385 34.135 -0.750 1
1 891 . 4 1 1 A 81 81 LYS N N 81 119.675 120.049 -0.374 1
1 892 . 4 1 1 A 82 82 SER H H 82 7.692 8.103 -0.411 1
1 893 . 4 1 1 A 82 82 SER HA H 82 3.850 4.367 -0.517 1
1 896 . 4 1 1 A 82 82 SER C C 82 174.045 173.307 0.738 1
1 897 . 4 1 1 A 82 82 SER CA C 82 60.984 58.451 2.533 1
1 898 . 4 1 1 A 82 82 SER CB C 82 62.962 63.694 -0.732 1
1 899 . 4 1 1 A 82 82 SER N N 82 117.008 114.451 2.557 1
1 900 . 4 1 1 A 83 83 PHE H H 83 8.545 7.597 0.948 1
1 901 . 4 1 1 A 83 83 PHE HA H 83 4.921 4.883 0.038 1
1 908 . 4 1 1 A 83 83 PHE C C 83 172.686 175.358 -2.672 1
1 909 . 4 1 1 A 83 83 PHE CA C 83 55.383 56.981 -1.598 1
1 910 . 4 1 1 A 83 83 PHE CB C 83 37.774 38.926 -1.152 1
1 915 . 4 1 1 A 83 83 PHE N N 83 124.073 119.060 5.013 1
1 916 . 4 1 1 A 84 84 VAL H H 84 8.420 8.818 -0.398 1
1 917 . 4 1 1 A 84 84 VAL HA H 84 5.348 5.189 0.159 1
1 925 . 4 1 1 A 84 84 VAL C C 84 175.816 174.826 0.990 1
1 926 . 4 1 1 A 84 84 VAL CA C 84 60.177 60.620 -0.443 1
1 927 . 4 1 1 A 84 84 VAL CB C 84 37.646 35.940 1.706 1
1 930 . 4 1 1 A 84 84 VAL N N 84 123.085 123.151 -0.066 1
1 931 . 4 1 1 A 85 85 PHE H H 85 8.812 9.098 -0.286 1
1 932 . 4 1 1 A 85 85 PHE HA H 85 5.510 5.214 0.296 1
1 940 . 4 1 1 A 85 85 PHE C C 85 171.610 174.515 -2.905 1
1 941 . 4 1 1 A 85 85 PHE CA C 85 55.360 56.019 -0.659 1
1 942 . 4 1 1 A 85 85 PHE CB C 85 41.424 41.047 0.377 1
1 948 . 4 1 1 A 85 85 PHE N N 85 122.454 124.740 -2.286 1
1 949 . 4 1 1 A 86 86 ILE H H 86 9.406 8.960 0.446 1
1 950 . 4 1 1 A 86 86 ILE HA H 86 4.844 4.888 -0.044 1
1 960 . 4 1 1 A 86 86 ILE C C 86 175.559 174.910 0.649 1
1 961 . 4 1 1 A 86 86 ILE CA C 86 60.323 60.283 0.040 1
1 962 . 4 1 1 A 86 86 ILE CB C 86 42.374 40.314 2.060 1
1 966 . 4 1 1 A 86 86 ILE N N 86 120.483 123.795 -3.312 1
1 967 . 4 1 1 A 87 87 LEU H H 87 9.450 9.116 0.334 1
1 968 . 4 1 1 A 87 87 LEU HA H 87 5.238 5.589 -0.351 1
1 978 . 4 1 1 A 87 87 LEU C C 87 175.145 175.818 -0.673 1
1 979 . 4 1 1 A 87 87 LEU CA C 87 52.778 53.068 -0.290 1
1 980 . 4 1 1 A 87 87 LEU CB C 87 40.657 43.843 -3.186 1
1 984 . 4 1 1 A 87 87 LEU N N 87 126.149 127.581 -1.432 1
1 985 . 4 1 1 A 88 88 GLU H H 88 9.120 9.221 -0.101 1
1 986 . 4 1 1 A 88 88 GLU HA H 88 4.986 4.952 0.034 1
1 991 . 4 1 1 A 88 88 GLU CA C 88 52.677 52.734 -0.057 1
1 992 . 4 1 1 A 88 88 GLU CB C 88 31.511 30.970 0.541 1
1 994 . 4 1 1 A 88 88 GLU N N 88 126.028 123.954 2.074 1
1 995 . 4 1 1 A 89 89 PRO HA H 89 4.239 3.931 0.308 1
1 1002 . 4 1 1 A 89 89 PRO C C 89 177.398 177.072 0.326 1
1 1003 . 4 1 1 A 89 89 PRO CA C 89 63.214 62.864 0.350 1
1 1004 . 4 1 1 A 89 89 PRO CB C 89 32.855 31.726 1.129 1
1 1007 . 4 1 1 A 90 90 LYS H H 90 8.166 8.524 -0.358 1
1 1008 . 4 1 1 A 90 90 LYS HA H 90 4.041 4.340 -0.299 1
1 1017 . 4 1 1 A 90 90 LYS C C 90 177.384 177.141 0.243 1
1 1018 . 4 1 1 A 90 90 LYS CA C 90 58.404 56.973 1.431 1
1 1019 . 4 1 1 A 90 90 LYS CB C 90 33.133 31.996 1.137 1
1 1023 . 4 1 1 A 90 90 LYS N N 90 121.350 122.370 -1.020 1
1 1024 . 4 1 1 A 91 91 GLN H H 91 8.252 7.844 0.408 1
1 1025 . 4 1 1 A 91 91 GLN HA H 91 4.423 4.121 0.302 1
1 1032 . 4 1 1 A 91 91 GLN C C 91 175.039 176.585 -1.546 1
1 1033 . 4 1 1 A 91 91 GLN CA C 91 54.303 58.086 -3.783 1
1 1034 . 4 1 1 A 91 91 GLN CB C 91 29.208 28.996 0.212 1
1 1036 . 4 1 1 A 91 91 GLN N N 91 118.759 119.550 -0.791 1
1 1038 . 4 1 1 A 92 92 GLN H H 92 8.460 7.556 0.904 1
1 1039 . 4 1 1 A 92 92 GLN HA H 92 4.057 4.542 -0.485 1
1 1044 . 4 1 1 A 92 92 GLN C C 92 177.080 176.496 0.584 1
1 1045 . 4 1 1 A 92 92 GLN CA C 92 57.446 57.137 0.309 1
1 1046 . 4 1 1 A 92 92 GLN CB C 92 28.472 30.864 -2.392 1
1 1048 . 4 1 1 A 92 92 GLN N N 92 124.928 114.721 10.207 1
1 1049 . 4 1 1 A 93 93 GLY H H 93 8.870 7.884 0.986 1
1 1050 . 4 1 1 A 93 93 GLY HA2 H 93 3.639 4.074 -0.435 1
1 1051 . 4 1 1 A 93 93 GLY HA3 H 93 4.338 4.075 0.263 1
1 1052 . 4 1 1 A 93 93 GLY C C 93 174.298 173.728 0.570 1
1 1053 . 4 1 1 A 93 93 GLY CA C 93 45.336 45.528 -0.192 1
1 1054 . 4 1 1 A 93 93 GLY N N 93 113.393 106.408 6.985 1
1 1055 . 4 1 1 A 94 94 ASP H H 94 7.546 7.558 -0.012 1
1 1056 . 4 1 1 A 94 94 ASP HA H 94 5.056 4.732 0.324 1
1 1059 . 4 1 1 A 94 94 ASP CA C 94 52.662 52.891 -0.229 1
1 1060 . 4 1 1 A 94 94 ASP CB C 94 40.179 39.639 0.540 1
1 1061 . 4 1 1 A 94 94 ASP N N 94 123.111 121.033 2.078 1
1 1062 . 4 1 1 A 95 95 PRO HA H 95 4.933 4.714 0.219 1
1 1069 . 4 1 1 A 95 95 PRO CA C 95 61.243 61.435 -0.192 1
1 1070 . 4 1 1 A 95 95 PRO CB C 95 31.234 31.929 -0.695 1
1 1073 . 4 1 1 A 96 96 PRO HA H 96 5.190 5.038 0.152 1
1 1080 . 4 1 1 A 96 96 PRO C C 96 176.664 175.594 1.070 1
1 1081 . 4 1 1 A 96 96 PRO CA C 96 62.399 62.458 -0.059 1
1 1082 . 4 1 1 A 96 96 PRO CB C 96 32.850 32.972 -0.122 1
1 1085 . 4 1 1 A 97 97 VAL H H 97 8.448 8.314 0.134 1
1 1086 . 4 1 1 A 97 97 VAL HA H 97 4.145 4.760 -0.615 1
1 1094 . 4 1 1 A 97 97 VAL C C 97 174.020 175.197 -1.177 1
1 1095 . 4 1 1 A 97 97 VAL CA C 97 61.710 60.764 0.946 1
1 1096 . 4 1 1 A 97 97 VAL CB C 97 33.977 35.475 -1.498 1
1 1099 . 4 1 1 A 97 97 VAL N N 97 121.904 119.737 2.167 1
1 1100 . 4 1 1 A 98 98 GLU H H 98 8.599 8.740 -0.141 1
1 1101 . 4 1 1 A 98 98 GLU HA H 98 4.778 5.216 -0.438 1
1 1106 . 4 1 1 A 98 98 GLU C C 98 173.807 176.100 -2.293 1
1 1107 . 4 1 1 A 98 98 GLU CA C 98 55.674 55.378 0.296 1
1 1108 . 4 1 1 A 98 98 GLU CB C 98 30.827 32.441 -1.614 1
1 1110 . 4 1 1 A 98 98 GLU N N 98 126.577 126.971 -0.394 1
1 1111 . 4 1 1 A 99 99 PHE H H 99 8.701 9.011 -0.310 1
1 1112 . 4 1 1 A 99 99 PHE HA H 99 5.773 5.835 -0.062 1
1 1120 . 4 1 1 A 99 99 PHE C C 99 174.648 175.122 -0.474 1
1 1121 . 4 1 1 A 99 99 PHE CA C 99 55.799 57.098 -1.299 1
1 1122 . 4 1 1 A 99 99 PHE CB C 99 44.025 43.783 0.242 1
1 1128 . 4 1 1 A 99 99 PHE N N 99 120.755 120.591 0.164 1
1 1129 . 4 1 1 A 100 100 ALA H H 100 8.737 8.619 0.118 1
1 1130 . 4 1 1 A 100 100 ALA HA H 100 5.669 5.264 0.405 1
1 1134 . 4 1 1 A 100 100 ALA C C 100 176.491 176.246 0.245 1
1 1135 . 4 1 1 A 100 100 ALA CA C 100 49.850 51.372 -1.522 1
1 1136 . 4 1 1 A 100 100 ALA CB C 100 23.399 23.155 0.244 1
1 1137 . 4 1 1 A 100 100 ALA N N 100 118.211 121.937 -3.726 1
1 1138 . 4 1 1 A 101 101 THR H H 101 8.272 8.772 -0.500 1
1 1139 . 4 1 1 A 101 101 THR HA H 101 5.232 4.965 0.267 1
1 1144 . 4 1 1 A 101 101 THR C C 101 174.787 173.495 1.292 1
1 1145 . 4 1 1 A 101 101 THR CA C 101 59.068 60.191 -1.123 1
1 1146 . 4 1 1 A 101 101 THR CB C 101 70.089 72.182 -2.093 1
1 1148 . 4 1 1 A 101 101 THR N N 101 108.062 109.710 -1.648 1
1 1149 . 4 1 1 A 102 102 ASP H H 102 8.625 8.698 -0.073 1
1 1150 . 4 1 1 A 102 102 ASP HA H 102 5.009 4.885 0.124 1
1 1153 . 4 1 1 A 102 102 ASP C C 102 177.730 175.415 2.315 1
1 1154 . 4 1 1 A 102 102 ASP CA C 102 56.976 54.207 2.769 1
1 1155 . 4 1 1 A 102 102 ASP CB C 102 42.543 42.653 -0.110 1
1 1156 . 4 1 1 A 102 102 ASP N N 102 118.482 118.081 0.401 1
1 1157 . 4 1 1 A 103 103 ARG H H 103 8.208 7.463 0.745 1
1 1158 . 4 1 1 A 103 103 ARG HA H 103 4.772 4.892 -0.120 1
1 1165 . 4 1 1 A 103 103 ARG C C 103 178.000 176.000 2.000 1
1 1166 . 4 1 1 A 103 103 ARG CA C 103 54.079 53.993 0.086 1
1 1167 . 4 1 1 A 103 103 ARG CB C 103 33.914 34.693 -0.779 1
1 1170 . 4 1 1 A 103 103 ARG N N 103 116.043 117.930 -1.887 1
1 1171 . 4 1 1 A 104 104 VAL H H 104 8.516 8.499 0.017 1
1 1172 . 4 1 1 A 104 104 VAL HA H 104 2.857 3.700 -0.843 1
1 1180 . 4 1 1 A 104 104 VAL C C 104 176.158 177.737 -1.579 1
1 1181 . 4 1 1 A 104 104 VAL CA C 104 64.625 64.561 0.064 1
1 1182 . 4 1 1 A 104 104 VAL CB C 104 30.883 31.475 -0.592 1
1 1185 . 4 1 1 A 104 104 VAL N N 104 128.496 122.863 5.633 1
1 1186 . 4 1 1 A 105 105 GLU H H 105 9.414 8.121 1.293 1
1 1187 . 4 1 1 A 105 105 GLU HA H 105 3.989 4.072 -0.083 1
1 1192 . 4 1 1 A 105 105 GLU C C 105 179.982 179.308 0.674 1
1 1193 . 4 1 1 A 105 105 GLU CA C 105 60.599 59.578 1.021 1
1 1194 . 4 1 1 A 105 105 GLU CB C 105 27.973 29.654 -1.681 1
1 1196 . 4 1 1 A 105 105 GLU N N 105 121.934 122.569 -0.635 1
1 1197 . 4 1 1 A 106 106 GLU H H 106 6.769 8.256 -1.487 1
1 1198 . 4 1 1 A 106 106 GLU HA H 106 4.370 4.080 0.290 1
1 1203 . 4 1 1 A 106 106 GLU C C 106 178.312 179.181 -0.869 1
1 1204 . 4 1 1 A 106 106 GLU CA C 106 58.503 59.149 -0.646 1
1 1205 . 4 1 1 A 106 106 GLU CB C 106 30.657 29.360 1.297 1
1 1207 . 4 1 1 A 106 106 GLU N N 106 116.721 120.626 -3.905 1
1 1208 . 4 1 1 A 107 107 LEU H H 107 7.161 7.962 -0.801 1
1 1209 . 4 1 1 A 107 107 LEU HA H 107 4.040 3.977 0.063 1
1 1219 . 4 1 1 A 107 107 LEU C C 107 177.985 178.401 -0.416 1
1 1220 . 4 1 1 A 107 107 LEU CA C 107 58.930 58.069 0.861 1
1 1221 . 4 1 1 A 107 107 LEU CB C 107 40.058 42.007 -1.949 1
1 1225 . 4 1 1 A 107 107 LEU N N 107 122.171 122.481 -0.310 1
1 1226 . 4 1 1 A 108 108 PHE H H 108 7.986 8.266 -0.280 1
1 1227 . 4 1 1 A 108 108 PHE HA H 108 4.199 4.012 0.187 1
1 1234 . 4 1 1 A 108 108 PHE C C 108 178.069 177.445 0.624 1
1 1235 . 4 1 1 A 108 108 PHE CA C 108 61.167 61.192 -0.025 1
1 1236 . 4 1 1 A 108 108 PHE CB C 108 38.208 38.737 -0.529 1
1 1241 . 4 1 1 A 108 108 PHE N N 108 116.696 119.261 -2.565 1
1 1242 . 4 1 1 A 109 109 GLU H H 109 7.719 8.574 -0.855 1
1 1243 . 4 1 1 A 109 109 GLU HA H 109 3.951 3.992 -0.041 1
1 1248 . 4 1 1 A 109 109 GLU C C 109 179.858 179.237 0.621 1
1 1249 . 4 1 1 A 109 109 GLU CA C 109 59.664 59.439 0.225 1
1 1250 . 4 1 1 A 109 109 GLU CB C 109 29.923 29.152 0.771 1
1 1252 . 4 1 1 A 109 109 GLU N N 109 119.214 118.515 0.699 1
1 1253 . 4 1 1 A 110 110 TRP H H 110 8.445 7.826 0.619 1
1 1254 . 4 1 1 A 110 110 TRP HA H 110 3.634 4.239 -0.605 1
1 1263 . 4 1 1 A 110 110 TRP C C 110 177.691 178.968 -1.277 1
1 1264 . 4 1 1 A 110 110 TRP CA C 110 62.078 60.151 1.927 1
1 1265 . 4 1 1 A 110 110 TRP CB C 110 29.275 29.227 0.048 1
1 1271 . 4 1 1 A 110 110 TRP N N 110 120.045 120.555 -0.510 1
1 1273 . 4 1 1 A 111 111 PHE H H 111 8.668 7.793 0.875 1
1 1274 . 4 1 1 A 111 111 PHE HA H 111 3.436 4.146 -0.710 1
1 1282 . 4 1 1 A 111 111 PHE C C 111 176.547 177.848 -1.301 1
1 1283 . 4 1 1 A 111 111 PHE CA C 111 62.182 61.067 1.115 1
1 1284 . 4 1 1 A 111 111 PHE CB C 111 39.904 37.358 2.546 1
1 1290 . 4 1 1 A 111 111 PHE N N 111 117.907 118.355 -0.448 1
1 1291 . 4 1 1 A 112 112 GLN H H 112 8.254 8.484 -0.230 1
1 1292 . 4 1 1 A 112 112 GLN HA H 112 3.685 3.791 -0.106 1
1 1299 . 4 1 1 A 112 112 GLN C C 112 178.503 177.923 0.580 1
1 1300 . 4 1 1 A 112 112 GLN CA C 112 58.624 58.609 0.015 1
1 1301 . 4 1 1 A 112 112 GLN CB C 112 27.980 28.387 -0.407 1
1 1303 . 4 1 1 A 112 112 GLN N N 112 116.394 121.082 -4.688 1
1 1305 . 4 1 1 A 113 113 SER H H 113 7.741 7.329 0.412 1
1 1306 . 4 1 1 A 113 113 SER HA H 113 4.036 4.474 -0.438 1
1 1309 . 4 1 1 A 113 113 SER C C 113 176.428 177.470 -1.042 1
1 1310 . 4 1 1 A 113 113 SER CA C 113 62.062 61.342 0.720 1
1 1311 . 4 1 1 A 113 113 SER CB C 113 62.655 62.763 -0.108 1
1 1312 . 4 1 1 A 113 113 SER N N 113 114.734 114.660 0.074 1
1 1313 . 4 1 1 A 114 114 ILE H H 114 7.915 7.637 0.278 1
1 1314 . 4 1 1 A 114 114 ILE HA H 114 3.559 3.700 -0.141 1
1 1324 . 4 1 1 A 114 114 ILE C C 114 178.594 178.275 0.319 1
1 1325 . 4 1 1 A 114 114 ILE CA C 114 65.364 65.044 0.320 1
1 1326 . 4 1 1 A 114 114 ILE CB C 114 38.395 37.577 0.818 1
1 1330 . 4 1 1 A 114 114 ILE N N 114 119.893 121.455 -1.562 1
1 1331 . 4 1 1 A 115 115 ARG H H 115 8.581 7.978 0.603 1
1 1332 . 4 1 1 A 115 115 ARG HA H 115 3.881 4.354 -0.473 1
1 1339 . 4 1 1 A 115 115 ARG C C 115 177.921 179.037 -1.116 1
1 1340 . 4 1 1 A 115 115 ARG CA C 115 58.689 59.388 -0.699 1
1 1341 . 4 1 1 A 115 115 ARG CB C 115 29.134 29.770 -0.636 1
1 1344 . 4 1 1 A 115 115 ARG N N 115 123.090 121.135 1.955 1
1 1345 . 4 1 1 A 116 116 GLU H H 116 7.653 8.114 -0.461 1
1 1346 . 4 1 1 A 116 116 GLU HA H 116 3.959 4.158 -0.199 1
1 1351 . 4 1 1 A 116 116 GLU C C 116 178.178 177.556 0.622 1
1 1352 . 4 1 1 A 116 116 GLU CA C 116 58.767 58.911 -0.144 1
1 1353 . 4 1 1 A 116 116 GLU CB C 116 29.501 29.445 0.056 1
1 1355 . 4 1 1 A 116 116 GLU N N 116 116.356 119.061 -2.705 1
1 1356 . 4 1 1 A 117 117 ILE H H 117 7.334 7.627 -0.293 1
1 1357 . 4 1 1 A 117 117 ILE HA H 117 3.909 4.130 -0.221 1
1 1367 . 4 1 1 A 117 117 ILE C C 117 177.733 177.567 0.166 1
1 1368 . 4 1 1 A 117 117 ILE CA C 117 63.443 62.925 0.518 1
1 1369 . 4 1 1 A 117 117 ILE CB C 117 39.059 39.389 -0.330 1
1 1373 . 4 1 1 A 117 117 ILE N N 117 117.514 117.417 0.097 1
1 1374 . 4 1 1 A 118 118 THR H H 118 8.075 7.690 0.385 1
1 1375 . 4 1 1 A 118 118 THR HA H 118 4.367 4.406 -0.039 1
1 1380 . 4 1 1 A 118 118 THR C C 118 176.050 176.071 -0.021 1
1 1381 . 4 1 1 A 118 118 THR CA C 118 63.494 64.319 -0.825 1
1 1382 . 4 1 1 A 118 118 THR CB C 118 70.326 69.592 0.734 1
1 1384 . 4 1 1 A 118 118 THR N N 118 109.879 112.305 -2.426 1
1 1385 . 4 1 1 A 119 119 TRP H H 119 8.283 8.252 0.031 1
1 1386 . 4 1 1 A 119 119 TRP HA H 119 4.792 4.171 0.621 1
1 1395 . 4 1 1 A 119 119 TRP C C 119 175.855 175.417 0.438 1
1 1396 . 4 1 1 A 119 119 TRP CA C 119 57.464 60.147 -2.683 1
1 1397 . 4 1 1 A 119 119 TRP CB C 119 29.488 29.951 -0.463 1
1 1403 . 4 1 1 A 119 119 TRP N N 119 124.034 123.702 0.332 1
1 1405 . 4 1 1 A 120 120 LYS H H 120 7.723 7.672 0.051 1
1 1406 . 4 1 1 A 120 120 LYS HA H 120 4.198 4.628 -0.430 1
1 1415 . 4 1 1 A 120 120 LYS C C 120 176.162 175.217 0.945 1
1 1416 . 4 1 1 A 120 120 LYS CA C 120 56.049 54.632 1.417 1
1 1417 . 4 1 1 A 120 120 LYS CB C 120 32.924 36.583 -3.659 1
1 1421 . 4 1 1 A 120 120 LYS N N 120 123.166 116.850 6.316 1
1 1422 . 4 1 1 A 121 121 ILE H H 121 7.874 8.821 -0.947 1
1 1423 . 4 1 1 A 121 121 ILE HA H 121 4.035 4.702 -0.667 1
1 1433 . 4 1 1 A 121 121 ILE C C 121 175.950 174.091 1.859 1
1 1434 . 4 1 1 A 121 121 ILE CA C 121 61.120 60.411 0.709 1
1 1435 . 4 1 1 A 121 121 ILE CB C 121 38.708 39.801 -1.093 1
1 1439 . 4 1 1 A 121 121 ILE N N 121 121.301 121.179 0.122 1
1 1440 . 4 1 1 A 122 122 ASP H H 122 8.317 8.874 -0.557 1
1 1441 . 4 1 1 A 122 122 ASP HA H 122 4.677 4.883 -0.206 1
1 1444 . 4 1 1 A 122 122 ASP C C 122 176.278 175.224 1.054 1
1 1445 . 4 1 1 A 122 122 ASP CA C 122 54.157 53.524 0.633 1
1 1446 . 4 1 1 A 122 122 ASP CB C 122 41.316 40.816 0.500 1
1 1447 . 4 1 1 A 122 122 ASP N N 122 124.058 128.484 -4.426 1
1 1448 . 4 1 1 A 123 123 THR H H 123 8.003 8.780 -0.777 1
1 1449 . 4 1 1 A 123 123 THR HA H 123 4.307 4.352 -0.045 1
1 1454 . 4 1 1 A 123 123 THR C C 123 173.831 175.329 -1.498 1
1 1455 . 4 1 1 A 123 123 THR CA C 123 61.715 64.366 -2.651 1
1 1456 . 4 1 1 A 123 123 THR CB C 123 69.736 69.813 -0.077 1
1 1458 . 4 1 1 A 123 123 THR N N 123 114.853 120.935 -6.082 1
1 2 . 5 1 1 A 9 9 LYS H H 9 8.338 9.252 -0.914 1
1 3 . 5 1 1 A 9 9 LYS C C 9 176.402 175.228 1.174 1
1 4 . 5 1 1 A 9 9 LYS N N 9 122.857 123.864 -1.007 1
1 5 . 5 1 1 A 10 10 ASP H H 10 8.335 8.541 -0.206 1
1 6 . 5 1 1 A 10 10 ASP HA H 10 4.562 4.311 0.251 1
1 9 . 5 1 1 A 10 10 ASP C C 10 176.123 174.817 1.306 1
1 10 . 5 1 1 A 10 10 ASP CA C 10 54.344 54.740 -0.396 1
1 11 . 5 1 1 A 10 10 ASP CB C 10 41.227 39.536 1.691 1
1 12 . 5 1 1 A 10 10 ASP N N 10 121.507 118.302 3.205 1
1 13 . 5 1 1 A 11 11 GLU H H 11 8.231 8.441 -0.210 1
1 14 . 5 1 1 A 11 11 GLU HA H 11 4.222 4.507 -0.285 1
1 19 . 5 1 1 A 11 11 GLU CA C 11 56.356 55.498 0.858 1
1 20 . 5 1 1 A 11 11 GLU CB C 11 30.439 29.665 0.774 1
1 22 . 5 1 1 A 11 11 GLU N N 11 121.321 123.923 -2.602 1
1 23 . 5 1 1 A 12 12 HIS H H 12 8.431 8.854 -0.423 1
1 24 . 5 1 1 A 12 12 HIS HA H 12 4.618 4.717 -0.099 1
1 28 . 5 1 1 A 12 12 HIS C C 12 174.980 175.056 -0.076 1
1 29 . 5 1 1 A 12 12 HIS CA C 12 55.952 56.948 -0.996 1
1 30 . 5 1 1 A 12 12 HIS CB C 12 30.058 31.246 -1.188 1
1 32 . 5 1 1 A 12 12 HIS N N 12 120.447 126.670 -6.223 1
1 33 . 5 1 1 A 13 13 LYS H H 13 8.191 7.998 0.193 1
1 34 . 5 1 1 A 13 13 LYS HA H 13 4.355 4.135 0.220 1
1 43 . 5 1 1 A 13 13 LYS C C 13 175.327 174.627 0.700 1
1 44 . 5 1 1 A 13 13 LYS CA C 13 55.620 57.148 -1.528 1
1 45 . 5 1 1 A 13 13 LYS CB C 13 33.729 31.417 2.312 1
1 49 . 5 1 1 A 13 13 LYS N N 13 124.365 117.446 6.919 1
1 50 . 5 1 1 A 14 14 GLN H H 14 8.229 8.693 -0.464 1
1 51 . 5 1 1 A 14 14 GLN HA H 14 4.037 4.469 -0.432 1
1 58 . 5 1 1 A 14 14 GLN C C 14 173.432 174.698 -1.266 1
1 59 . 5 1 1 A 14 14 GLN CA C 14 54.613 55.170 -0.557 1
1 60 . 5 1 1 A 14 14 GLN CB C 14 29.096 28.809 0.287 1
1 62 . 5 1 1 A 14 14 GLN N N 14 123.823 124.670 -0.847 1
1 64 . 5 1 1 A 15 15 GLN H H 15 7.896 8.191 -0.295 1
1 65 . 5 1 1 A 15 15 GLN HA H 15 5.459 5.173 0.286 1
1 70 . 5 1 1 A 15 15 GLN C C 15 174.263 175.085 -0.822 1
1 71 . 5 1 1 A 15 15 GLN CA C 15 54.506 54.356 0.150 1
1 72 . 5 1 1 A 15 15 GLN CB C 15 31.418 33.023 -1.605 1
1 74 . 5 1 1 A 15 15 GLN N N 15 121.452 125.669 -4.217 1
1 75 . 5 1 1 A 16 16 GLY H H 16 8.795 8.267 0.528 1
1 76 . 5 1 1 A 16 16 GLY HA2 H 16 4.056 4.229 -0.173 1
1 77 . 5 1 1 A 16 16 GLY HA3 H 16 4.801 4.472 0.329 1
1 78 . 5 1 1 A 16 16 GLY C C 16 171.456 171.556 -0.100 1
1 79 . 5 1 1 A 16 16 GLY CA C 16 44.773 46.113 -1.340 1
1 80 . 5 1 1 A 16 16 GLY N N 16 107.937 109.008 -1.071 1
1 81 . 5 1 1 A 17 17 GLU H H 17 8.718 8.631 0.087 1
1 82 . 5 1 1 A 17 17 GLU HA H 17 5.220 5.226 -0.006 1
1 87 . 5 1 1 A 17 17 GLU C C 17 176.562 174.600 1.962 1
1 88 . 5 1 1 A 17 17 GLU CA C 17 55.880 54.563 1.317 1
1 89 . 5 1 1 A 17 17 GLU CB C 17 30.995 33.374 -2.379 1
1 91 . 5 1 1 A 17 17 GLU N N 17 119.686 122.319 -2.633 1
1 92 . 5 1 1 A 18 18 LEU H H 18 8.806 8.396 0.410 1
1 93 . 5 1 1 A 18 18 LEU HA H 18 4.652 4.450 0.202 1
1 103 . 5 1 1 A 18 18 LEU C C 18 176.851 173.691 3.160 1
1 104 . 5 1 1 A 18 18 LEU CA C 18 53.786 53.499 0.287 1
1 105 . 5 1 1 A 18 18 LEU CB C 18 47.961 45.182 2.779 1
1 109 . 5 1 1 A 18 18 LEU N N 18 122.158 122.385 -0.227 1
1 110 . 5 1 1 A 19 19 TYR H H 19 8.833 8.184 0.649 1
1 111 . 5 1 1 A 19 19 TYR HA H 19 5.837 5.600 0.237 1
1 118 . 5 1 1 A 19 19 TYR C C 19 176.038 175.529 0.509 1
1 119 . 5 1 1 A 19 19 TYR CA C 19 56.750 56.832 -0.082 1
1 120 . 5 1 1 A 19 19 TYR CB C 19 40.531 41.300 -0.769 1
1 125 . 5 1 1 A 19 19 TYR N N 19 117.278 121.700 -4.422 1
1 126 . 5 1 1 A 20 20 MET H H 20 9.743 9.299 0.444 1
1 127 . 5 1 1 A 20 20 MET HA H 20 5.207 5.280 -0.073 1
1 135 . 5 1 1 A 20 20 MET C C 20 175.349 175.123 0.226 1
1 136 . 5 1 1 A 20 20 MET CA C 20 54.611 54.377 0.234 1
1 137 . 5 1 1 A 20 20 MET CB C 20 37.352 36.105 1.247 1
1 140 . 5 1 1 A 20 20 MET N N 20 120.128 121.204 -1.076 1
1 141 . 5 1 1 A 21 21 TRP H H 21 8.142 8.315 -0.173 1
1 142 . 5 1 1 A 21 21 TRP HA H 21 4.084 3.682 0.402 1
1 150 . 5 1 1 A 21 21 TRP C C 21 174.752 174.483 0.269 1
1 151 . 5 1 1 A 21 21 TRP CA C 21 56.246 57.851 -1.605 1
1 152 . 5 1 1 A 21 21 TRP CB C 21 29.682 29.561 0.121 1
1 157 . 5 1 1 A 21 21 TRP N N 21 126.799 125.591 1.208 1
1 159 . 5 1 1 A 22 22 ASP H H 22 8.034 7.894 0.140 1
1 160 . 5 1 1 A 22 22 ASP HA H 22 4.417 4.551 -0.134 1
1 163 . 5 1 1 A 22 22 ASP C C 22 175.814 175.870 -0.056 1
1 164 . 5 1 1 A 22 22 ASP CA C 22 52.020 52.722 -0.702 1
1 165 . 5 1 1 A 22 22 ASP CB C 22 41.748 41.088 0.660 1
1 166 . 5 1 1 A 22 22 ASP N N 22 129.313 127.038 2.275 1
1 167 . 5 1 1 A 23 23 SER H H 23 8.331 8.374 -0.043 1
1 168 . 5 1 1 A 23 23 SER HA H 23 3.719 3.834 -0.115 1
1 171 . 5 1 1 A 23 23 SER C C 23 175.145 175.791 -0.646 1
1 172 . 5 1 1 A 23 23 SER CA C 23 59.732 60.342 -0.610 1
1 173 . 5 1 1 A 23 23 SER CB C 23 63.304 62.901 0.403 1
1 174 . 5 1 1 A 23 23 SER N N 23 119.796 118.474 1.322 1
1 175 . 5 1 1 A 24 24 ILE H H 24 8.044 7.606 0.438 1
1 176 . 5 1 1 A 24 24 ILE HA H 24 3.849 3.763 0.086 1
1 186 . 5 1 1 A 24 24 ILE C C 24 177.615 176.920 0.695 1
1 187 . 5 1 1 A 24 24 ILE CA C 24 63.257 64.609 -1.352 1
1 188 . 5 1 1 A 24 24 ILE CB C 24 36.400 38.636 -2.236 1
1 192 . 5 1 1 A 24 24 ILE N N 24 124.085 121.803 2.282 1
1 193 . 5 1 1 A 25 25 ASP H H 25 7.641 7.671 -0.030 1
1 194 . 5 1 1 A 25 25 ASP HA H 25 4.492 4.669 -0.177 1
1 197 . 5 1 1 A 25 25 ASP C C 25 175.486 175.201 0.285 1
1 198 . 5 1 1 A 25 25 ASP CA C 25 54.313 53.226 1.087 1
1 199 . 5 1 1 A 25 25 ASP CB C 25 40.789 41.652 -0.863 1
1 200 . 5 1 1 A 25 25 ASP N N 25 118.371 118.263 0.108 1
1 201 . 5 1 1 A 26 26 GLN H H 26 7.340 7.529 -0.189 1
1 202 . 5 1 1 A 26 26 GLN HA H 26 2.828 3.393 -0.565 1
1 209 . 5 1 1 A 26 26 GLN C C 26 173.882 174.554 -0.672 1
1 210 . 5 1 1 A 26 26 GLN CA C 26 55.956 56.579 -0.623 1
1 211 . 5 1 1 A 26 26 GLN CB C 26 25.070 26.680 -1.610 1
1 213 . 5 1 1 A 26 26 GLN N N 26 116.358 116.041 0.317 1
1 215 . 5 1 1 A 27 27 LYS H H 27 6.283 6.586 -0.303 1
1 216 . 5 1 1 A 27 27 LYS HA H 27 4.395 4.882 -0.487 1
1 225 . 5 1 1 A 27 27 LYS C C 27 173.510 174.216 -0.706 1
1 226 . 5 1 1 A 27 27 LYS CA C 27 54.164 55.084 -0.920 1
1 227 . 5 1 1 A 27 27 LYS CB C 27 35.825 34.202 1.623 1
1 231 . 5 1 1 A 27 27 LYS N N 27 114.611 113.605 1.006 1
1 232 . 5 1 1 A 28 28 TRP H H 28 8.751 8.809 -0.058 1
1 233 . 5 1 1 A 28 28 TRP HA H 28 5.383 5.634 -0.251 1
1 242 . 5 1 1 A 28 28 TRP C C 28 177.411 176.525 0.886 1
1 243 . 5 1 1 A 28 28 TRP CA C 28 55.957 55.670 0.287 1
1 244 . 5 1 1 A 28 28 TRP CB C 28 30.752 31.243 -0.491 1
1 250 . 5 1 1 A 28 28 TRP N N 28 121.520 119.654 1.866 1
1 252 . 5 1 1 A 29 29 THR H H 29 9.413 8.683 0.730 1
1 253 . 5 1 1 A 29 29 THR HA H 29 4.852 5.255 -0.403 1
1 258 . 5 1 1 A 29 29 THR C C 29 173.520 173.575 -0.055 1
1 259 . 5 1 1 A 29 29 THR CA C 29 60.308 59.823 0.485 1
1 260 . 5 1 1 A 29 29 THR CB C 29 69.736 71.074 -1.338 1
1 262 . 5 1 1 A 29 29 THR N N 29 117.059 114.133 2.926 1
1 263 . 5 1 1 A 30 30 ARG H H 30 9.117 8.343 0.774 1
1 264 . 5 1 1 A 30 30 ARG HA H 30 4.790 4.466 0.324 1
1 272 . 5 1 1 A 30 30 ARG C C 30 174.447 175.447 -1.000 1
1 273 . 5 1 1 A 30 30 ARG CA C 30 55.949 55.245 0.704 1
1 274 . 5 1 1 A 30 30 ARG CB C 30 33.388 31.301 2.087 1
1 277 . 5 1 1 A 30 30 ARG N N 30 126.027 120.640 5.387 1
1 278 . 5 1 1 A 31 31 HIS H H 31 9.011 8.418 0.593 1
1 279 . 5 1 1 A 31 31 HIS HA H 31 4.636 4.927 -0.291 1
1 282 . 5 1 1 A 31 31 HIS C C 31 173.947 173.494 0.453 1
1 283 . 5 1 1 A 31 31 HIS CA C 31 55.185 54.164 1.021 1
1 284 . 5 1 1 A 31 31 HIS CB C 31 33.332 33.431 -0.099 1
1 285 . 5 1 1 A 31 31 HIS N N 31 121.017 120.833 0.184 1
1 286 . 5 1 1 A 32 32 TYR H H 32 9.361 9.029 0.332 1
1 287 . 5 1 1 A 32 32 TYR HA H 32 4.745 4.848 -0.103 1
1 294 . 5 1 1 A 32 32 TYR C C 32 176.298 174.498 1.800 1
1 295 . 5 1 1 A 32 32 TYR CA C 32 59.316 56.842 2.474 1
1 296 . 5 1 1 A 32 32 TYR CB C 32 39.341 39.496 -0.155 1
1 301 . 5 1 1 A 32 32 TYR N N 32 124.440 124.117 0.323 1
1 302 . 5 1 1 A 33 33 CYS H H 33 8.750 8.439 0.311 1
1 303 . 5 1 1 A 33 33 CYS HA H 33 5.857 5.428 0.429 1
1 306 . 5 1 1 A 33 33 CYS C C 33 172.735 173.963 -1.228 1
1 307 . 5 1 1 A 33 33 CYS CA C 33 57.108 57.684 -0.576 1
1 308 . 5 1 1 A 33 33 CYS CB C 33 32.779 29.841 2.938 1
1 309 . 5 1 1 A 33 33 CYS N N 33 127.462 127.030 0.432 1
1 310 . 5 1 1 A 34 34 ALA H H 34 8.565 8.586 -0.021 1
1 311 . 5 1 1 A 34 34 ALA HA H 34 5.290 4.969 0.321 1
1 315 . 5 1 1 A 34 34 ALA C C 34 176.215 175.841 0.374 1
1 316 . 5 1 1 A 34 34 ALA CA C 34 51.773 52.037 -0.264 1
1 317 . 5 1 1 A 34 34 ALA CB C 34 23.139 21.366 1.773 1
1 318 . 5 1 1 A 34 34 ALA N N 34 121.115 122.300 -1.185 1
1 319 . 5 1 1 A 35 35 ILE H H 35 8.413 8.780 -0.367 1
1 320 . 5 1 1 A 35 35 ILE HA H 35 5.275 4.869 0.406 1
1 330 . 5 1 1 A 35 35 ILE C C 35 175.768 174.870 0.898 1
1 331 . 5 1 1 A 35 35 ILE CA C 35 60.105 60.008 0.097 1
1 332 . 5 1 1 A 35 35 ILE CB C 35 39.737 38.524 1.213 1
1 336 . 5 1 1 A 35 35 ILE N N 35 120.176 123.963 -3.787 1
1 337 . 5 1 1 A 36 36 ALA H H 36 8.666 8.632 0.034 1
1 338 . 5 1 1 A 36 36 ALA HA H 36 4.581 4.711 -0.130 1
1 342 . 5 1 1 A 36 36 ALA CA C 36 52.028 51.196 0.832 1
1 343 . 5 1 1 A 36 36 ALA CB C 36 21.365 21.419 -0.054 1
1 344 . 5 1 1 A 36 36 ALA N N 36 129.732 128.016 1.716 1
1 345 . 5 1 1 A 37 37 ASP H H 37 9.379 8.975 0.404 1
1 346 . 5 1 1 A 37 37 ASP HA H 37 4.228 4.240 -0.012 1
1 349 . 5 1 1 A 37 37 ASP C C 37 174.579 175.602 -1.023 1
1 350 . 5 1 1 A 37 37 ASP CA C 37 55.822 56.511 -0.689 1
1 351 . 5 1 1 A 37 37 ASP CB C 37 39.784 39.491 0.293 1
1 352 . 5 1 1 A 37 37 ASP N N 37 124.926 121.154 3.772 1
1 353 . 5 1 1 A 38 38 ALA H H 38 8.710 8.331 0.379 1
1 354 . 5 1 1 A 38 38 ALA HA H 38 3.911 4.502 -0.591 1
1 358 . 5 1 1 A 38 38 ALA C C 38 174.866 176.355 -1.489 1
1 359 . 5 1 1 A 38 38 ALA CA C 38 53.040 51.502 1.538 1
1 360 . 5 1 1 A 38 38 ALA CB C 38 17.654 20.143 -2.489 1
1 361 . 5 1 1 A 38 38 ALA N N 38 115.547 123.085 -7.538 1
1 362 . 5 1 1 A 39 39 LYS H H 39 8.054 7.715 0.339 1
1 363 . 5 1 1 A 39 39 LYS HA H 39 5.247 5.133 0.114 1
1 372 . 5 1 1 A 39 39 LYS C C 39 175.201 174.589 0.612 1
1 373 . 5 1 1 A 39 39 LYS CA C 39 54.583 54.908 -0.325 1
1 374 . 5 1 1 A 39 39 LYS CB C 39 34.824 36.600 -1.776 1
1 378 . 5 1 1 A 39 39 LYS N N 39 117.589 116.855 0.734 1
1 379 . 5 1 1 A 40 40 LEU H H 40 9.090 8.740 0.350 1
1 380 . 5 1 1 A 40 40 LEU HA H 40 5.353 5.153 0.200 1
1 390 . 5 1 1 A 40 40 LEU C C 40 175.382 175.031 0.351 1
1 391 . 5 1 1 A 40 40 LEU CA C 40 53.987 53.592 0.395 1
1 392 . 5 1 1 A 40 40 LEU CB C 40 45.718 44.719 0.999 1
1 396 . 5 1 1 A 40 40 LEU N N 40 126.300 125.708 0.592 1
1 397 . 5 1 1 A 41 41 SER H H 41 9.539 8.867 0.672 1
1 398 . 5 1 1 A 41 41 SER HA H 41 5.493 5.428 0.065 1
1 401 . 5 1 1 A 41 41 SER C C 41 173.435 173.928 -0.493 1
1 402 . 5 1 1 A 41 41 SER CA C 41 56.816 57.614 -0.798 1
1 403 . 5 1 1 A 41 41 SER CB C 41 65.706 64.649 1.057 1
1 404 . 5 1 1 A 41 41 SER N N 41 123.399 124.755 -1.356 1
1 405 . 5 1 1 A 42 42 PHE H H 42 8.344 8.357 -0.013 1
1 406 . 5 1 1 A 42 42 PHE HA H 42 5.888 5.766 0.122 1
1 414 . 5 1 1 A 42 42 PHE C C 42 175.198 173.575 1.623 1
1 415 . 5 1 1 A 42 42 PHE CA C 42 54.335 55.187 -0.852 1
1 416 . 5 1 1 A 42 42 PHE CB C 42 43.360 42.383 0.977 1
1 422 . 5 1 1 A 42 42 PHE N N 42 117.935 123.189 -5.254 1
1 423 . 5 1 1 A 43 43 SER H H 43 8.843 8.926 -0.083 1
1 424 . 5 1 1 A 43 43 SER HA H 43 4.918 5.127 -0.209 1
1 427 . 5 1 1 A 43 43 SER C C 43 175.040 173.356 1.684 1
1 428 . 5 1 1 A 43 43 SER CA C 43 58.215 56.126 2.089 1
1 429 . 5 1 1 A 43 43 SER CB C 43 66.789 65.700 1.089 1
1 430 . 5 1 1 A 43 43 SER N N 43 117.280 116.941 0.339 1
1 431 . 5 1 1 A 44 44 ASP H H 44 8.818 8.026 0.792 1
1 432 . 5 1 1 A 44 44 ASP HA H 44 4.909 4.825 0.084 1
1 435 . 5 1 1 A 44 44 ASP C C 44 175.955 175.627 0.328 1
1 436 . 5 1 1 A 44 44 ASP CA C 44 54.815 53.811 1.004 1
1 437 . 5 1 1 A 44 44 ASP CB C 44 41.729 41.555 0.174 1
1 438 . 5 1 1 A 44 44 ASP N N 44 120.846 124.373 -3.527 1
1 439 . 5 1 1 A 45 45 ASP H H 45 8.726 8.547 0.179 1
1 440 . 5 1 1 A 45 45 ASP HA H 45 4.273 4.599 -0.326 1
1 443 . 5 1 1 A 45 45 ASP C C 45 177.889 177.622 0.267 1
1 444 . 5 1 1 A 45 45 ASP CA C 45 54.145 55.051 -0.906 1
1 445 . 5 1 1 A 45 45 ASP CB C 45 41.329 41.034 0.295 1
1 446 . 5 1 1 A 45 45 ASP N N 45 120.848 121.839 -0.991 1
1 447 . 5 1 1 A 46 46 ILE H H 46 8.369 8.255 0.114 1
1 448 . 5 1 1 A 46 46 ILE HA H 46 4.079 4.240 -0.161 1
1 458 . 5 1 1 A 46 46 ILE C C 46 177.339 176.448 0.891 1
1 459 . 5 1 1 A 46 46 ILE CA C 46 62.357 61.649 0.708 1
1 460 . 5 1 1 A 46 46 ILE CB C 46 38.708 38.429 0.279 1
1 464 . 5 1 1 A 46 46 ILE N N 46 123.832 119.504 4.328 1
1 465 . 5 1 1 A 47 47 GLU H H 47 8.577 7.998 0.579 1
1 466 . 5 1 1 A 47 47 GLU HA H 47 4.258 4.495 -0.237 1
1 471 . 5 1 1 A 47 47 GLU C C 47 177.164 176.481 0.683 1
1 472 . 5 1 1 A 47 47 GLU CA C 47 57.249 56.879 0.370 1
1 473 . 5 1 1 A 47 47 GLU CB C 47 29.900 32.136 -2.236 1
1 475 . 5 1 1 A 47 47 GLU N N 47 122.294 118.573 3.721 1
1 476 . 5 1 1 A 48 48 GLN H H 48 7.894 7.867 0.027 1
1 477 . 5 1 1 A 48 48 GLN HA H 48 4.365 4.443 -0.078 1
1 484 . 5 1 1 A 48 48 GLN C C 48 176.278 175.154 1.124 1
1 485 . 5 1 1 A 48 48 GLN CA C 48 55.830 54.859 0.971 1
1 486 . 5 1 1 A 48 48 GLN CB C 48 29.383 28.768 0.615 1
1 488 . 5 1 1 A 48 48 GLN N N 48 118.968 119.328 -0.360 1
1 490 . 5 1 1 A 49 49 THR H H 49 8.048 7.570 0.478 1
1 491 . 5 1 1 A 49 49 THR HA H 49 4.331 4.113 0.218 1
1 496 . 5 1 1 A 49 49 THR C C 49 174.784 174.598 0.186 1
1 497 . 5 1 1 A 49 49 THR CA C 49 62.135 62.469 -0.334 1
1 498 . 5 1 1 A 49 49 THR CB C 49 69.736 69.740 -0.004 1
1 500 . 5 1 1 A 49 49 THR N N 49 114.601 113.232 1.369 1
1 501 . 5 1 1 A 50 50 MET H H 50 8.409 8.383 0.026 1
1 502 . 5 1 1 A 50 50 MET HA H 50 4.510 4.792 -0.282 1
1 510 . 5 1 1 A 50 50 MET C C 50 176.451 175.923 0.528 1
1 511 . 5 1 1 A 50 50 MET CA C 50 55.601 54.345 1.256 1
1 512 . 5 1 1 A 50 50 MET CB C 50 32.850 33.352 -0.502 1
1 515 . 5 1 1 A 50 50 MET N N 50 122.660 119.585 3.075 1
1 516 . 5 1 1 A 51 51 GLU H H 51 8.418 7.583 0.835 1
1 517 . 5 1 1 A 51 51 GLU HA H 51 4.272 4.209 0.063 1
1 522 . 5 1 1 A 51 51 GLU C C 51 176.777 176.875 -0.098 1
1 523 . 5 1 1 A 51 51 GLU CA C 51 56.680 56.813 -0.133 1
1 524 . 5 1 1 A 51 51 GLU CB C 51 30.262 30.255 0.007 1
1 526 . 5 1 1 A 51 51 GLU N N 51 121.650 120.174 1.476 1
1 527 . 5 1 1 A 52 52 GLU H H 52 8.325 8.754 -0.429 1
1 528 . 5 1 1 A 52 52 GLU HA H 52 4.174 4.071 0.103 1
1 533 . 5 1 1 A 52 52 GLU C C 52 176.178 176.919 -0.741 1
1 534 . 5 1 1 A 52 52 GLU N N 52 120.869 125.361 -4.492 1
1 535 . 5 1 1 A 53 53 ASP H H 53 8.320 7.725 0.595 1
1 536 . 5 1 1 A 53 53 ASP HA H 53 4.527 4.856 -0.329 1
1 539 . 5 1 1 A 53 53 ASP C C 53 175.650 175.185 0.465 1
1 540 . 5 1 1 A 53 53 ASP CA C 53 54.322 53.319 1.003 1
1 541 . 5 1 1 A 53 53 ASP CB C 53 41.040 41.205 -0.165 1
1 542 . 5 1 1 A 53 53 ASP N N 53 119.656 116.611 3.045 1
1 543 . 5 1 1 A 54 54 ASN H H 54 8.134 8.216 -0.082 1
1 544 . 5 1 1 A 54 54 ASN HA H 54 4.970 4.624 0.346 1
1 549 . 5 1 1 A 54 54 ASN CA C 54 51.120 53.880 -2.760 1
1 550 . 5 1 1 A 54 54 ASN CB C 54 39.125 37.006 2.119 1
1 551 . 5 1 1 A 54 54 ASN N N 54 118.436 113.861 4.575 1
1 553 . 5 1 1 A 55 55 PRO HA H 55 4.394 4.399 -0.005 1
1 560 . 5 1 1 A 55 55 PRO C C 55 177.514 176.999 0.515 1
1 561 . 5 1 1 A 55 55 PRO CA C 55 63.910 65.116 -1.206 1
1 562 . 5 1 1 A 55 55 PRO CB C 55 32.077 31.781 0.296 1
1 565 . 5 1 1 A 56 56 LEU H H 56 8.181 7.700 0.481 1
1 566 . 5 1 1 A 56 56 LEU HA H 56 4.268 4.664 -0.396 1
1 576 . 5 1 1 A 56 56 LEU C C 56 178.176 175.928 2.248 1
1 577 . 5 1 1 A 56 56 LEU CA C 56 55.542 54.145 1.397 1
1 578 . 5 1 1 A 56 56 LEU CB C 56 41.783 44.385 -2.602 1
1 582 . 5 1 1 A 56 56 LEU N N 56 120.122 117.193 2.929 1
1 583 . 5 1 1 A 57 57 GLY H H 57 8.071 9.224 -1.153 1
1 584 . 5 1 1 A 57 57 GLY HA2 H 57 3.946 3.918 0.028 1
1 585 . 5 1 1 A 57 57 GLY HA3 H 57 3.946 3.920 0.026 1
1 586 . 5 1 1 A 57 57 GLY C C 57 174.306 173.520 0.786 1
1 587 . 5 1 1 A 57 57 GLY CA C 57 45.460 46.321 -0.861 1
1 588 . 5 1 1 A 57 57 GLY N N 57 108.437 115.329 -6.892 1
1 589 . 5 1 1 A 58 58 SER H H 58 8.170 7.891 0.279 1
1 590 . 5 1 1 A 58 58 SER HA H 58 4.460 4.497 -0.037 1
1 593 . 5 1 1 A 58 58 SER C C 58 174.785 174.658 0.127 1
1 594 . 5 1 1 A 58 58 SER CA C 58 58.319 58.261 0.058 1
1 595 . 5 1 1 A 58 58 SER CB C 58 63.792 63.856 -0.064 1
1 596 . 5 1 1 A 58 58 SER N N 58 115.478 116.655 -1.177 1
1 597 . 5 1 1 A 59 59 LEU H H 59 8.278 8.695 -0.417 1
1 598 . 5 1 1 A 59 59 LEU HA H 59 4.384 4.046 0.338 1
1 608 . 5 1 1 A 59 59 LEU CA C 59 55.219 58.141 -2.922 1
1 609 . 5 1 1 A 59 59 LEU CB C 59 42.377 41.833 0.544 1
1 613 . 5 1 1 A 59 59 LEU N N 59 124.033 127.625 -3.592 1
1 614 . 5 1 1 A 60 60 CYS H H 60 8.331 7.909 0.422 1
1 615 . 5 1 1 A 60 60 CYS HA H 60 4.398 4.238 0.160 1
1 618 . 5 1 1 A 60 60 CYS C C 60 174.142 174.745 -0.603 1
1 619 . 5 1 1 A 60 60 CYS CA C 60 58.505 59.739 -1.234 1
1 620 . 5 1 1 A 60 60 CYS CB C 60 27.338 27.743 -0.405 1
1 621 . 5 1 1 A 60 60 CYS N N 60 120.390 117.734 2.656 1
1 622 . 5 1 1 A 61 61 ARG H H 61 8.632 8.706 -0.074 1
1 623 . 5 1 1 A 61 61 ARG HA H 61 4.337 4.547 -0.210 1
1 630 . 5 1 1 A 61 61 ARG C C 61 176.096 176.191 -0.095 1
1 631 . 5 1 1 A 61 61 ARG CA C 61 56.003 55.993 0.010 1
1 632 . 5 1 1 A 61 61 ARG CB C 61 30.757 31.868 -1.111 1
1 635 . 5 1 1 A 61 61 ARG N N 61 125.869 125.830 0.039 1
1 636 . 5 1 1 A 62 62 GLY H H 62 7.263 6.302 0.961 1
1 637 . 5 1 1 A 62 62 GLY HA2 H 62 3.008 3.486 -0.478 1
1 638 . 5 1 1 A 62 62 GLY HA3 H 62 3.875 3.822 0.053 1
1 639 . 5 1 1 A 62 62 GLY C C 62 170.609 170.682 -0.073 1
1 640 . 5 1 1 A 62 62 GLY CA C 62 44.808 44.747 0.061 1
1 641 . 5 1 1 A 62 62 GLY N N 62 107.908 103.132 4.776 1
1 642 . 5 1 1 A 63 63 ILE H H 63 7.895 8.398 -0.503 1
1 643 . 5 1 1 A 63 63 ILE HA H 63 4.843 5.040 -0.197 1
1 653 . 5 1 1 A 63 63 ILE C C 63 175.450 174.790 0.660 1
1 654 . 5 1 1 A 63 63 ILE CA C 63 60.322 60.269 0.053 1
1 655 . 5 1 1 A 63 63 ILE CB C 63 41.957 41.576 0.381 1
1 659 . 5 1 1 A 63 63 ILE N N 63 117.987 121.249 -3.262 1
1 660 . 5 1 1 A 64 64 LEU H H 64 9.429 9.098 0.331 1
1 661 . 5 1 1 A 64 64 LEU HA H 64 4.916 4.540 0.376 1
1 671 . 5 1 1 A 64 64 LEU C C 64 176.136 176.337 -0.201 1
1 672 . 5 1 1 A 64 64 LEU CA C 64 53.059 54.343 -1.284 1
1 673 . 5 1 1 A 64 64 LEU CB C 64 43.788 41.231 2.557 1
1 677 . 5 1 1 A 64 64 LEU N N 64 127.063 127.513 -0.450 1
1 678 . 5 1 1 A 65 65 ASP H H 65 9.241 9.057 0.184 1
1 679 . 5 1 1 A 65 65 ASP HA H 65 4.818 4.366 0.452 1
1 682 . 5 1 1 A 65 65 ASP C C 65 177.925 176.567 1.358 1
1 683 . 5 1 1 A 65 65 ASP CA C 65 53.628 56.953 -3.325 1
1 684 . 5 1 1 A 65 65 ASP CB C 65 40.307 40.921 -0.614 1
1 685 . 5 1 1 A 65 65 ASP N N 65 122.728 126.131 -3.403 1
1 686 . 5 1 1 A 66 66 LEU H H 66 8.766 8.029 0.737 1
1 687 . 5 1 1 A 66 66 LEU HA H 66 4.212 4.117 0.095 1
1 697 . 5 1 1 A 66 66 LEU C C 66 177.167 176.676 0.491 1
1 698 . 5 1 1 A 66 66 LEU CA C 66 57.854 56.606 1.248 1
1 699 . 5 1 1 A 66 66 LEU CB C 66 41.006 40.325 0.681 1
1 703 . 5 1 1 A 66 66 LEU N N 66 126.997 116.722 10.275 1
1 704 . 5 1 1 A 67 67 ASN H H 67 8.585 8.354 0.231 1
1 705 . 5 1 1 A 67 67 ASN HA H 67 4.721 4.878 -0.157 1
1 710 . 5 1 1 A 67 67 ASN C C 67 176.583 175.702 0.881 1
1 711 . 5 1 1 A 67 67 ASN CA C 67 55.648 53.826 1.822 1
1 712 . 5 1 1 A 67 67 ASN CB C 67 38.464 40.062 -1.598 1
1 713 . 5 1 1 A 67 67 ASN N N 67 113.883 116.411 -2.528 1
1 715 . 5 1 1 A 68 68 THR H H 68 8.007 8.030 -0.023 1
1 716 . 5 1 1 A 68 68 THR HA H 68 4.513 4.648 -0.135 1
1 721 . 5 1 1 A 68 68 THR C C 68 172.870 173.339 -0.469 1
1 722 . 5 1 1 A 68 68 THR CA C 68 61.441 60.361 1.080 1
1 723 . 5 1 1 A 68 68 THR CB C 68 69.432 68.748 0.684 1
1 725 . 5 1 1 A 68 68 THR N N 68 108.340 106.557 1.783 1
1 726 . 5 1 1 A 69 69 TYR H H 69 7.560 7.754 -0.194 1
1 727 . 5 1 1 A 69 69 TYR HA H 69 5.199 5.504 -0.305 1
1 734 . 5 1 1 A 69 69 TYR C C 69 174.283 174.458 -0.175 1
1 735 . 5 1 1 A 69 69 TYR CA C 69 57.848 56.330 1.518 1
1 736 . 5 1 1 A 69 69 TYR CB C 69 44.393 43.447 0.946 1
1 741 . 5 1 1 A 69 69 TYR N N 69 119.888 121.727 -1.839 1
1 742 . 5 1 1 A 70 70 ASN H H 70 9.116 9.284 -0.168 1
1 743 . 5 1 1 A 70 70 ASN HA H 70 5.162 5.510 -0.348 1
1 748 . 5 1 1 A 70 70 ASN C C 70 174.340 173.594 0.746 1
1 749 . 5 1 1 A 70 70 ASN CA C 70 52.364 52.468 -0.104 1
1 750 . 5 1 1 A 70 70 ASN CB C 70 42.062 42.255 -0.193 1
1 751 . 5 1 1 A 70 70 ASN N N 70 116.071 117.956 -1.885 1
1 753 . 5 1 1 A 71 71 VAL H H 71 8.564 8.906 -0.342 1
1 754 . 5 1 1 A 71 71 VAL HA H 71 5.766 5.093 0.673 1
1 762 . 5 1 1 A 71 71 VAL C C 71 173.261 175.328 -2.067 1
1 763 . 5 1 1 A 71 71 VAL CA C 71 59.076 61.158 -2.082 1
1 764 . 5 1 1 A 71 71 VAL CB C 71 34.982 33.613 1.369 1
1 767 . 5 1 1 A 71 71 VAL N N 71 120.784 125.241 -4.457 1
1 768 . 5 1 1 A 72 72 VAL H H 72 9.308 9.267 0.041 1
1 769 . 5 1 1 A 72 72 VAL HA H 72 4.806 4.804 0.002 1
1 777 . 5 1 1 A 72 72 VAL C C 72 175.047 173.520 1.527 1
1 778 . 5 1 1 A 72 72 VAL CA C 72 60.330 58.394 1.936 1
1 779 . 5 1 1 A 72 72 VAL CB C 72 36.467 35.267 1.200 1
1 782 . 5 1 1 A 72 72 VAL N N 72 125.272 123.678 1.594 1
1 783 . 5 1 1 A 73 73 LYS H H 73 8.793 8.412 0.381 1
1 784 . 5 1 1 A 73 73 LYS HA H 73 4.652 3.064 1.588 1
1 793 . 5 1 1 A 73 73 LYS C C 73 176.241 174.291 1.950 1
1 794 . 5 1 1 A 73 73 LYS CA C 73 55.799 54.412 1.387 1
1 795 . 5 1 1 A 73 73 LYS CB C 73 33.452 32.887 0.565 1
1 799 . 5 1 1 A 73 73 LYS N N 73 124.197 122.654 1.543 1
1 800 . 5 1 1 A 74 74 ALA H H 74 8.172 8.480 -0.308 1
1 801 . 5 1 1 A 74 74 ALA HA H 74 4.849 4.604 0.245 1
1 805 . 5 1 1 A 74 74 ALA CA C 74 49.540 50.011 -0.471 1
1 806 . 5 1 1 A 74 74 ALA CB C 74 17.685 19.613 -1.928 1
1 807 . 5 1 1 A 74 74 ALA N N 74 128.026 129.379 -1.353 1
1 808 . 5 1 1 A 75 75 PRO HA H 75 4.351 4.511 -0.160 1
1 815 . 5 1 1 A 75 75 PRO CA C 75 65.256 62.686 2.570 1
1 816 . 5 1 1 A 75 75 PRO CB C 75 32.158 32.711 -0.553 1
1 819 . 5 1 1 A 76 76 GLN H H 76 8.660 9.042 -0.382 1
1 820 . 5 1 1 A 76 76 GLN HA H 76 4.561 3.927 0.634 1
1 825 . 5 1 1 A 76 76 GLN C C 76 176.426 175.986 0.440 1
1 826 . 5 1 1 A 76 76 GLN CA C 76 55.168 57.150 -1.982 1
1 827 . 5 1 1 A 76 76 GLN CB C 76 28.925 26.890 2.035 1
1 829 . 5 1 1 A 76 76 GLN N N 76 116.110 116.018 0.092 1
1 830 . 5 1 1 A 77 77 GLY H H 77 7.527 8.032 -0.505 1
1 831 . 5 1 1 A 77 77 GLY HA2 H 77 3.382 3.852 -0.470 1
1 832 . 5 1 1 A 77 77 GLY HA3 H 77 4.505 3.882 0.623 1
1 833 . 5 1 1 A 77 77 GLY C C 77 172.487 174.528 -2.041 1
1 834 . 5 1 1 A 77 77 GLY CA C 77 44.852 45.999 -1.147 1
1 835 . 5 1 1 A 77 77 GLY N N 77 107.608 106.762 0.846 1
1 836 . 5 1 1 A 78 78 LYS H H 78 8.123 8.599 -0.476 1
1 837 . 5 1 1 A 78 78 LYS HA H 78 4.191 4.505 -0.314 1
1 846 . 5 1 1 A 78 78 LYS C C 78 175.300 177.927 -2.627 1
1 847 . 5 1 1 A 78 78 LYS CA C 78 56.737 57.555 -0.818 1
1 848 . 5 1 1 A 78 78 LYS CB C 78 35.900 35.425 0.475 1
1 852 . 5 1 1 A 78 78 LYS N N 78 117.756 123.838 -6.082 1
1 853 . 5 1 1 A 79 79 ASN H H 79 9.105 8.645 0.460 1
1 854 . 5 1 1 A 79 79 ASN HA H 79 4.099 4.821 -0.722 1
1 859 . 5 1 1 A 79 79 ASN C C 79 175.098 176.270 -1.172 1
1 860 . 5 1 1 A 79 79 ASN CA C 79 54.563 53.871 0.692 1
1 861 . 5 1 1 A 79 79 ASN CB C 79 37.353 40.092 -2.739 1
1 862 . 5 1 1 A 79 79 ASN N N 79 120.643 115.427 5.216 1
1 864 . 5 1 1 A 80 80 GLN H H 80 8.608 8.603 0.005 1
1 865 . 5 1 1 A 80 80 GLN HA H 80 3.648 4.576 -0.928 1
1 870 . 5 1 1 A 80 80 GLN C C 80 175.327 175.426 -0.099 1
1 871 . 5 1 1 A 80 80 GLN CA C 80 57.975 55.215 2.760 1
1 872 . 5 1 1 A 80 80 GLN CB C 80 26.506 29.805 -3.299 1
1 874 . 5 1 1 A 80 80 GLN N N 80 108.385 114.946 -6.561 1
1 875 . 5 1 1 A 81 81 LYS H H 81 7.608 7.729 -0.121 1
1 876 . 5 1 1 A 81 81 LYS HA H 81 4.325 4.490 -0.165 1
1 885 . 5 1 1 A 81 81 LYS C C 81 176.242 176.091 0.151 1
1 886 . 5 1 1 A 81 81 LYS CA C 81 54.186 54.449 -0.263 1
1 887 . 5 1 1 A 81 81 LYS CB C 81 33.385 33.999 -0.614 1
1 891 . 5 1 1 A 81 81 LYS N N 81 119.675 119.846 -0.171 1
1 892 . 5 1 1 A 82 82 SER H H 82 7.692 8.340 -0.648 1
1 893 . 5 1 1 A 82 82 SER HA H 82 3.850 4.417 -0.567 1
1 896 . 5 1 1 A 82 82 SER C C 82 174.045 173.820 0.225 1
1 897 . 5 1 1 A 82 82 SER CA C 82 60.984 58.930 2.054 1
1 898 . 5 1 1 A 82 82 SER CB C 82 62.962 64.553 -1.591 1
1 899 . 5 1 1 A 82 82 SER N N 82 117.008 114.652 2.356 1
1 900 . 5 1 1 A 83 83 PHE H H 83 8.545 7.621 0.924 1
1 901 . 5 1 1 A 83 83 PHE HA H 83 4.921 5.269 -0.348 1
1 908 . 5 1 1 A 83 83 PHE C C 83 172.686 174.679 -1.993 1
1 909 . 5 1 1 A 83 83 PHE CA C 83 55.383 56.789 -1.406 1
1 910 . 5 1 1 A 83 83 PHE CB C 83 37.774 40.849 -3.075 1
1 915 . 5 1 1 A 83 83 PHE N N 83 124.073 116.737 7.336 1
1 916 . 5 1 1 A 84 84 VAL H H 84 8.420 8.708 -0.288 1
1 917 . 5 1 1 A 84 84 VAL HA H 84 5.348 5.149 0.199 1
1 925 . 5 1 1 A 84 84 VAL C C 84 175.816 174.691 1.125 1
1 926 . 5 1 1 A 84 84 VAL CA C 84 60.177 60.954 -0.777 1
1 927 . 5 1 1 A 84 84 VAL CB C 84 37.646 35.888 1.758 1
1 930 . 5 1 1 A 84 84 VAL N N 84 123.085 123.011 0.074 1
1 931 . 5 1 1 A 85 85 PHE H H 85 8.812 9.113 -0.301 1
1 932 . 5 1 1 A 85 85 PHE HA H 85 5.510 5.402 0.108 1
1 940 . 5 1 1 A 85 85 PHE C C 85 171.610 175.324 -3.714 1
1 941 . 5 1 1 A 85 85 PHE CA C 85 55.360 55.796 -0.436 1
1 942 . 5 1 1 A 85 85 PHE CB C 85 41.424 42.535 -1.111 1
1 948 . 5 1 1 A 85 85 PHE N N 85 122.454 125.863 -3.409 1
1 949 . 5 1 1 A 86 86 ILE H H 86 9.406 8.916 0.490 1
1 950 . 5 1 1 A 86 86 ILE HA H 86 4.844 5.134 -0.290 1
1 960 . 5 1 1 A 86 86 ILE C C 86 175.559 174.705 0.854 1
1 961 . 5 1 1 A 86 86 ILE CA C 86 60.323 60.163 0.160 1
1 962 . 5 1 1 A 86 86 ILE CB C 86 42.374 42.682 -0.308 1
1 966 . 5 1 1 A 86 86 ILE N N 86 120.483 120.152 0.331 1
1 967 . 5 1 1 A 87 87 LEU H H 87 9.450 9.344 0.106 1
1 968 . 5 1 1 A 87 87 LEU HA H 87 5.238 5.520 -0.282 1
1 978 . 5 1 1 A 87 87 LEU C C 87 175.145 175.960 -0.815 1
1 979 . 5 1 1 A 87 87 LEU CA C 87 52.778 53.374 -0.596 1
1 980 . 5 1 1 A 87 87 LEU CB C 87 40.657 43.813 -3.156 1
1 984 . 5 1 1 A 87 87 LEU N N 87 126.149 127.264 -1.115 1
1 985 . 5 1 1 A 88 88 GLU H H 88 9.120 9.087 0.033 1
1 986 . 5 1 1 A 88 88 GLU HA H 88 4.986 4.947 0.039 1
1 991 . 5 1 1 A 88 88 GLU CA C 88 52.677 52.868 -0.191 1
1 992 . 5 1 1 A 88 88 GLU CB C 88 31.511 30.746 0.765 1
1 994 . 5 1 1 A 88 88 GLU N N 88 126.028 123.933 2.095 1
1 995 . 5 1 1 A 89 89 PRO HA H 89 4.239 4.029 0.210 1
1 1002 . 5 1 1 A 89 89 PRO C C 89 177.398 176.878 0.520 1
1 1003 . 5 1 1 A 89 89 PRO CA C 89 63.214 62.499 0.715 1
1 1004 . 5 1 1 A 89 89 PRO CB C 89 32.855 32.331 0.524 1
1 1007 . 5 1 1 A 90 90 LYS H H 90 8.166 8.713 -0.547 1
1 1008 . 5 1 1 A 90 90 LYS HA H 90 4.041 4.512 -0.471 1
1 1017 . 5 1 1 A 90 90 LYS C C 90 177.384 176.727 0.657 1
1 1018 . 5 1 1 A 90 90 LYS CA C 90 58.404 56.124 2.280 1
1 1019 . 5 1 1 A 90 90 LYS CB C 90 33.133 33.050 0.083 1
1 1023 . 5 1 1 A 90 90 LYS N N 90 121.350 120.795 0.555 1
1 1024 . 5 1 1 A 91 91 GLN H H 91 8.252 7.733 0.519 1
1 1025 . 5 1 1 A 91 91 GLN HA H 91 4.423 4.035 0.388 1
1 1032 . 5 1 1 A 91 91 GLN C C 91 175.039 177.142 -2.103 1
1 1033 . 5 1 1 A 91 91 GLN CA C 91 54.303 58.629 -4.326 1
1 1034 . 5 1 1 A 91 91 GLN CB C 91 29.208 29.422 -0.214 1
1 1036 . 5 1 1 A 91 91 GLN N N 91 118.759 121.141 -2.382 1
1 1038 . 5 1 1 A 92 92 GLN H H 92 8.460 7.803 0.657 1
1 1039 . 5 1 1 A 92 92 GLN HA H 92 4.057 4.536 -0.479 1
1 1044 . 5 1 1 A 92 92 GLN C C 92 177.080 176.582 0.498 1
1 1045 . 5 1 1 A 92 92 GLN CA C 92 57.446 57.150 0.296 1
1 1046 . 5 1 1 A 92 92 GLN CB C 92 28.472 30.497 -2.025 1
1 1048 . 5 1 1 A 92 92 GLN N N 92 124.928 116.693 8.235 1
1 1049 . 5 1 1 A 93 93 GLY H H 93 8.870 7.912 0.958 1
1 1050 . 5 1 1 A 93 93 GLY HA2 H 93 3.639 4.068 -0.429 1
1 1051 . 5 1 1 A 93 93 GLY HA3 H 93 4.338 4.074 0.264 1
1 1052 . 5 1 1 A 93 93 GLY C C 93 174.298 174.009 0.289 1
1 1053 . 5 1 1 A 93 93 GLY CA C 93 45.336 45.543 -0.207 1
1 1054 . 5 1 1 A 93 93 GLY N N 93 113.393 106.594 6.799 1
1 1055 . 5 1 1 A 94 94 ASP H H 94 7.546 7.502 0.044 1
1 1056 . 5 1 1 A 94 94 ASP HA H 94 5.056 4.780 0.276 1
1 1059 . 5 1 1 A 94 94 ASP CA C 94 52.662 52.726 -0.064 1
1 1060 . 5 1 1 A 94 94 ASP CB C 94 40.179 39.650 0.529 1
1 1061 . 5 1 1 A 94 94 ASP N N 94 123.111 120.319 2.792 1
1 1062 . 5 1 1 A 95 95 PRO HA H 95 4.933 4.776 0.157 1
1 1069 . 5 1 1 A 95 95 PRO CA C 95 61.243 61.474 -0.231 1
1 1070 . 5 1 1 A 95 95 PRO CB C 95 31.234 31.918 -0.684 1
1 1073 . 5 1 1 A 96 96 PRO HA H 96 5.190 5.077 0.113 1
1 1080 . 5 1 1 A 96 96 PRO C C 96 176.664 175.544 1.120 1
1 1081 . 5 1 1 A 96 96 PRO CA C 96 62.399 62.469 -0.070 1
1 1082 . 5 1 1 A 96 96 PRO CB C 96 32.850 33.041 -0.191 1
1 1085 . 5 1 1 A 97 97 VAL H H 97 8.448 8.288 0.160 1
1 1086 . 5 1 1 A 97 97 VAL HA H 97 4.145 4.696 -0.551 1
1 1094 . 5 1 1 A 97 97 VAL C C 97 174.020 175.087 -1.067 1
1 1095 . 5 1 1 A 97 97 VAL CA C 97 61.710 60.744 0.966 1
1 1096 . 5 1 1 A 97 97 VAL CB C 97 33.977 35.261 -1.284 1
1 1099 . 5 1 1 A 97 97 VAL N N 97 121.904 119.918 1.986 1
1 1100 . 5 1 1 A 98 98 GLU H H 98 8.599 8.669 -0.070 1
1 1101 . 5 1 1 A 98 98 GLU HA H 98 4.778 5.333 -0.555 1
1 1106 . 5 1 1 A 98 98 GLU C C 98 173.807 175.948 -2.141 1
1 1107 . 5 1 1 A 98 98 GLU CA C 98 55.674 55.216 0.458 1
1 1108 . 5 1 1 A 98 98 GLU CB C 98 30.827 32.176 -1.349 1
1 1110 . 5 1 1 A 98 98 GLU N N 98 126.577 126.962 -0.385 1
1 1111 . 5 1 1 A 99 99 PHE H H 99 8.701 9.358 -0.657 1
1 1112 . 5 1 1 A 99 99 PHE HA H 99 5.773 5.947 -0.174 1
1 1120 . 5 1 1 A 99 99 PHE C C 99 174.648 174.966 -0.318 1
1 1121 . 5 1 1 A 99 99 PHE CA C 99 55.799 57.030 -1.231 1
1 1122 . 5 1 1 A 99 99 PHE CB C 99 44.025 44.405 -0.380 1
1 1128 . 5 1 1 A 99 99 PHE N N 99 120.755 121.255 -0.500 1
1 1129 . 5 1 1 A 100 100 ALA H H 100 8.737 8.939 -0.202 1
1 1130 . 5 1 1 A 100 100 ALA HA H 100 5.669 5.320 0.349 1
1 1134 . 5 1 1 A 100 100 ALA C C 100 176.491 176.528 -0.037 1
1 1135 . 5 1 1 A 100 100 ALA CA C 100 49.850 51.646 -1.796 1
1 1136 . 5 1 1 A 100 100 ALA CB C 100 23.399 23.505 -0.106 1
1 1137 . 5 1 1 A 100 100 ALA N N 100 118.211 121.946 -3.735 1
1 1138 . 5 1 1 A 101 101 THR H H 101 8.272 8.589 -0.317 1
1 1139 . 5 1 1 A 101 101 THR HA H 101 5.232 5.085 0.147 1
1 1144 . 5 1 1 A 101 101 THR C C 101 174.787 173.590 1.197 1
1 1145 . 5 1 1 A 101 101 THR CA C 101 59.068 60.228 -1.160 1
1 1146 . 5 1 1 A 101 101 THR CB C 101 70.089 72.482 -2.393 1
1 1148 . 5 1 1 A 101 101 THR N N 101 108.062 109.712 -1.650 1
1 1149 . 5 1 1 A 102 102 ASP H H 102 8.625 8.657 -0.032 1
1 1150 . 5 1 1 A 102 102 ASP HA H 102 5.009 4.937 0.072 1
1 1153 . 5 1 1 A 102 102 ASP C C 102 177.730 175.017 2.713 1
1 1154 . 5 1 1 A 102 102 ASP CA C 102 56.976 53.858 3.118 1
1 1155 . 5 1 1 A 102 102 ASP CB C 102 42.543 42.567 -0.024 1
1 1156 . 5 1 1 A 102 102 ASP N N 102 118.482 118.219 0.263 1
1 1157 . 5 1 1 A 103 103 ARG H H 103 8.208 7.489 0.719 1
1 1158 . 5 1 1 A 103 103 ARG HA H 103 4.772 4.892 -0.120 1
1 1165 . 5 1 1 A 103 103 ARG C C 103 178.000 176.225 1.775 1
1 1166 . 5 1 1 A 103 103 ARG CA C 103 54.079 54.103 -0.024 1
1 1167 . 5 1 1 A 103 103 ARG CB C 103 33.914 34.344 -0.430 1
1 1170 . 5 1 1 A 103 103 ARG N N 103 116.043 117.835 -1.792 1
1 1171 . 5 1 1 A 104 104 VAL H H 104 8.516 8.803 -0.287 1
1 1172 . 5 1 1 A 104 104 VAL HA H 104 2.857 3.739 -0.882 1
1 1180 . 5 1 1 A 104 104 VAL C C 104 176.158 177.514 -1.356 1
1 1181 . 5 1 1 A 104 104 VAL CA C 104 64.625 64.984 -0.359 1
1 1182 . 5 1 1 A 104 104 VAL CB C 104 30.883 31.581 -0.698 1
1 1185 . 5 1 1 A 104 104 VAL N N 104 128.496 122.023 6.473 1
1 1186 . 5 1 1 A 105 105 GLU H H 105 9.414 8.188 1.226 1
1 1187 . 5 1 1 A 105 105 GLU HA H 105 3.989 4.093 -0.104 1
1 1192 . 5 1 1 A 105 105 GLU C C 105 179.982 179.128 0.854 1
1 1193 . 5 1 1 A 105 105 GLU CA C 105 60.599 59.611 0.988 1
1 1194 . 5 1 1 A 105 105 GLU CB C 105 27.973 29.443 -1.470 1
1 1196 . 5 1 1 A 105 105 GLU N N 105 121.934 121.863 0.071 1
1 1197 . 5 1 1 A 106 106 GLU H H 106 6.769 8.320 -1.551 1
1 1198 . 5 1 1 A 106 106 GLU HA H 106 4.370 4.083 0.287 1
1 1203 . 5 1 1 A 106 106 GLU C C 106 178.312 179.258 -0.946 1
1 1204 . 5 1 1 A 106 106 GLU CA C 106 58.503 59.307 -0.804 1
1 1205 . 5 1 1 A 106 106 GLU CB C 106 30.657 29.184 1.473 1
1 1207 . 5 1 1 A 106 106 GLU N N 106 116.721 120.754 -4.033 1
1 1208 . 5 1 1 A 107 107 LEU H H 107 7.161 7.706 -0.545 1
1 1209 . 5 1 1 A 107 107 LEU HA H 107 4.040 4.177 -0.137 1
1 1219 . 5 1 1 A 107 107 LEU C C 107 177.985 178.388 -0.403 1
1 1220 . 5 1 1 A 107 107 LEU CA C 107 58.930 58.327 0.603 1
1 1221 . 5 1 1 A 107 107 LEU CB C 107 40.058 42.083 -2.025 1
1 1225 . 5 1 1 A 107 107 LEU N N 107 122.171 122.052 0.119 1
1 1226 . 5 1 1 A 108 108 PHE H H 108 7.986 8.370 -0.384 1
1 1227 . 5 1 1 A 108 108 PHE HA H 108 4.199 4.099 0.100 1
1 1234 . 5 1 1 A 108 108 PHE C C 108 178.069 178.046 0.023 1
1 1235 . 5 1 1 A 108 108 PHE CA C 108 61.167 61.247 -0.080 1
1 1236 . 5 1 1 A 108 108 PHE CB C 108 38.208 38.199 0.009 1
1 1241 . 5 1 1 A 108 108 PHE N N 108 116.696 118.353 -1.657 1
1 1242 . 5 1 1 A 109 109 GLU H H 109 7.719 8.586 -0.867 1
1 1243 . 5 1 1 A 109 109 GLU HA H 109 3.951 4.048 -0.097 1
1 1248 . 5 1 1 A 109 109 GLU C C 109 179.858 178.999 0.859 1
1 1249 . 5 1 1 A 109 109 GLU CA C 109 59.664 59.127 0.537 1
1 1250 . 5 1 1 A 109 109 GLU CB C 109 29.923 29.403 0.520 1
1 1252 . 5 1 1 A 109 109 GLU N N 109 119.214 120.736 -1.522 1
1 1253 . 5 1 1 A 110 110 TRP H H 110 8.445 8.065 0.380 1
1 1254 . 5 1 1 A 110 110 TRP HA H 110 3.634 4.249 -0.615 1
1 1263 . 5 1 1 A 110 110 TRP C C 110 177.691 178.898 -1.207 1
1 1264 . 5 1 1 A 110 110 TRP CA C 110 62.078 60.247 1.831 1
1 1265 . 5 1 1 A 110 110 TRP CB C 110 29.275 28.864 0.411 1
1 1271 . 5 1 1 A 110 110 TRP N N 110 120.045 120.758 -0.713 1
1 1273 . 5 1 1 A 111 111 PHE H H 111 8.668 7.878 0.790 1
1 1274 . 5 1 1 A 111 111 PHE HA H 111 3.436 3.995 -0.559 1
1 1282 . 5 1 1 A 111 111 PHE C C 111 176.547 177.736 -1.189 1
1 1283 . 5 1 1 A 111 111 PHE CA C 111 62.182 61.233 0.949 1
1 1284 . 5 1 1 A 111 111 PHE CB C 111 39.904 37.170 2.734 1
1 1290 . 5 1 1 A 111 111 PHE N N 111 117.907 117.576 0.331 1
1 1291 . 5 1 1 A 112 112 GLN H H 112 8.254 8.081 0.173 1
1 1292 . 5 1 1 A 112 112 GLN HA H 112 3.685 3.959 -0.274 1
1 1299 . 5 1 1 A 112 112 GLN C C 112 178.503 178.079 0.424 1
1 1300 . 5 1 1 A 112 112 GLN CA C 112 58.624 58.754 -0.130 1
1 1301 . 5 1 1 A 112 112 GLN CB C 112 27.980 28.608 -0.628 1
1 1303 . 5 1 1 A 112 112 GLN N N 112 116.394 121.232 -4.838 1
1 1305 . 5 1 1 A 113 113 SER H H 113 7.741 7.364 0.377 1
1 1306 . 5 1 1 A 113 113 SER HA H 113 4.036 4.518 -0.482 1
1 1309 . 5 1 1 A 113 113 SER C C 113 176.428 177.465 -1.037 1
1 1310 . 5 1 1 A 113 113 SER CA C 113 62.062 61.491 0.571 1
1 1311 . 5 1 1 A 113 113 SER CB C 113 62.655 63.013 -0.358 1
1 1312 . 5 1 1 A 113 113 SER N N 113 114.734 114.561 0.173 1
1 1313 . 5 1 1 A 114 114 ILE H H 114 7.915 7.782 0.133 1
1 1314 . 5 1 1 A 114 114 ILE HA H 114 3.559 3.670 -0.111 1
1 1324 . 5 1 1 A 114 114 ILE C C 114 178.594 178.484 0.110 1
1 1325 . 5 1 1 A 114 114 ILE CA C 114 65.364 65.159 0.205 1
1 1326 . 5 1 1 A 114 114 ILE CB C 114 38.395 37.483 0.912 1
1 1330 . 5 1 1 A 114 114 ILE N N 114 119.893 121.215 -1.322 1
1 1331 . 5 1 1 A 115 115 ARG H H 115 8.581 7.897 0.684 1
1 1332 . 5 1 1 A 115 115 ARG HA H 115 3.881 4.218 -0.337 1
1 1339 . 5 1 1 A 115 115 ARG C C 115 177.921 179.310 -1.389 1
1 1340 . 5 1 1 A 115 115 ARG CA C 115 58.689 59.344 -0.655 1
1 1341 . 5 1 1 A 115 115 ARG CB C 115 29.134 29.716 -0.582 1
1 1344 . 5 1 1 A 115 115 ARG N N 115 123.090 121.037 2.053 1
1 1345 . 5 1 1 A 116 116 GLU H H 116 7.653 8.009 -0.356 1
1 1346 . 5 1 1 A 116 116 GLU HA H 116 3.959 4.117 -0.158 1
1 1351 . 5 1 1 A 116 116 GLU C C 116 178.178 177.940 0.238 1
1 1352 . 5 1 1 A 116 116 GLU CA C 116 58.767 59.032 -0.265 1
1 1353 . 5 1 1 A 116 116 GLU CB C 116 29.501 29.481 0.020 1
1 1355 . 5 1 1 A 116 116 GLU N N 116 116.356 119.270 -2.914 1
1 1356 . 5 1 1 A 117 117 ILE H H 117 7.334 7.634 -0.300 1
1 1357 . 5 1 1 A 117 117 ILE HA H 117 3.909 3.987 -0.078 1
1 1367 . 5 1 1 A 117 117 ILE C C 117 177.733 177.937 -0.204 1
1 1368 . 5 1 1 A 117 117 ILE CA C 117 63.443 63.259 0.184 1
1 1369 . 5 1 1 A 117 117 ILE CB C 117 39.059 38.553 0.506 1
1 1373 . 5 1 1 A 117 117 ILE N N 117 117.514 119.786 -2.272 1
1 1374 . 5 1 1 A 118 118 THR H H 118 8.075 7.440 0.635 1
1 1375 . 5 1 1 A 118 118 THR HA H 118 4.367 4.354 0.013 1
1 1380 . 5 1 1 A 118 118 THR C C 118 176.050 176.154 -0.104 1
1 1381 . 5 1 1 A 118 118 THR CA C 118 63.494 64.606 -1.112 1
1 1382 . 5 1 1 A 118 118 THR CB C 118 70.326 69.529 0.797 1
1 1384 . 5 1 1 A 118 118 THR N N 118 109.879 112.057 -2.178 1
1 1385 . 5 1 1 A 119 119 TRP H H 119 8.283 8.293 -0.010 1
1 1386 . 5 1 1 A 119 119 TRP HA H 119 4.792 4.248 0.544 1
1 1395 . 5 1 1 A 119 119 TRP C C 119 175.855 175.352 0.503 1
1 1396 . 5 1 1 A 119 119 TRP CA C 119 57.464 60.336 -2.872 1
1 1397 . 5 1 1 A 119 119 TRP CB C 119 29.488 29.901 -0.413 1
1 1403 . 5 1 1 A 119 119 TRP N N 119 124.034 123.937 0.097 1
1 1405 . 5 1 1 A 120 120 LYS H H 120 7.723 7.862 -0.139 1
1 1406 . 5 1 1 A 120 120 LYS HA H 120 4.198 4.649 -0.451 1
1 1415 . 5 1 1 A 120 120 LYS C C 120 176.162 175.040 1.122 1
1 1416 . 5 1 1 A 120 120 LYS CA C 120 56.049 54.911 1.138 1
1 1417 . 5 1 1 A 120 120 LYS CB C 120 32.924 35.403 -2.479 1
1 1421 . 5 1 1 A 120 120 LYS N N 120 123.166 116.777 6.389 1
1 1422 . 5 1 1 A 121 121 ILE H H 121 7.874 8.899 -1.025 1
1 1423 . 5 1 1 A 121 121 ILE HA H 121 4.035 4.672 -0.637 1
1 1433 . 5 1 1 A 121 121 ILE C C 121 175.950 174.704 1.246 1
1 1434 . 5 1 1 A 121 121 ILE CA C 121 61.120 60.523 0.597 1
1 1435 . 5 1 1 A 121 121 ILE CB C 121 38.708 39.377 -0.669 1
1 1439 . 5 1 1 A 121 121 ILE N N 121 121.301 124.719 -3.418 1
1 1440 . 5 1 1 A 122 122 ASP H H 122 8.317 8.938 -0.621 1
1 1441 . 5 1 1 A 122 122 ASP HA H 122 4.677 5.110 -0.433 1
1 1444 . 5 1 1 A 122 122 ASP C C 122 176.278 175.998 0.280 1
1 1445 . 5 1 1 A 122 122 ASP CA C 122 54.157 52.663 1.494 1
1 1446 . 5 1 1 A 122 122 ASP CB C 122 41.316 43.046 -1.730 1
1 1447 . 5 1 1 A 122 122 ASP N N 122 124.058 128.353 -4.295 1
1 1448 . 5 1 1 A 123 123 THR H H 123 8.003 8.868 -0.865 1
1 1449 . 5 1 1 A 123 123 THR HA H 123 4.307 4.541 -0.234 1
1 1454 . 5 1 1 A 123 123 THR C C 123 173.831 173.820 0.011 1
1 1455 . 5 1 1 A 123 123 THR CA C 123 61.715 62.661 -0.946 1
1 1456 . 5 1 1 A 123 123 THR CB C 123 69.736 72.243 -2.507 1
1 1458 . 5 1 1 A 123 123 THR N N 123 114.853 116.374 -1.521 1
1 2 . 6 1 1 A 9 9 LYS H H 9 8.338 8.622 -0.284 1
1 3 . 6 1 1 A 9 9 LYS C C 9 176.402 175.709 0.693 1
1 4 . 6 1 1 A 9 9 LYS N N 9 122.857 121.865 0.992 1
1 5 . 6 1 1 A 10 10 ASP H H 10 8.335 8.812 -0.477 1
1 6 . 6 1 1 A 10 10 ASP HA H 10 4.562 5.053 -0.491 1
1 9 . 6 1 1 A 10 10 ASP C C 10 176.123 176.706 -0.583 1
1 10 . 6 1 1 A 10 10 ASP CA C 10 54.344 53.590 0.754 1
1 11 . 6 1 1 A 10 10 ASP CB C 10 41.227 41.506 -0.279 1
1 12 . 6 1 1 A 10 10 ASP N N 10 121.507 121.062 0.445 1
1 13 . 6 1 1 A 11 11 GLU H H 11 8.231 8.584 -0.353 1
1 14 . 6 1 1 A 11 11 GLU HA H 11 4.222 4.664 -0.442 1
1 19 . 6 1 1 A 11 11 GLU CA C 11 56.356 55.577 0.779 1
1 20 . 6 1 1 A 11 11 GLU CB C 11 30.439 30.466 -0.027 1
1 22 . 6 1 1 A 11 11 GLU N N 11 121.321 117.831 3.490 1
1 23 . 6 1 1 A 12 12 HIS H H 12 8.431 8.450 -0.019 1
1 24 . 6 1 1 A 12 12 HIS HA H 12 4.618 4.339 0.279 1
1 28 . 6 1 1 A 12 12 HIS C C 12 174.980 175.551 -0.571 1
1 29 . 6 1 1 A 12 12 HIS CA C 12 55.952 58.447 -2.495 1
1 30 . 6 1 1 A 12 12 HIS CB C 12 30.058 29.897 0.161 1
1 32 . 6 1 1 A 12 12 HIS N N 12 120.447 117.557 2.890 1
1 33 . 6 1 1 A 13 13 LYS H H 13 8.191 7.661 0.530 1
1 34 . 6 1 1 A 13 13 LYS HA H 13 4.355 4.536 -0.181 1
1 43 . 6 1 1 A 13 13 LYS C C 13 175.327 174.585 0.742 1
1 44 . 6 1 1 A 13 13 LYS CA C 13 55.620 54.962 0.658 1
1 45 . 6 1 1 A 13 13 LYS CB C 13 33.729 35.784 -2.055 1
1 49 . 6 1 1 A 13 13 LYS N N 13 124.365 112.408 11.957 1
1 50 . 6 1 1 A 14 14 GLN H H 14 8.229 8.387 -0.158 1
1 51 . 6 1 1 A 14 14 GLN HA H 14 4.037 4.414 -0.377 1
1 58 . 6 1 1 A 14 14 GLN C C 14 173.432 175.841 -2.409 1
1 59 . 6 1 1 A 14 14 GLN CA C 14 54.613 55.478 -0.865 1
1 60 . 6 1 1 A 14 14 GLN CB C 14 29.096 28.671 0.425 1
1 62 . 6 1 1 A 14 14 GLN N N 14 123.823 121.926 1.897 1
1 64 . 6 1 1 A 15 15 GLN H H 15 7.896 8.334 -0.438 1
1 65 . 6 1 1 A 15 15 GLN HA H 15 5.459 5.236 0.223 1
1 70 . 6 1 1 A 15 15 GLN C C 15 174.263 175.232 -0.969 1
1 71 . 6 1 1 A 15 15 GLN CA C 15 54.506 54.529 -0.023 1
1 72 . 6 1 1 A 15 15 GLN CB C 15 31.418 32.740 -1.322 1
1 74 . 6 1 1 A 15 15 GLN N N 15 121.452 122.130 -0.678 1
1 75 . 6 1 1 A 16 16 GLY H H 16 8.795 8.527 0.268 1
1 76 . 6 1 1 A 16 16 GLY HA2 H 16 4.056 4.278 -0.222 1
1 77 . 6 1 1 A 16 16 GLY HA3 H 16 4.801 4.509 0.292 1
1 78 . 6 1 1 A 16 16 GLY C C 16 171.456 171.536 -0.080 1
1 79 . 6 1 1 A 16 16 GLY CA C 16 44.773 46.306 -1.533 1
1 80 . 6 1 1 A 16 16 GLY N N 16 107.937 110.030 -2.093 1
1 81 . 6 1 1 A 17 17 GLU H H 17 8.718 8.605 0.113 1
1 82 . 6 1 1 A 17 17 GLU HA H 17 5.220 5.281 -0.061 1
1 87 . 6 1 1 A 17 17 GLU C C 17 176.562 175.027 1.535 1
1 88 . 6 1 1 A 17 17 GLU CA C 17 55.880 54.608 1.272 1
1 89 . 6 1 1 A 17 17 GLU CB C 17 30.995 33.965 -2.970 1
1 91 . 6 1 1 A 17 17 GLU N N 17 119.686 121.550 -1.864 1
1 92 . 6 1 1 A 18 18 LEU H H 18 8.806 8.587 0.219 1
1 93 . 6 1 1 A 18 18 LEU HA H 18 4.652 4.725 -0.073 1
1 103 . 6 1 1 A 18 18 LEU C C 18 176.851 174.858 1.993 1
1 104 . 6 1 1 A 18 18 LEU CA C 18 53.786 53.275 0.511 1
1 105 . 6 1 1 A 18 18 LEU CB C 18 47.961 45.821 2.140 1
1 109 . 6 1 1 A 18 18 LEU N N 18 122.158 122.484 -0.326 1
1 110 . 6 1 1 A 19 19 TYR H H 19 8.833 8.146 0.687 1
1 111 . 6 1 1 A 19 19 TYR HA H 19 5.837 5.665 0.172 1
1 118 . 6 1 1 A 19 19 TYR C C 19 176.038 175.497 0.541 1
1 119 . 6 1 1 A 19 19 TYR CA C 19 56.750 56.696 0.054 1
1 120 . 6 1 1 A 19 19 TYR CB C 19 40.531 41.770 -1.239 1
1 125 . 6 1 1 A 19 19 TYR N N 19 117.278 119.152 -1.874 1
1 126 . 6 1 1 A 20 20 MET H H 20 9.743 9.280 0.463 1
1 127 . 6 1 1 A 20 20 MET HA H 20 5.207 5.170 0.037 1
1 135 . 6 1 1 A 20 20 MET C C 20 175.349 175.115 0.234 1
1 136 . 6 1 1 A 20 20 MET CA C 20 54.611 54.350 0.261 1
1 137 . 6 1 1 A 20 20 MET CB C 20 37.352 36.225 1.127 1
1 140 . 6 1 1 A 20 20 MET N N 20 120.128 120.652 -0.524 1
1 141 . 6 1 1 A 21 21 TRP H H 21 8.142 8.270 -0.128 1
1 142 . 6 1 1 A 21 21 TRP HA H 21 4.084 3.649 0.435 1
1 150 . 6 1 1 A 21 21 TRP C C 21 174.752 174.682 0.070 1
1 151 . 6 1 1 A 21 21 TRP CA C 21 56.246 57.830 -1.584 1
1 152 . 6 1 1 A 21 21 TRP CB C 21 29.682 29.742 -0.060 1
1 157 . 6 1 1 A 21 21 TRP N N 21 126.799 125.476 1.323 1
1 159 . 6 1 1 A 22 22 ASP H H 22 8.034 8.015 0.019 1
1 160 . 6 1 1 A 22 22 ASP HA H 22 4.417 4.507 -0.090 1
1 163 . 6 1 1 A 22 22 ASP C C 22 175.814 175.394 0.420 1
1 164 . 6 1 1 A 22 22 ASP CA C 22 52.020 53.162 -1.142 1
1 165 . 6 1 1 A 22 22 ASP CB C 22 41.748 41.108 0.640 1
1 166 . 6 1 1 A 22 22 ASP N N 22 129.313 126.572 2.741 1
1 167 . 6 1 1 A 23 23 SER H H 23 8.331 8.423 -0.092 1
1 168 . 6 1 1 A 23 23 SER HA H 23 3.719 4.006 -0.287 1
1 171 . 6 1 1 A 23 23 SER C C 23 175.145 174.745 0.400 1
1 172 . 6 1 1 A 23 23 SER CA C 23 59.732 58.407 1.325 1
1 173 . 6 1 1 A 23 23 SER CB C 23 63.304 63.331 -0.027 1
1 174 . 6 1 1 A 23 23 SER N N 23 119.796 119.810 -0.014 1
1 175 . 6 1 1 A 24 24 ILE H H 24 8.044 7.326 0.718 1
1 176 . 6 1 1 A 24 24 ILE HA H 24 3.849 3.937 -0.088 1
1 186 . 6 1 1 A 24 24 ILE C C 24 177.615 176.920 0.695 1
1 187 . 6 1 1 A 24 24 ILE CA C 24 63.257 63.077 0.180 1
1 188 . 6 1 1 A 24 24 ILE CB C 24 36.400 39.240 -2.840 1
1 192 . 6 1 1 A 24 24 ILE N N 24 124.085 119.392 4.693 1
1 193 . 6 1 1 A 25 25 ASP H H 25 7.641 7.703 -0.062 1
1 194 . 6 1 1 A 25 25 ASP HA H 25 4.492 4.644 -0.152 1
1 197 . 6 1 1 A 25 25 ASP C C 25 175.486 175.071 0.415 1
1 198 . 6 1 1 A 25 25 ASP CA C 25 54.313 53.647 0.666 1
1 199 . 6 1 1 A 25 25 ASP CB C 25 40.789 41.229 -0.440 1
1 200 . 6 1 1 A 25 25 ASP N N 25 118.371 118.568 -0.197 1
1 201 . 6 1 1 A 26 26 GLN H H 26 7.340 7.305 0.035 1
1 202 . 6 1 1 A 26 26 GLN HA H 26 2.828 3.497 -0.669 1
1 209 . 6 1 1 A 26 26 GLN C C 26 173.882 174.538 -0.656 1
1 210 . 6 1 1 A 26 26 GLN CA C 26 55.956 56.787 -0.831 1
1 211 . 6 1 1 A 26 26 GLN CB C 26 25.070 26.630 -1.560 1
1 213 . 6 1 1 A 26 26 GLN N N 26 116.358 115.908 0.450 1
1 215 . 6 1 1 A 27 27 LYS H H 27 6.283 6.531 -0.248 1
1 216 . 6 1 1 A 27 27 LYS HA H 27 4.395 4.839 -0.444 1
1 225 . 6 1 1 A 27 27 LYS C C 27 173.510 174.195 -0.685 1
1 226 . 6 1 1 A 27 27 LYS CA C 27 54.164 55.114 -0.950 1
1 227 . 6 1 1 A 27 27 LYS CB C 27 35.825 34.105 1.720 1
1 231 . 6 1 1 A 27 27 LYS N N 27 114.611 113.584 1.027 1
1 232 . 6 1 1 A 28 28 TRP H H 28 8.751 8.801 -0.050 1
1 233 . 6 1 1 A 28 28 TRP HA H 28 5.383 5.706 -0.323 1
1 242 . 6 1 1 A 28 28 TRP C C 28 177.411 176.396 1.015 1
1 243 . 6 1 1 A 28 28 TRP CA C 28 55.957 55.698 0.259 1
1 244 . 6 1 1 A 28 28 TRP CB C 28 30.752 31.775 -1.023 1
1 250 . 6 1 1 A 28 28 TRP N N 28 121.520 119.037 2.483 1
1 252 . 6 1 1 A 29 29 THR H H 29 9.413 9.130 0.283 1
1 253 . 6 1 1 A 29 29 THR HA H 29 4.852 5.006 -0.154 1
1 258 . 6 1 1 A 29 29 THR C C 29 173.520 172.367 1.153 1
1 259 . 6 1 1 A 29 29 THR CA C 29 60.308 59.486 0.822 1
1 260 . 6 1 1 A 29 29 THR CB C 29 69.736 71.725 -1.989 1
1 262 . 6 1 1 A 29 29 THR N N 29 117.059 113.331 3.728 1
1 263 . 6 1 1 A 30 30 ARG H H 30 9.117 8.464 0.653 1
1 264 . 6 1 1 A 30 30 ARG HA H 30 4.790 4.182 0.608 1
1 272 . 6 1 1 A 30 30 ARG C C 30 174.447 174.810 -0.363 1
1 273 . 6 1 1 A 30 30 ARG CA C 30 55.949 54.762 1.187 1
1 274 . 6 1 1 A 30 30 ARG CB C 30 33.388 31.189 2.199 1
1 277 . 6 1 1 A 30 30 ARG N N 30 126.027 121.735 4.292 1
1 278 . 6 1 1 A 31 31 HIS H H 31 9.011 8.623 0.388 1
1 279 . 6 1 1 A 31 31 HIS HA H 31 4.636 4.967 -0.331 1
1 282 . 6 1 1 A 31 31 HIS C C 31 173.947 173.593 0.354 1
1 283 . 6 1 1 A 31 31 HIS CA C 31 55.185 53.999 1.186 1
1 284 . 6 1 1 A 31 31 HIS CB C 31 33.332 33.221 0.111 1
1 285 . 6 1 1 A 31 31 HIS N N 31 121.017 124.523 -3.506 1
1 286 . 6 1 1 A 32 32 TYR H H 32 9.361 9.057 0.304 1
1 287 . 6 1 1 A 32 32 TYR HA H 32 4.745 4.807 -0.062 1
1 294 . 6 1 1 A 32 32 TYR C C 32 176.298 174.454 1.844 1
1 295 . 6 1 1 A 32 32 TYR CA C 32 59.316 56.707 2.609 1
1 296 . 6 1 1 A 32 32 TYR CB C 32 39.341 39.044 0.297 1
1 301 . 6 1 1 A 32 32 TYR N N 32 124.440 124.469 -0.029 1
1 302 . 6 1 1 A 33 33 CYS H H 33 8.750 8.605 0.145 1
1 303 . 6 1 1 A 33 33 CYS HA H 33 5.857 5.277 0.580 1
1 306 . 6 1 1 A 33 33 CYS C C 33 172.735 173.960 -1.225 1
1 307 . 6 1 1 A 33 33 CYS CA C 33 57.108 57.525 -0.417 1
1 308 . 6 1 1 A 33 33 CYS CB C 33 32.779 29.759 3.020 1
1 309 . 6 1 1 A 33 33 CYS N N 33 127.462 126.892 0.570 1
1 310 . 6 1 1 A 34 34 ALA H H 34 8.565 9.021 -0.456 1
1 311 . 6 1 1 A 34 34 ALA HA H 34 5.290 4.944 0.346 1
1 315 . 6 1 1 A 34 34 ALA C C 34 176.215 175.659 0.556 1
1 316 . 6 1 1 A 34 34 ALA CA C 34 51.773 51.947 -0.174 1
1 317 . 6 1 1 A 34 34 ALA CB C 34 23.139 21.157 1.982 1
1 318 . 6 1 1 A 34 34 ALA N N 34 121.115 122.635 -1.520 1
1 319 . 6 1 1 A 35 35 ILE H H 35 8.413 9.305 -0.892 1
1 320 . 6 1 1 A 35 35 ILE HA H 35 5.275 4.809 0.466 1
1 330 . 6 1 1 A 35 35 ILE C C 35 175.768 175.068 0.700 1
1 331 . 6 1 1 A 35 35 ILE CA C 35 60.105 60.697 -0.592 1
1 332 . 6 1 1 A 35 35 ILE CB C 35 39.737 37.604 2.133 1
1 336 . 6 1 1 A 35 35 ILE N N 35 120.176 123.666 -3.490 1
1 337 . 6 1 1 A 36 36 ALA H H 36 8.666 8.571 0.095 1
1 338 . 6 1 1 A 36 36 ALA HA H 36 4.581 4.709 -0.128 1
1 342 . 6 1 1 A 36 36 ALA CA C 36 52.028 51.141 0.887 1
1 343 . 6 1 1 A 36 36 ALA CB C 36 21.365 20.598 0.767 1
1 344 . 6 1 1 A 36 36 ALA N N 36 129.732 131.957 -2.225 1
1 345 . 6 1 1 A 37 37 ASP H H 37 9.379 9.058 0.321 1
1 346 . 6 1 1 A 37 37 ASP HA H 37 4.228 4.440 -0.212 1
1 349 . 6 1 1 A 37 37 ASP C C 37 174.579 175.635 -1.056 1
1 350 . 6 1 1 A 37 37 ASP CA C 37 55.822 56.833 -1.011 1
1 351 . 6 1 1 A 37 37 ASP CB C 37 39.784 40.354 -0.570 1
1 352 . 6 1 1 A 37 37 ASP N N 37 124.926 122.626 2.300 1
1 353 . 6 1 1 A 38 38 ALA H H 38 8.710 8.281 0.429 1
1 354 . 6 1 1 A 38 38 ALA HA H 38 3.911 4.511 -0.600 1
1 358 . 6 1 1 A 38 38 ALA C C 38 174.866 176.767 -1.901 1
1 359 . 6 1 1 A 38 38 ALA CA C 38 53.040 51.643 1.397 1
1 360 . 6 1 1 A 38 38 ALA CB C 38 17.654 20.840 -3.186 1
1 361 . 6 1 1 A 38 38 ALA N N 38 115.547 126.208 -10.661 1
1 362 . 6 1 1 A 39 39 LYS H H 39 8.054 7.857 0.197 1
1 363 . 6 1 1 A 39 39 LYS HA H 39 5.247 5.056 0.191 1
1 372 . 6 1 1 A 39 39 LYS C C 39 175.201 174.552 0.649 1
1 373 . 6 1 1 A 39 39 LYS CA C 39 54.583 54.682 -0.099 1
1 374 . 6 1 1 A 39 39 LYS CB C 39 34.824 35.673 -0.849 1
1 378 . 6 1 1 A 39 39 LYS N N 39 117.589 117.630 -0.041 1
1 379 . 6 1 1 A 40 40 LEU H H 40 9.090 8.745 0.345 1
1 380 . 6 1 1 A 40 40 LEU HA H 40 5.353 5.114 0.239 1
1 390 . 6 1 1 A 40 40 LEU C C 40 175.382 174.911 0.471 1
1 391 . 6 1 1 A 40 40 LEU CA C 40 53.987 53.628 0.359 1
1 392 . 6 1 1 A 40 40 LEU CB C 40 45.718 44.649 1.069 1
1 396 . 6 1 1 A 40 40 LEU N N 40 126.300 125.368 0.932 1
1 397 . 6 1 1 A 41 41 SER H H 41 9.539 8.869 0.670 1
1 398 . 6 1 1 A 41 41 SER HA H 41 5.493 4.908 0.585 1
1 401 . 6 1 1 A 41 41 SER C C 41 173.435 173.936 -0.501 1
1 402 . 6 1 1 A 41 41 SER CA C 41 56.816 57.839 -1.023 1
1 403 . 6 1 1 A 41 41 SER CB C 41 65.706 63.935 1.771 1
1 404 . 6 1 1 A 41 41 SER N N 41 123.399 124.509 -1.110 1
1 405 . 6 1 1 A 42 42 PHE H H 42 8.344 7.941 0.403 1
1 406 . 6 1 1 A 42 42 PHE HA H 42 5.888 5.547 0.341 1
1 414 . 6 1 1 A 42 42 PHE C C 42 175.198 175.156 0.042 1
1 415 . 6 1 1 A 42 42 PHE CA C 42 54.335 55.532 -1.197 1
1 416 . 6 1 1 A 42 42 PHE CB C 42 43.360 41.018 2.342 1
1 422 . 6 1 1 A 42 42 PHE N N 42 117.935 123.563 -5.628 1
1 423 . 6 1 1 A 43 43 SER H H 43 8.843 8.606 0.237 1
1 424 . 6 1 1 A 43 43 SER HA H 43 4.918 5.157 -0.239 1
1 427 . 6 1 1 A 43 43 SER C C 43 175.040 174.231 0.809 1
1 428 . 6 1 1 A 43 43 SER CA C 43 58.215 57.246 0.969 1
1 429 . 6 1 1 A 43 43 SER CB C 43 66.789 66.321 0.468 1
1 430 . 6 1 1 A 43 43 SER N N 43 117.280 115.730 1.550 1
1 431 . 6 1 1 A 44 44 ASP H H 44 8.818 8.505 0.313 1
1 432 . 6 1 1 A 44 44 ASP HA H 44 4.909 4.833 0.076 1
1 435 . 6 1 1 A 44 44 ASP C C 44 175.955 175.867 0.088 1
1 436 . 6 1 1 A 44 44 ASP CA C 44 54.815 53.807 1.008 1
1 437 . 6 1 1 A 44 44 ASP CB C 44 41.729 41.507 0.222 1
1 438 . 6 1 1 A 44 44 ASP N N 44 120.846 122.275 -1.429 1
1 439 . 6 1 1 A 45 45 ASP H H 45 8.726 8.516 0.210 1
1 440 . 6 1 1 A 45 45 ASP HA H 45 4.273 4.689 -0.416 1
1 443 . 6 1 1 A 45 45 ASP C C 45 177.889 177.586 0.303 1
1 444 . 6 1 1 A 45 45 ASP CA C 45 54.145 54.940 -0.795 1
1 445 . 6 1 1 A 45 45 ASP CB C 45 41.329 41.513 -0.184 1
1 446 . 6 1 1 A 45 45 ASP N N 45 120.848 121.974 -1.126 1
1 447 . 6 1 1 A 46 46 ILE H H 46 8.369 8.055 0.314 1
1 448 . 6 1 1 A 46 46 ILE HA H 46 4.079 4.419 -0.340 1
1 458 . 6 1 1 A 46 46 ILE C C 46 177.339 176.511 0.828 1
1 459 . 6 1 1 A 46 46 ILE CA C 46 62.357 60.945 1.412 1
1 460 . 6 1 1 A 46 46 ILE CB C 46 38.708 38.857 -0.149 1
1 464 . 6 1 1 A 46 46 ILE N N 46 123.832 117.449 6.383 1
1 465 . 6 1 1 A 47 47 GLU H H 47 8.577 7.962 0.615 1
1 466 . 6 1 1 A 47 47 GLU HA H 47 4.258 4.472 -0.214 1
1 471 . 6 1 1 A 47 47 GLU C C 47 177.164 177.028 0.136 1
1 472 . 6 1 1 A 47 47 GLU CA C 47 57.249 56.875 0.374 1
1 473 . 6 1 1 A 47 47 GLU CB C 47 29.900 32.023 -2.123 1
1 475 . 6 1 1 A 47 47 GLU N N 47 122.294 119.549 2.745 1
1 476 . 6 1 1 A 48 48 GLN H H 48 7.894 8.089 -0.195 1
1 477 . 6 1 1 A 48 48 GLN HA H 48 4.365 4.404 -0.039 1
1 484 . 6 1 1 A 48 48 GLN C C 48 176.278 175.438 0.840 1
1 485 . 6 1 1 A 48 48 GLN CA C 48 55.830 55.799 0.031 1
1 486 . 6 1 1 A 48 48 GLN CB C 48 29.383 28.954 0.429 1
1 488 . 6 1 1 A 48 48 GLN N N 48 118.968 117.776 1.192 1
1 490 . 6 1 1 A 49 49 THR H H 49 8.048 7.443 0.605 1
1 491 . 6 1 1 A 49 49 THR HA H 49 4.331 4.128 0.203 1
1 496 . 6 1 1 A 49 49 THR C C 49 174.784 174.900 -0.116 1
1 497 . 6 1 1 A 49 49 THR CA C 49 62.135 62.382 -0.247 1
1 498 . 6 1 1 A 49 49 THR CB C 49 69.736 69.241 0.495 1
1 500 . 6 1 1 A 49 49 THR N N 49 114.601 113.678 0.923 1
1 501 . 6 1 1 A 50 50 MET H H 50 8.409 8.605 -0.196 1
1 502 . 6 1 1 A 50 50 MET HA H 50 4.510 4.808 -0.298 1
1 510 . 6 1 1 A 50 50 MET C C 50 176.451 175.756 0.695 1
1 511 . 6 1 1 A 50 50 MET CA C 50 55.601 54.161 1.440 1
1 512 . 6 1 1 A 50 50 MET CB C 50 32.850 31.845 1.005 1
1 515 . 6 1 1 A 50 50 MET N N 50 122.660 123.885 -1.225 1
1 516 . 6 1 1 A 51 51 GLU H H 51 8.418 7.496 0.922 1
1 517 . 6 1 1 A 51 51 GLU HA H 51 4.272 4.260 0.012 1
1 522 . 6 1 1 A 51 51 GLU C C 51 176.777 177.245 -0.468 1
1 523 . 6 1 1 A 51 51 GLU CA C 51 56.680 57.035 -0.355 1
1 524 . 6 1 1 A 51 51 GLU CB C 51 30.262 29.877 0.385 1
1 526 . 6 1 1 A 51 51 GLU N N 51 121.650 119.764 1.886 1
1 527 . 6 1 1 A 52 52 GLU H H 52 8.325 8.947 -0.622 1
1 528 . 6 1 1 A 52 52 GLU HA H 52 4.174 3.963 0.211 1
1 533 . 6 1 1 A 52 52 GLU C C 52 176.178 177.223 -1.045 1
1 534 . 6 1 1 A 52 52 GLU N N 52 120.869 124.562 -3.693 1
1 535 . 6 1 1 A 53 53 ASP H H 53 8.320 7.757 0.563 1
1 536 . 6 1 1 A 53 53 ASP HA H 53 4.527 4.689 -0.162 1
1 539 . 6 1 1 A 53 53 ASP C C 53 175.650 175.469 0.181 1
1 540 . 6 1 1 A 53 53 ASP CA C 53 54.322 52.707 1.615 1
1 541 . 6 1 1 A 53 53 ASP CB C 53 41.040 39.933 1.107 1
1 542 . 6 1 1 A 53 53 ASP N N 53 119.656 115.373 4.283 1
1 543 . 6 1 1 A 54 54 ASN H H 54 8.134 7.998 0.136 1
1 544 . 6 1 1 A 54 54 ASN HA H 54 4.970 4.326 0.644 1
1 549 . 6 1 1 A 54 54 ASN CA C 54 51.120 53.942 -2.822 1
1 550 . 6 1 1 A 54 54 ASN CB C 54 39.125 36.968 2.157 1
1 551 . 6 1 1 A 54 54 ASN N N 54 118.436 113.523 4.913 1
1 553 . 6 1 1 A 55 55 PRO HA H 55 4.394 4.756 -0.362 1
1 560 . 6 1 1 A 55 55 PRO C C 55 177.514 177.484 0.030 1
1 561 . 6 1 1 A 55 55 PRO CA C 55 63.910 63.140 0.770 1
1 562 . 6 1 1 A 55 55 PRO CB C 55 32.077 31.781 0.296 1
1 565 . 6 1 1 A 56 56 LEU H H 56 8.181 8.864 -0.683 1
1 566 . 6 1 1 A 56 56 LEU HA H 56 4.268 3.965 0.303 1
1 576 . 6 1 1 A 56 56 LEU C C 56 178.176 177.355 0.821 1
1 577 . 6 1 1 A 56 56 LEU CA C 56 55.542 55.637 -0.095 1
1 578 . 6 1 1 A 56 56 LEU CB C 56 41.783 40.625 1.158 1
1 582 . 6 1 1 A 56 56 LEU N N 56 120.122 121.334 -1.212 1
1 583 . 6 1 1 A 57 57 GLY H H 57 8.071 8.424 -0.353 1
1 584 . 6 1 1 A 57 57 GLY HA2 H 57 3.946 3.739 0.207 1
1 585 . 6 1 1 A 57 57 GLY HA3 H 57 3.946 3.742 0.204 1
1 586 . 6 1 1 A 57 57 GLY C C 57 174.306 174.428 -0.122 1
1 587 . 6 1 1 A 57 57 GLY CA C 57 45.460 47.023 -1.563 1
1 588 . 6 1 1 A 57 57 GLY N N 57 108.437 113.946 -5.509 1
1 589 . 6 1 1 A 58 58 SER H H 58 8.170 8.093 0.077 1
1 590 . 6 1 1 A 58 58 SER HA H 58 4.460 4.464 -0.004 1
1 593 . 6 1 1 A 58 58 SER C C 58 174.785 174.401 0.384 1
1 594 . 6 1 1 A 58 58 SER CA C 58 58.319 58.794 -0.475 1
1 595 . 6 1 1 A 58 58 SER CB C 58 63.792 62.678 1.114 1
1 596 . 6 1 1 A 58 58 SER N N 58 115.478 114.260 1.218 1
1 597 . 6 1 1 A 59 59 LEU H H 59 8.278 8.674 -0.396 1
1 598 . 6 1 1 A 59 59 LEU HA H 59 4.384 4.506 -0.122 1
1 608 . 6 1 1 A 59 59 LEU CA C 59 55.219 56.766 -1.547 1
1 609 . 6 1 1 A 59 59 LEU CB C 59 42.377 43.877 -1.500 1
1 613 . 6 1 1 A 59 59 LEU N N 59 124.033 125.224 -1.191 1
1 614 . 6 1 1 A 60 60 CYS H H 60 8.331 7.709 0.622 1
1 615 . 6 1 1 A 60 60 CYS HA H 60 4.398 4.301 0.097 1
1 618 . 6 1 1 A 60 60 CYS C C 60 174.142 174.453 -0.311 1
1 619 . 6 1 1 A 60 60 CYS CA C 60 58.505 59.486 -0.981 1
1 620 . 6 1 1 A 60 60 CYS CB C 60 27.338 27.304 0.034 1
1 621 . 6 1 1 A 60 60 CYS N N 60 120.390 115.517 4.873 1
1 622 . 6 1 1 A 61 61 ARG H H 61 8.632 8.587 0.045 1
1 623 . 6 1 1 A 61 61 ARG HA H 61 4.337 4.561 -0.224 1
1 630 . 6 1 1 A 61 61 ARG C C 61 176.096 176.265 -0.169 1
1 631 . 6 1 1 A 61 61 ARG CA C 61 56.003 56.303 -0.300 1
1 632 . 6 1 1 A 61 61 ARG CB C 61 30.757 31.247 -0.490 1
1 635 . 6 1 1 A 61 61 ARG N N 61 125.869 125.427 0.442 1
1 636 . 6 1 1 A 62 62 GLY H H 62 7.263 6.533 0.730 1
1 637 . 6 1 1 A 62 62 GLY HA2 H 62 3.008 3.556 -0.548 1
1 638 . 6 1 1 A 62 62 GLY HA3 H 62 3.875 3.853 0.022 1
1 639 . 6 1 1 A 62 62 GLY C C 62 170.609 170.669 -0.060 1
1 640 . 6 1 1 A 62 62 GLY CA C 62 44.808 44.917 -0.109 1
1 641 . 6 1 1 A 62 62 GLY N N 62 107.908 103.949 3.959 1
1 642 . 6 1 1 A 63 63 ILE H H 63 7.895 8.265 -0.370 1
1 643 . 6 1 1 A 63 63 ILE HA H 63 4.843 4.678 0.165 1
1 653 . 6 1 1 A 63 63 ILE C C 63 175.450 174.384 1.066 1
1 654 . 6 1 1 A 63 63 ILE CA C 63 60.322 59.432 0.890 1
1 655 . 6 1 1 A 63 63 ILE CB C 63 41.957 42.342 -0.385 1
1 659 . 6 1 1 A 63 63 ILE N N 63 117.987 121.194 -3.207 1
1 660 . 6 1 1 A 64 64 LEU H H 64 9.429 9.181 0.248 1
1 661 . 6 1 1 A 64 64 LEU HA H 64 4.916 4.732 0.184 1
1 671 . 6 1 1 A 64 64 LEU C C 64 176.136 176.457 -0.321 1
1 672 . 6 1 1 A 64 64 LEU CA C 64 53.059 54.034 -0.975 1
1 673 . 6 1 1 A 64 64 LEU CB C 64 43.788 42.624 1.164 1
1 677 . 6 1 1 A 64 64 LEU N N 64 127.063 128.286 -1.223 1
1 678 . 6 1 1 A 65 65 ASP H H 65 9.241 8.938 0.303 1
1 679 . 6 1 1 A 65 65 ASP HA H 65 4.818 4.352 0.466 1
1 682 . 6 1 1 A 65 65 ASP C C 65 177.925 176.713 1.212 1
1 683 . 6 1 1 A 65 65 ASP CA C 65 53.628 57.217 -3.589 1
1 684 . 6 1 1 A 65 65 ASP CB C 65 40.307 40.689 -0.382 1
1 685 . 6 1 1 A 65 65 ASP N N 65 122.728 127.093 -4.365 1
1 686 . 6 1 1 A 66 66 LEU H H 66 8.766 8.135 0.631 1
1 687 . 6 1 1 A 66 66 LEU HA H 66 4.212 4.400 -0.188 1
1 697 . 6 1 1 A 66 66 LEU C C 66 177.167 176.585 0.582 1
1 698 . 6 1 1 A 66 66 LEU CA C 66 57.854 57.168 0.686 1
1 699 . 6 1 1 A 66 66 LEU CB C 66 41.006 40.795 0.211 1
1 703 . 6 1 1 A 66 66 LEU N N 66 126.997 118.774 8.223 1
1 704 . 6 1 1 A 67 67 ASN H H 67 8.585 9.058 -0.473 1
1 705 . 6 1 1 A 67 67 ASN HA H 67 4.721 4.422 0.299 1
1 710 . 6 1 1 A 67 67 ASN C C 67 176.583 174.025 2.558 1
1 711 . 6 1 1 A 67 67 ASN CA C 67 55.648 55.252 0.396 1
1 712 . 6 1 1 A 67 67 ASN CB C 67 38.464 37.208 1.256 1
1 713 . 6 1 1 A 67 67 ASN N N 67 113.883 115.990 -2.107 1
1 715 . 6 1 1 A 68 68 THR H H 68 8.007 8.113 -0.106 1
1 716 . 6 1 1 A 68 68 THR HA H 68 4.513 4.663 -0.150 1
1 721 . 6 1 1 A 68 68 THR C C 68 172.870 173.722 -0.852 1
1 722 . 6 1 1 A 68 68 THR CA C 68 61.441 61.114 0.327 1
1 723 . 6 1 1 A 68 68 THR CB C 68 69.432 70.212 -0.780 1
1 725 . 6 1 1 A 68 68 THR N N 68 108.340 112.859 -4.519 1
1 726 . 6 1 1 A 69 69 TYR H H 69 7.560 7.676 -0.116 1
1 727 . 6 1 1 A 69 69 TYR HA H 69 5.199 4.990 0.209 1
1 734 . 6 1 1 A 69 69 TYR C C 69 174.283 175.192 -0.909 1
1 735 . 6 1 1 A 69 69 TYR CA C 69 57.848 56.563 1.285 1
1 736 . 6 1 1 A 69 69 TYR CB C 69 44.393 42.316 2.077 1
1 741 . 6 1 1 A 69 69 TYR N N 69 119.888 121.575 -1.687 1
1 742 . 6 1 1 A 70 70 ASN H H 70 9.116 9.213 -0.097 1
1 743 . 6 1 1 A 70 70 ASN HA H 70 5.162 5.533 -0.371 1
1 748 . 6 1 1 A 70 70 ASN C C 70 174.340 174.483 -0.143 1
1 749 . 6 1 1 A 70 70 ASN CA C 70 52.364 52.538 -0.174 1
1 750 . 6 1 1 A 70 70 ASN CB C 70 42.062 41.714 0.348 1
1 751 . 6 1 1 A 70 70 ASN N N 70 116.071 118.224 -2.153 1
1 753 . 6 1 1 A 71 71 VAL H H 71 8.564 8.875 -0.311 1
1 754 . 6 1 1 A 71 71 VAL HA H 71 5.766 5.186 0.580 1
1 762 . 6 1 1 A 71 71 VAL C C 71 173.261 175.290 -2.029 1
1 763 . 6 1 1 A 71 71 VAL CA C 71 59.076 60.614 -1.538 1
1 764 . 6 1 1 A 71 71 VAL CB C 71 34.982 33.346 1.636 1
1 767 . 6 1 1 A 71 71 VAL N N 71 120.784 120.621 0.163 1
1 768 . 6 1 1 A 72 72 VAL H H 72 9.308 8.658 0.650 1
1 769 . 6 1 1 A 72 72 VAL HA H 72 4.806 4.628 0.178 1
1 777 . 6 1 1 A 72 72 VAL C C 72 175.047 173.914 1.133 1
1 778 . 6 1 1 A 72 72 VAL CA C 72 60.330 59.644 0.686 1
1 779 . 6 1 1 A 72 72 VAL CB C 72 36.467 35.063 1.404 1
1 782 . 6 1 1 A 72 72 VAL N N 72 125.272 120.344 4.928 1
1 783 . 6 1 1 A 73 73 LYS H H 73 8.793 8.139 0.654 1
1 784 . 6 1 1 A 73 73 LYS HA H 73 4.652 2.819 1.833 1
1 793 . 6 1 1 A 73 73 LYS C C 73 176.241 174.749 1.492 1
1 794 . 6 1 1 A 73 73 LYS CA C 73 55.799 55.739 0.060 1
1 795 . 6 1 1 A 73 73 LYS CB C 73 33.452 32.218 1.234 1
1 799 . 6 1 1 A 73 73 LYS N N 73 124.197 126.558 -2.361 1
1 800 . 6 1 1 A 74 74 ALA H H 74 8.172 8.343 -0.171 1
1 801 . 6 1 1 A 74 74 ALA HA H 74 4.849 4.512 0.337 1
1 805 . 6 1 1 A 74 74 ALA CA C 74 49.540 50.099 -0.559 1
1 806 . 6 1 1 A 74 74 ALA CB C 74 17.685 19.569 -1.884 1
1 807 . 6 1 1 A 74 74 ALA N N 74 128.026 129.506 -1.480 1
1 808 . 6 1 1 A 75 75 PRO HA H 75 4.351 4.448 -0.097 1
1 815 . 6 1 1 A 75 75 PRO CA C 75 65.256 63.281 1.975 1
1 816 . 6 1 1 A 75 75 PRO CB C 75 32.158 32.337 -0.179 1
1 819 . 6 1 1 A 76 76 GLN H H 76 8.660 9.119 -0.459 1
1 820 . 6 1 1 A 76 76 GLN HA H 76 4.561 3.901 0.660 1
1 825 . 6 1 1 A 76 76 GLN C C 76 176.426 175.956 0.470 1
1 826 . 6 1 1 A 76 76 GLN CA C 76 55.168 57.141 -1.973 1
1 827 . 6 1 1 A 76 76 GLN CB C 76 28.925 26.905 2.020 1
1 829 . 6 1 1 A 76 76 GLN N N 76 116.110 116.159 -0.049 1
1 830 . 6 1 1 A 77 77 GLY H H 77 7.527 8.298 -0.771 1
1 831 . 6 1 1 A 77 77 GLY HA2 H 77 3.382 3.821 -0.439 1
1 832 . 6 1 1 A 77 77 GLY HA3 H 77 4.505 3.865 0.640 1
1 833 . 6 1 1 A 77 77 GLY C C 77 172.487 174.450 -1.963 1
1 834 . 6 1 1 A 77 77 GLY CA C 77 44.852 45.719 -0.867 1
1 835 . 6 1 1 A 77 77 GLY N N 77 107.608 107.484 0.124 1
1 836 . 6 1 1 A 78 78 LYS H H 78 8.123 8.681 -0.558 1
1 837 . 6 1 1 A 78 78 LYS HA H 78 4.191 4.460 -0.269 1
1 846 . 6 1 1 A 78 78 LYS C C 78 175.300 175.329 -0.029 1
1 847 . 6 1 1 A 78 78 LYS CA C 78 56.737 57.363 -0.626 1
1 848 . 6 1 1 A 78 78 LYS CB C 78 35.900 35.710 0.190 1
1 852 . 6 1 1 A 78 78 LYS N N 78 117.756 123.618 -5.862 1
1 853 . 6 1 1 A 79 79 ASN H H 79 9.105 8.052 1.053 1
1 854 . 6 1 1 A 79 79 ASN HA H 79 4.099 4.874 -0.775 1
1 859 . 6 1 1 A 79 79 ASN C C 79 175.098 175.164 -0.066 1
1 860 . 6 1 1 A 79 79 ASN CA C 79 54.563 51.816 2.747 1
1 861 . 6 1 1 A 79 79 ASN CB C 79 37.353 40.404 -3.051 1
1 862 . 6 1 1 A 79 79 ASN N N 79 120.643 115.628 5.015 1
1 864 . 6 1 1 A 80 80 GLN H H 80 8.608 8.688 -0.080 1
1 865 . 6 1 1 A 80 80 GLN HA H 80 3.648 3.862 -0.214 1
1 870 . 6 1 1 A 80 80 GLN C C 80 175.327 174.558 0.769 1
1 871 . 6 1 1 A 80 80 GLN CA C 80 57.975 57.268 0.707 1
1 872 . 6 1 1 A 80 80 GLN CB C 80 26.506 27.050 -0.544 1
1 874 . 6 1 1 A 80 80 GLN N N 80 108.385 120.872 -12.487 1
1 875 . 6 1 1 A 81 81 LYS H H 81 7.608 7.539 0.069 1
1 876 . 6 1 1 A 81 81 LYS HA H 81 4.325 4.555 -0.230 1
1 885 . 6 1 1 A 81 81 LYS C C 81 176.242 175.734 0.508 1
1 886 . 6 1 1 A 81 81 LYS CA C 81 54.186 54.210 -0.024 1
1 887 . 6 1 1 A 81 81 LYS CB C 81 33.385 35.385 -2.000 1
1 891 . 6 1 1 A 81 81 LYS N N 81 119.675 119.494 0.181 1
1 892 . 6 1 1 A 82 82 SER H H 82 7.692 8.356 -0.664 1
1 893 . 6 1 1 A 82 82 SER HA H 82 3.850 4.415 -0.565 1
1 896 . 6 1 1 A 82 82 SER C C 82 174.045 174.048 -0.003 1
1 897 . 6 1 1 A 82 82 SER CA C 82 60.984 58.795 2.189 1
1 898 . 6 1 1 A 82 82 SER CB C 82 62.962 64.499 -1.537 1
1 899 . 6 1 1 A 82 82 SER N N 82 117.008 114.840 2.168 1
1 900 . 6 1 1 A 83 83 PHE H H 83 8.545 7.498 1.047 1
1 901 . 6 1 1 A 83 83 PHE HA H 83 4.921 5.262 -0.341 1
1 908 . 6 1 1 A 83 83 PHE C C 83 172.686 174.640 -1.954 1
1 909 . 6 1 1 A 83 83 PHE CA C 83 55.383 56.543 -1.160 1
1 910 . 6 1 1 A 83 83 PHE CB C 83 37.774 40.374 -2.600 1
1 915 . 6 1 1 A 83 83 PHE N N 83 124.073 116.971 7.102 1
1 916 . 6 1 1 A 84 84 VAL H H 84 8.420 8.785 -0.365 1
1 917 . 6 1 1 A 84 84 VAL HA H 84 5.348 5.138 0.210 1
1 925 . 6 1 1 A 84 84 VAL C C 84 175.816 174.708 1.108 1
1 926 . 6 1 1 A 84 84 VAL CA C 84 60.177 60.573 -0.396 1
1 927 . 6 1 1 A 84 84 VAL CB C 84 37.646 35.976 1.670 1
1 930 . 6 1 1 A 84 84 VAL N N 84 123.085 123.438 -0.353 1
1 931 . 6 1 1 A 85 85 PHE H H 85 8.812 8.953 -0.141 1
1 932 . 6 1 1 A 85 85 PHE HA H 85 5.510 5.087 0.423 1
1 940 . 6 1 1 A 85 85 PHE C C 85 171.610 174.527 -2.917 1
1 941 . 6 1 1 A 85 85 PHE CA C 85 55.360 56.056 -0.696 1
1 942 . 6 1 1 A 85 85 PHE CB C 85 41.424 41.139 0.285 1
1 948 . 6 1 1 A 85 85 PHE N N 85 122.454 124.849 -2.395 1
1 949 . 6 1 1 A 86 86 ILE H H 86 9.406 8.989 0.417 1
1 950 . 6 1 1 A 86 86 ILE HA H 86 4.844 4.899 -0.055 1
1 960 . 6 1 1 A 86 86 ILE C C 86 175.559 175.143 0.416 1
1 961 . 6 1 1 A 86 86 ILE CA C 86 60.323 60.172 0.151 1
1 962 . 6 1 1 A 86 86 ILE CB C 86 42.374 40.105 2.269 1
1 966 . 6 1 1 A 86 86 ILE N N 86 120.483 123.856 -3.373 1
1 967 . 6 1 1 A 87 87 LEU H H 87 9.450 9.141 0.309 1
1 968 . 6 1 1 A 87 87 LEU HA H 87 5.238 5.319 -0.081 1
1 978 . 6 1 1 A 87 87 LEU C C 87 175.145 176.253 -1.108 1
1 979 . 6 1 1 A 87 87 LEU CA C 87 52.778 53.329 -0.551 1
1 980 . 6 1 1 A 87 87 LEU CB C 87 40.657 44.326 -3.669 1
1 984 . 6 1 1 A 87 87 LEU N N 87 126.149 127.356 -1.207 1
1 985 . 6 1 1 A 88 88 GLU H H 88 9.120 9.086 0.034 1
1 986 . 6 1 1 A 88 88 GLU HA H 88 4.986 4.964 0.022 1
1 991 . 6 1 1 A 88 88 GLU CA C 88 52.677 53.145 -0.468 1
1 992 . 6 1 1 A 88 88 GLU CB C 88 31.511 30.969 0.542 1
1 994 . 6 1 1 A 88 88 GLU N N 88 126.028 123.570 2.458 1
1 995 . 6 1 1 A 89 89 PRO HA H 89 4.239 3.822 0.417 1
1 1002 . 6 1 1 A 89 89 PRO C C 89 177.398 176.854 0.544 1
1 1003 . 6 1 1 A 89 89 PRO CA C 89 63.214 62.491 0.723 1
1 1004 . 6 1 1 A 89 89 PRO CB C 89 32.855 32.612 0.243 1
1 1007 . 6 1 1 A 90 90 LYS H H 90 8.166 8.390 -0.224 1
1 1008 . 6 1 1 A 90 90 LYS HA H 90 4.041 4.507 -0.466 1
1 1017 . 6 1 1 A 90 90 LYS C C 90 177.384 177.091 0.293 1
1 1018 . 6 1 1 A 90 90 LYS CA C 90 58.404 55.906 2.498 1
1 1019 . 6 1 1 A 90 90 LYS CB C 90 33.133 33.240 -0.107 1
1 1023 . 6 1 1 A 90 90 LYS N N 90 121.350 120.929 0.421 1
1 1024 . 6 1 1 A 91 91 GLN H H 91 8.252 7.864 0.388 1
1 1025 . 6 1 1 A 91 91 GLN HA H 91 4.423 4.035 0.388 1
1 1032 . 6 1 1 A 91 91 GLN C C 91 175.039 176.490 -1.451 1
1 1033 . 6 1 1 A 91 91 GLN CA C 91 54.303 58.664 -4.361 1
1 1034 . 6 1 1 A 91 91 GLN CB C 91 29.208 28.712 0.496 1
1 1036 . 6 1 1 A 91 91 GLN N N 91 118.759 119.714 -0.955 1
1 1038 . 6 1 1 A 92 92 GLN H H 92 8.460 7.424 1.036 1
1 1039 . 6 1 1 A 92 92 GLN HA H 92 4.057 4.550 -0.493 1
1 1044 . 6 1 1 A 92 92 GLN C C 92 177.080 176.218 0.862 1
1 1045 . 6 1 1 A 92 92 GLN CA C 92 57.446 57.212 0.234 1
1 1046 . 6 1 1 A 92 92 GLN CB C 92 28.472 30.678 -2.206 1
1 1048 . 6 1 1 A 92 92 GLN N N 92 124.928 114.706 10.222 1
1 1049 . 6 1 1 A 93 93 GLY H H 93 8.870 7.888 0.982 1
1 1050 . 6 1 1 A 93 93 GLY HA2 H 93 3.639 4.075 -0.436 1
1 1051 . 6 1 1 A 93 93 GLY HA3 H 93 4.338 4.080 0.258 1
1 1052 . 6 1 1 A 93 93 GLY C C 93 174.298 173.797 0.501 1
1 1053 . 6 1 1 A 93 93 GLY CA C 93 45.336 45.608 -0.272 1
1 1054 . 6 1 1 A 93 93 GLY N N 93 113.393 106.511 6.882 1
1 1055 . 6 1 1 A 94 94 ASP H H 94 7.546 7.496 0.050 1
1 1056 . 6 1 1 A 94 94 ASP HA H 94 5.056 4.787 0.269 1
1 1059 . 6 1 1 A 94 94 ASP CA C 94 52.662 52.505 0.157 1
1 1060 . 6 1 1 A 94 94 ASP CB C 94 40.179 39.635 0.544 1
1 1061 . 6 1 1 A 94 94 ASP N N 94 123.111 120.598 2.513 1
1 1062 . 6 1 1 A 95 95 PRO HA H 95 4.933 4.750 0.183 1
1 1069 . 6 1 1 A 95 95 PRO CA C 95 61.243 61.444 -0.201 1
1 1070 . 6 1 1 A 95 95 PRO CB C 95 31.234 31.884 -0.650 1
1 1073 . 6 1 1 A 96 96 PRO HA H 96 5.190 5.022 0.168 1
1 1080 . 6 1 1 A 96 96 PRO C C 96 176.664 175.584 1.080 1
1 1081 . 6 1 1 A 96 96 PRO CA C 96 62.399 62.505 -0.106 1
1 1082 . 6 1 1 A 96 96 PRO CB C 96 32.850 33.036 -0.186 1
1 1085 . 6 1 1 A 97 97 VAL H H 97 8.448 8.291 0.157 1
1 1086 . 6 1 1 A 97 97 VAL HA H 97 4.145 4.690 -0.545 1
1 1094 . 6 1 1 A 97 97 VAL C C 97 174.020 175.197 -1.177 1
1 1095 . 6 1 1 A 97 97 VAL CA C 97 61.710 60.898 0.812 1
1 1096 . 6 1 1 A 97 97 VAL CB C 97 33.977 35.192 -1.215 1
1 1099 . 6 1 1 A 97 97 VAL N N 97 121.904 120.046 1.858 1
1 1100 . 6 1 1 A 98 98 GLU H H 98 8.599 8.799 -0.200 1
1 1101 . 6 1 1 A 98 98 GLU HA H 98 4.778 5.226 -0.448 1
1 1106 . 6 1 1 A 98 98 GLU C C 98 173.807 176.113 -2.306 1
1 1107 . 6 1 1 A 98 98 GLU CA C 98 55.674 55.463 0.211 1
1 1108 . 6 1 1 A 98 98 GLU CB C 98 30.827 32.350 -1.523 1
1 1110 . 6 1 1 A 98 98 GLU N N 98 126.577 127.184 -0.607 1
1 1111 . 6 1 1 A 99 99 PHE H H 99 8.701 9.073 -0.372 1
1 1112 . 6 1 1 A 99 99 PHE HA H 99 5.773 6.021 -0.248 1
1 1120 . 6 1 1 A 99 99 PHE C C 99 174.648 174.878 -0.230 1
1 1121 . 6 1 1 A 99 99 PHE CA C 99 55.799 56.920 -1.121 1
1 1122 . 6 1 1 A 99 99 PHE CB C 99 44.025 44.439 -0.414 1
1 1128 . 6 1 1 A 99 99 PHE N N 99 120.755 120.478 0.277 1
1 1129 . 6 1 1 A 100 100 ALA H H 100 8.737 8.836 -0.099 1
1 1130 . 6 1 1 A 100 100 ALA HA H 100 5.669 5.247 0.422 1
1 1134 . 6 1 1 A 100 100 ALA C C 100 176.491 176.367 0.124 1
1 1135 . 6 1 1 A 100 100 ALA CA C 100 49.850 51.365 -1.515 1
1 1136 . 6 1 1 A 100 100 ALA CB C 100 23.399 23.420 -0.021 1
1 1137 . 6 1 1 A 100 100 ALA N N 100 118.211 122.222 -4.011 1
1 1138 . 6 1 1 A 101 101 THR H H 101 8.272 8.571 -0.299 1
1 1139 . 6 1 1 A 101 101 THR HA H 101 5.232 5.004 0.228 1
1 1144 . 6 1 1 A 101 101 THR C C 101 174.787 173.624 1.163 1
1 1145 . 6 1 1 A 101 101 THR CA C 101 59.068 60.119 -1.051 1
1 1146 . 6 1 1 A 101 101 THR CB C 101 70.089 72.081 -1.992 1
1 1148 . 6 1 1 A 101 101 THR N N 101 108.062 109.619 -1.557 1
1 1149 . 6 1 1 A 102 102 ASP H H 102 8.625 8.675 -0.050 1
1 1150 . 6 1 1 A 102 102 ASP HA H 102 5.009 4.965 0.044 1
1 1153 . 6 1 1 A 102 102 ASP C C 102 177.730 175.923 1.807 1
1 1154 . 6 1 1 A 102 102 ASP CA C 102 56.976 54.956 2.020 1
1 1155 . 6 1 1 A 102 102 ASP CB C 102 42.543 43.084 -0.541 1
1 1156 . 6 1 1 A 102 102 ASP N N 102 118.482 118.400 0.082 1
1 1157 . 6 1 1 A 103 103 ARG H H 103 8.208 7.502 0.706 1
1 1158 . 6 1 1 A 103 103 ARG HA H 103 4.772 4.834 -0.062 1
1 1165 . 6 1 1 A 103 103 ARG C C 103 178.000 176.291 1.709 1
1 1166 . 6 1 1 A 103 103 ARG CA C 103 54.079 53.991 0.088 1
1 1167 . 6 1 1 A 103 103 ARG CB C 103 33.914 34.212 -0.298 1
1 1170 . 6 1 1 A 103 103 ARG N N 103 116.043 116.977 -0.934 1
1 1171 . 6 1 1 A 104 104 VAL H H 104 8.516 8.490 0.026 1
1 1172 . 6 1 1 A 104 104 VAL HA H 104 2.857 3.660 -0.803 1
1 1180 . 6 1 1 A 104 104 VAL C C 104 176.158 177.540 -1.382 1
1 1181 . 6 1 1 A 104 104 VAL CA C 104 64.625 64.484 0.141 1
1 1182 . 6 1 1 A 104 104 VAL CB C 104 30.883 31.444 -0.561 1
1 1185 . 6 1 1 A 104 104 VAL N N 104 128.496 122.785 5.711 1
1 1186 . 6 1 1 A 105 105 GLU H H 105 9.414 8.312 1.102 1
1 1187 . 6 1 1 A 105 105 GLU HA H 105 3.989 4.069 -0.080 1
1 1192 . 6 1 1 A 105 105 GLU C C 105 179.982 178.744 1.238 1
1 1193 . 6 1 1 A 105 105 GLU CA C 105 60.599 59.261 1.338 1
1 1194 . 6 1 1 A 105 105 GLU CB C 105 27.973 29.279 -1.306 1
1 1196 . 6 1 1 A 105 105 GLU N N 105 121.934 119.784 2.150 1
1 1197 . 6 1 1 A 106 106 GLU H H 106 6.769 8.241 -1.472 1
1 1198 . 6 1 1 A 106 106 GLU HA H 106 4.370 4.132 0.238 1
1 1203 . 6 1 1 A 106 106 GLU C C 106 178.312 179.220 -0.908 1
1 1204 . 6 1 1 A 106 106 GLU CA C 106 58.503 59.103 -0.600 1
1 1205 . 6 1 1 A 106 106 GLU CB C 106 30.657 29.518 1.139 1
1 1207 . 6 1 1 A 106 106 GLU N N 106 116.721 120.237 -3.516 1
1 1208 . 6 1 1 A 107 107 LEU H H 107 7.161 7.946 -0.785 1
1 1209 . 6 1 1 A 107 107 LEU HA H 107 4.040 4.115 -0.075 1
1 1219 . 6 1 1 A 107 107 LEU C C 107 177.985 178.349 -0.364 1
1 1220 . 6 1 1 A 107 107 LEU CA C 107 58.930 58.056 0.874 1
1 1221 . 6 1 1 A 107 107 LEU CB C 107 40.058 42.056 -1.998 1
1 1225 . 6 1 1 A 107 107 LEU N N 107 122.171 122.994 -0.823 1
1 1226 . 6 1 1 A 108 108 PHE H H 108 7.986 8.396 -0.410 1
1 1227 . 6 1 1 A 108 108 PHE HA H 108 4.199 4.070 0.129 1
1 1234 . 6 1 1 A 108 108 PHE C C 108 178.069 177.756 0.313 1
1 1235 . 6 1 1 A 108 108 PHE CA C 108 61.167 61.068 0.099 1
1 1236 . 6 1 1 A 108 108 PHE CB C 108 38.208 38.365 -0.157 1
1 1241 . 6 1 1 A 108 108 PHE N N 108 116.696 119.184 -2.488 1
1 1242 . 6 1 1 A 109 109 GLU H H 109 7.719 8.573 -0.854 1
1 1243 . 6 1 1 A 109 109 GLU HA H 109 3.951 4.031 -0.080 1
1 1248 . 6 1 1 A 109 109 GLU C C 109 179.858 179.070 0.788 1
1 1249 . 6 1 1 A 109 109 GLU CA C 109 59.664 59.155 0.509 1
1 1250 . 6 1 1 A 109 109 GLU CB C 109 29.923 29.403 0.520 1
1 1252 . 6 1 1 A 109 109 GLU N N 109 119.214 119.541 -0.327 1
1 1253 . 6 1 1 A 110 110 TRP H H 110 8.445 7.833 0.612 1
1 1254 . 6 1 1 A 110 110 TRP HA H 110 3.634 4.205 -0.571 1
1 1263 . 6 1 1 A 110 110 TRP C C 110 177.691 178.907 -1.216 1
1 1264 . 6 1 1 A 110 110 TRP CA C 110 62.078 60.237 1.841 1
1 1265 . 6 1 1 A 110 110 TRP CB C 110 29.275 28.900 0.375 1
1 1271 . 6 1 1 A 110 110 TRP N N 110 120.045 120.645 -0.600 1
1 1273 . 6 1 1 A 111 111 PHE H H 111 8.668 7.905 0.763 1
1 1274 . 6 1 1 A 111 111 PHE HA H 111 3.436 4.081 -0.645 1
1 1282 . 6 1 1 A 111 111 PHE C C 111 176.547 177.786 -1.239 1
1 1283 . 6 1 1 A 111 111 PHE CA C 111 62.182 61.278 0.904 1
1 1284 . 6 1 1 A 111 111 PHE CB C 111 39.904 37.372 2.532 1
1 1290 . 6 1 1 A 111 111 PHE N N 111 117.907 117.827 0.080 1
1 1291 . 6 1 1 A 112 112 GLN H H 112 8.254 7.974 0.280 1
1 1292 . 6 1 1 A 112 112 GLN HA H 112 3.685 3.845 -0.160 1
1 1299 . 6 1 1 A 112 112 GLN C C 112 178.503 177.919 0.584 1
1 1300 . 6 1 1 A 112 112 GLN CA C 112 58.624 58.668 -0.044 1
1 1301 . 6 1 1 A 112 112 GLN CB C 112 27.980 28.370 -0.390 1
1 1303 . 6 1 1 A 112 112 GLN N N 112 116.394 121.245 -4.851 1
1 1305 . 6 1 1 A 113 113 SER H H 113 7.741 7.845 -0.104 1
1 1306 . 6 1 1 A 113 113 SER HA H 113 4.036 4.413 -0.377 1
1 1309 . 6 1 1 A 113 113 SER C C 113 176.428 177.614 -1.186 1
1 1310 . 6 1 1 A 113 113 SER CA C 113 62.062 61.408 0.654 1
1 1311 . 6 1 1 A 113 113 SER CB C 113 62.655 62.339 0.316 1
1 1312 . 6 1 1 A 113 113 SER N N 113 114.734 115.422 -0.688 1
1 1313 . 6 1 1 A 114 114 ILE H H 114 7.915 7.880 0.035 1
1 1314 . 6 1 1 A 114 114 ILE HA H 114 3.559 3.647 -0.088 1
1 1324 . 6 1 1 A 114 114 ILE C C 114 178.594 178.345 0.249 1
1 1325 . 6 1 1 A 114 114 ILE CA C 114 65.364 65.179 0.185 1
1 1326 . 6 1 1 A 114 114 ILE CB C 114 38.395 37.448 0.947 1
1 1330 . 6 1 1 A 114 114 ILE N N 114 119.893 122.753 -2.860 1
1 1331 . 6 1 1 A 115 115 ARG H H 115 8.581 7.968 0.613 1
1 1332 . 6 1 1 A 115 115 ARG HA H 115 3.881 4.246 -0.365 1
1 1339 . 6 1 1 A 115 115 ARG C C 115 177.921 179.254 -1.333 1
1 1340 . 6 1 1 A 115 115 ARG CA C 115 58.689 59.545 -0.856 1
1 1341 . 6 1 1 A 115 115 ARG CB C 115 29.134 29.791 -0.657 1
1 1344 . 6 1 1 A 115 115 ARG N N 115 123.090 121.034 2.056 1
1 1345 . 6 1 1 A 116 116 GLU H H 116 7.653 8.105 -0.452 1
1 1346 . 6 1 1 A 116 116 GLU HA H 116 3.959 4.135 -0.176 1
1 1351 . 6 1 1 A 116 116 GLU C C 116 178.178 177.401 0.777 1
1 1352 . 6 1 1 A 116 116 GLU CA C 116 58.767 58.788 -0.021 1
1 1353 . 6 1 1 A 116 116 GLU CB C 116 29.501 29.403 0.098 1
1 1355 . 6 1 1 A 116 116 GLU N N 116 116.356 119.382 -3.026 1
1 1356 . 6 1 1 A 117 117 ILE H H 117 7.334 7.670 -0.336 1
1 1357 . 6 1 1 A 117 117 ILE HA H 117 3.909 4.031 -0.122 1
1 1367 . 6 1 1 A 117 117 ILE C C 117 177.733 177.584 0.149 1
1 1368 . 6 1 1 A 117 117 ILE CA C 117 63.443 63.221 0.222 1
1 1369 . 6 1 1 A 117 117 ILE CB C 117 39.059 39.391 -0.332 1
1 1373 . 6 1 1 A 117 117 ILE N N 117 117.514 118.540 -1.026 1
1 1374 . 6 1 1 A 118 118 THR H H 118 8.075 7.688 0.387 1
1 1375 . 6 1 1 A 118 118 THR HA H 118 4.367 4.405 -0.038 1
1 1380 . 6 1 1 A 118 118 THR C C 118 176.050 175.949 0.101 1
1 1381 . 6 1 1 A 118 118 THR CA C 118 63.494 64.117 -0.623 1
1 1382 . 6 1 1 A 118 118 THR CB C 118 70.326 69.691 0.635 1
1 1384 . 6 1 1 A 118 118 THR N N 118 109.879 112.034 -2.155 1
1 1385 . 6 1 1 A 119 119 TRP H H 119 8.283 8.309 -0.026 1
1 1386 . 6 1 1 A 119 119 TRP HA H 119 4.792 4.249 0.543 1
1 1395 . 6 1 1 A 119 119 TRP C C 119 175.855 175.532 0.323 1
1 1396 . 6 1 1 A 119 119 TRP CA C 119 57.464 60.398 -2.934 1
1 1397 . 6 1 1 A 119 119 TRP CB C 119 29.488 29.936 -0.448 1
1 1403 . 6 1 1 A 119 119 TRP N N 119 124.034 123.547 0.487 1
1 1405 . 6 1 1 A 120 120 LYS H H 120 7.723 7.923 -0.200 1
1 1406 . 6 1 1 A 120 120 LYS HA H 120 4.198 4.687 -0.489 1
1 1415 . 6 1 1 A 120 120 LYS C C 120 176.162 175.040 1.122 1
1 1416 . 6 1 1 A 120 120 LYS CA C 120 56.049 54.717 1.332 1
1 1417 . 6 1 1 A 120 120 LYS CB C 120 32.924 35.196 -2.272 1
1 1421 . 6 1 1 A 120 120 LYS N N 120 123.166 117.143 6.023 1
1 1422 . 6 1 1 A 121 121 ILE H H 121 7.874 8.815 -0.941 1
1 1423 . 6 1 1 A 121 121 ILE HA H 121 4.035 4.606 -0.571 1
1 1433 . 6 1 1 A 121 121 ILE C C 121 175.950 175.033 0.917 1
1 1434 . 6 1 1 A 121 121 ILE CA C 121 61.120 60.543 0.577 1
1 1435 . 6 1 1 A 121 121 ILE CB C 121 38.708 40.840 -2.132 1
1 1439 . 6 1 1 A 121 121 ILE N N 121 121.301 123.034 -1.733 1
1 1440 . 6 1 1 A 122 122 ASP H H 122 8.317 8.689 -0.372 1
1 1441 . 6 1 1 A 122 122 ASP HA H 122 4.677 4.590 0.087 1
1 1444 . 6 1 1 A 122 122 ASP C C 122 176.278 176.329 -0.051 1
1 1445 . 6 1 1 A 122 122 ASP CA C 122 54.157 54.974 -0.817 1
1 1446 . 6 1 1 A 122 122 ASP CB C 122 41.316 41.316 0.000 1
1 1447 . 6 1 1 A 122 122 ASP N N 122 124.058 128.695 -4.637 1
1 1448 . 6 1 1 A 123 123 THR H H 123 8.003 8.401 -0.398 1
1 1449 . 6 1 1 A 123 123 THR HA H 123 4.307 4.860 -0.553 1
1 1454 . 6 1 1 A 123 123 THR C C 123 173.831 173.844 -0.013 1
1 1455 . 6 1 1 A 123 123 THR CA C 123 61.715 60.893 0.822 1
1 1456 . 6 1 1 A 123 123 THR CB C 123 69.736 70.137 -0.401 1
1 1458 . 6 1 1 A 123 123 THR N N 123 114.853 113.298 1.555 1
1 2 . 7 1 1 A 9 9 LYS H H 9 8.338 8.756 -0.418 1
1 3 . 7 1 1 A 9 9 LYS C C 9 176.402 175.015 1.387 1
1 4 . 7 1 1 A 9 9 LYS N N 9 122.857 125.069 -2.212 1
1 5 . 7 1 1 A 10 10 ASP H H 10 8.335 8.660 -0.325 1
1 6 . 7 1 1 A 10 10 ASP HA H 10 4.562 5.317 -0.755 1
1 9 . 7 1 1 A 10 10 ASP C C 10 176.123 175.405 0.718 1
1 10 . 7 1 1 A 10 10 ASP CA C 10 54.344 52.795 1.549 1
1 11 . 7 1 1 A 10 10 ASP CB C 10 41.227 44.488 -3.261 1
1 12 . 7 1 1 A 10 10 ASP N N 10 121.507 126.083 -4.576 1
1 13 . 7 1 1 A 11 11 GLU H H 11 8.231 8.692 -0.461 1
1 14 . 7 1 1 A 11 11 GLU HA H 11 4.222 4.511 -0.289 1
1 19 . 7 1 1 A 11 11 GLU CA C 11 56.356 56.863 -0.507 1
1 20 . 7 1 1 A 11 11 GLU CB C 11 30.439 30.491 -0.052 1
1 22 . 7 1 1 A 11 11 GLU N N 11 121.321 122.576 -1.255 1
1 23 . 7 1 1 A 12 12 HIS H H 12 8.431 8.767 -0.336 1
1 24 . 7 1 1 A 12 12 HIS HA H 12 4.618 5.155 -0.537 1
1 28 . 7 1 1 A 12 12 HIS C C 12 174.980 173.222 1.758 1
1 29 . 7 1 1 A 12 12 HIS CA C 12 55.952 54.831 1.121 1
1 30 . 7 1 1 A 12 12 HIS CB C 12 30.058 33.057 -2.999 1
1 32 . 7 1 1 A 12 12 HIS N N 12 120.447 122.939 -2.492 1
1 33 . 7 1 1 A 13 13 LYS H H 13 8.191 8.062 0.129 1
1 34 . 7 1 1 A 13 13 LYS HA H 13 4.355 4.336 0.019 1
1 43 . 7 1 1 A 13 13 LYS C C 13 175.327 175.930 -0.603 1
1 44 . 7 1 1 A 13 13 LYS CA C 13 55.620 55.888 -0.268 1
1 45 . 7 1 1 A 13 13 LYS CB C 13 33.729 33.250 0.479 1
1 49 . 7 1 1 A 13 13 LYS N N 13 124.365 128.922 -4.557 1
1 50 . 7 1 1 A 14 14 GLN H H 14 8.229 8.566 -0.337 1
1 51 . 7 1 1 A 14 14 GLN HA H 14 4.037 4.770 -0.733 1
1 58 . 7 1 1 A 14 14 GLN C C 14 173.432 174.674 -1.242 1
1 59 . 7 1 1 A 14 14 GLN CA C 14 54.613 54.670 -0.057 1
1 60 . 7 1 1 A 14 14 GLN CB C 14 29.096 30.105 -1.009 1
1 62 . 7 1 1 A 14 14 GLN N N 14 123.823 127.249 -3.426 1
1 64 . 7 1 1 A 15 15 GLN H H 15 7.896 8.665 -0.769 1
1 65 . 7 1 1 A 15 15 GLN HA H 15 5.459 5.302 0.157 1
1 70 . 7 1 1 A 15 15 GLN C C 15 174.263 174.777 -0.514 1
1 71 . 7 1 1 A 15 15 GLN CA C 15 54.506 54.873 -0.367 1
1 72 . 7 1 1 A 15 15 GLN CB C 15 31.418 32.752 -1.334 1
1 74 . 7 1 1 A 15 15 GLN N N 15 121.452 126.592 -5.140 1
1 75 . 7 1 1 A 16 16 GLY H H 16 8.795 8.410 0.385 1
1 76 . 7 1 1 A 16 16 GLY HA2 H 16 4.056 4.195 -0.139 1
1 77 . 7 1 1 A 16 16 GLY HA3 H 16 4.801 4.467 0.334 1
1 78 . 7 1 1 A 16 16 GLY C C 16 171.456 171.513 -0.057 1
1 79 . 7 1 1 A 16 16 GLY CA C 16 44.773 46.238 -1.465 1
1 80 . 7 1 1 A 16 16 GLY N N 16 107.937 111.332 -3.395 1
1 81 . 7 1 1 A 17 17 GLU H H 17 8.718 8.671 0.047 1
1 82 . 7 1 1 A 17 17 GLU HA H 17 5.220 5.336 -0.116 1
1 87 . 7 1 1 A 17 17 GLU C C 17 176.562 174.634 1.928 1
1 88 . 7 1 1 A 17 17 GLU CA C 17 55.880 54.610 1.270 1
1 89 . 7 1 1 A 17 17 GLU CB C 17 30.995 33.579 -2.584 1
1 91 . 7 1 1 A 17 17 GLU N N 17 119.686 122.041 -2.355 1
1 92 . 7 1 1 A 18 18 LEU H H 18 8.806 8.454 0.352 1
1 93 . 7 1 1 A 18 18 LEU HA H 18 4.652 4.599 0.053 1
1 103 . 7 1 1 A 18 18 LEU C C 18 176.851 173.992 2.859 1
1 104 . 7 1 1 A 18 18 LEU CA C 18 53.786 53.598 0.188 1
1 105 . 7 1 1 A 18 18 LEU CB C 18 47.961 45.004 2.957 1
1 109 . 7 1 1 A 18 18 LEU N N 18 122.158 122.557 -0.399 1
1 110 . 7 1 1 A 19 19 TYR H H 19 8.833 8.347 0.486 1
1 111 . 7 1 1 A 19 19 TYR HA H 19 5.837 5.530 0.307 1
1 118 . 7 1 1 A 19 19 TYR C C 19 176.038 175.528 0.510 1
1 119 . 7 1 1 A 19 19 TYR CA C 19 56.750 56.810 -0.060 1
1 120 . 7 1 1 A 19 19 TYR CB C 19 40.531 41.043 -0.512 1
1 125 . 7 1 1 A 19 19 TYR N N 19 117.278 121.818 -4.540 1
1 126 . 7 1 1 A 20 20 MET H H 20 9.743 9.255 0.488 1
1 127 . 7 1 1 A 20 20 MET HA H 20 5.207 5.200 0.007 1
1 135 . 7 1 1 A 20 20 MET C C 20 175.349 175.043 0.306 1
1 136 . 7 1 1 A 20 20 MET CA C 20 54.611 54.471 0.140 1
1 137 . 7 1 1 A 20 20 MET CB C 20 37.352 35.932 1.420 1
1 140 . 7 1 1 A 20 20 MET N N 20 120.128 121.017 -0.889 1
1 141 . 7 1 1 A 21 21 TRP H H 21 8.142 8.424 -0.282 1
1 142 . 7 1 1 A 21 21 TRP HA H 21 4.084 3.925 0.159 1
1 150 . 7 1 1 A 21 21 TRP C C 21 174.752 174.410 0.342 1
1 151 . 7 1 1 A 21 21 TRP CA C 21 56.246 57.960 -1.714 1
1 152 . 7 1 1 A 21 21 TRP CB C 21 29.682 29.545 0.137 1
1 157 . 7 1 1 A 21 21 TRP N N 21 126.799 125.002 1.797 1
1 159 . 7 1 1 A 22 22 ASP H H 22 8.034 7.952 0.082 1
1 160 . 7 1 1 A 22 22 ASP HA H 22 4.417 4.603 -0.186 1
1 163 . 7 1 1 A 22 22 ASP C C 22 175.814 175.308 0.506 1
1 164 . 7 1 1 A 22 22 ASP CA C 22 52.020 52.760 -0.740 1
1 165 . 7 1 1 A 22 22 ASP CB C 22 41.748 41.157 0.591 1
1 166 . 7 1 1 A 22 22 ASP N N 22 129.313 126.597 2.716 1
1 167 . 7 1 1 A 23 23 SER H H 23 8.331 8.625 -0.294 1
1 168 . 7 1 1 A 23 23 SER HA H 23 3.719 4.026 -0.307 1
1 171 . 7 1 1 A 23 23 SER C C 23 175.145 175.243 -0.098 1
1 172 . 7 1 1 A 23 23 SER CA C 23 59.732 58.374 1.358 1
1 173 . 7 1 1 A 23 23 SER CB C 23 63.304 62.843 0.461 1
1 174 . 7 1 1 A 23 23 SER N N 23 119.796 119.643 0.153 1
1 175 . 7 1 1 A 24 24 ILE H H 24 8.044 7.345 0.699 1
1 176 . 7 1 1 A 24 24 ILE HA H 24 3.849 3.919 -0.070 1
1 186 . 7 1 1 A 24 24 ILE C C 24 177.615 177.041 0.574 1
1 187 . 7 1 1 A 24 24 ILE CA C 24 63.257 63.026 0.231 1
1 188 . 7 1 1 A 24 24 ILE CB C 24 36.400 38.919 -2.519 1
1 192 . 7 1 1 A 24 24 ILE N N 24 124.085 119.408 4.677 1
1 193 . 7 1 1 A 25 25 ASP H H 25 7.641 7.772 -0.131 1
1 194 . 7 1 1 A 25 25 ASP HA H 25 4.492 4.643 -0.151 1
1 197 . 7 1 1 A 25 25 ASP C C 25 175.486 175.001 0.485 1
1 198 . 7 1 1 A 25 25 ASP CA C 25 54.313 53.670 0.643 1
1 199 . 7 1 1 A 25 25 ASP CB C 25 40.789 40.965 -0.176 1
1 200 . 7 1 1 A 25 25 ASP N N 25 118.371 118.319 0.052 1
1 201 . 7 1 1 A 26 26 GLN H H 26 7.340 7.267 0.073 1
1 202 . 7 1 1 A 26 26 GLN HA H 26 2.828 3.601 -0.773 1
1 209 . 7 1 1 A 26 26 GLN C C 26 173.882 174.601 -0.719 1
1 210 . 7 1 1 A 26 26 GLN CA C 26 55.956 56.760 -0.804 1
1 211 . 7 1 1 A 26 26 GLN CB C 26 25.070 26.656 -1.586 1
1 213 . 7 1 1 A 26 26 GLN N N 26 116.358 115.890 0.468 1
1 215 . 7 1 1 A 27 27 LYS H H 27 6.283 6.577 -0.294 1
1 216 . 7 1 1 A 27 27 LYS HA H 27 4.395 4.834 -0.439 1
1 225 . 7 1 1 A 27 27 LYS C C 27 173.510 174.215 -0.705 1
1 226 . 7 1 1 A 27 27 LYS CA C 27 54.164 55.119 -0.955 1
1 227 . 7 1 1 A 27 27 LYS CB C 27 35.825 34.188 1.637 1
1 231 . 7 1 1 A 27 27 LYS N N 27 114.611 113.660 0.951 1
1 232 . 7 1 1 A 28 28 TRP H H 28 8.751 8.794 -0.043 1
1 233 . 7 1 1 A 28 28 TRP HA H 28 5.383 5.637 -0.254 1
1 242 . 7 1 1 A 28 28 TRP C C 28 177.411 176.413 0.998 1
1 243 . 7 1 1 A 28 28 TRP CA C 28 55.957 55.747 0.210 1
1 244 . 7 1 1 A 28 28 TRP CB C 28 30.752 31.457 -0.705 1
1 250 . 7 1 1 A 28 28 TRP N N 28 121.520 118.918 2.602 1
1 252 . 7 1 1 A 29 29 THR H H 29 9.413 9.018 0.395 1
1 253 . 7 1 1 A 29 29 THR HA H 29 4.852 4.956 -0.104 1
1 258 . 7 1 1 A 29 29 THR C C 29 173.520 173.004 0.516 1
1 259 . 7 1 1 A 29 29 THR CA C 29 60.308 59.560 0.748 1
1 260 . 7 1 1 A 29 29 THR CB C 29 69.736 71.344 -1.608 1
1 262 . 7 1 1 A 29 29 THR N N 29 117.059 113.455 3.604 1
1 263 . 7 1 1 A 30 30 ARG H H 30 9.117 8.245 0.872 1
1 264 . 7 1 1 A 30 30 ARG HA H 30 4.790 4.169 0.621 1
1 272 . 7 1 1 A 30 30 ARG C C 30 174.447 175.557 -1.110 1
1 273 . 7 1 1 A 30 30 ARG CA C 30 55.949 55.181 0.768 1
1 274 . 7 1 1 A 30 30 ARG CB C 30 33.388 31.084 2.304 1
1 277 . 7 1 1 A 30 30 ARG N N 30 126.027 120.865 5.162 1
1 278 . 7 1 1 A 31 31 HIS H H 31 9.011 8.412 0.599 1
1 279 . 7 1 1 A 31 31 HIS HA H 31 4.636 4.997 -0.361 1
1 282 . 7 1 1 A 31 31 HIS C C 31 173.947 173.685 0.262 1
1 283 . 7 1 1 A 31 31 HIS CA C 31 55.185 53.888 1.297 1
1 284 . 7 1 1 A 31 31 HIS CB C 31 33.332 33.355 -0.023 1
1 285 . 7 1 1 A 31 31 HIS N N 31 121.017 120.628 0.389 1
1 286 . 7 1 1 A 32 32 TYR H H 32 9.361 9.041 0.320 1
1 287 . 7 1 1 A 32 32 TYR HA H 32 4.745 4.753 -0.008 1
1 294 . 7 1 1 A 32 32 TYR C C 32 176.298 174.780 1.518 1
1 295 . 7 1 1 A 32 32 TYR CA C 32 59.316 56.598 2.718 1
1 296 . 7 1 1 A 32 32 TYR CB C 32 39.341 38.652 0.689 1
1 301 . 7 1 1 A 32 32 TYR N N 32 124.440 125.258 -0.818 1
1 302 . 7 1 1 A 33 33 CYS H H 33 8.750 8.323 0.427 1
1 303 . 7 1 1 A 33 33 CYS HA H 33 5.857 5.052 0.805 1
1 306 . 7 1 1 A 33 33 CYS C C 33 172.735 174.084 -1.349 1
1 307 . 7 1 1 A 33 33 CYS CA C 33 57.108 58.050 -0.942 1
1 308 . 7 1 1 A 33 33 CYS CB C 33 32.779 29.319 3.460 1
1 309 . 7 1 1 A 33 33 CYS N N 33 127.462 126.695 0.767 1
1 310 . 7 1 1 A 34 34 ALA H H 34 8.565 8.972 -0.407 1
1 311 . 7 1 1 A 34 34 ALA HA H 34 5.290 4.990 0.300 1
1 315 . 7 1 1 A 34 34 ALA C C 34 176.215 175.701 0.514 1
1 316 . 7 1 1 A 34 34 ALA CA C 34 51.773 52.011 -0.238 1
1 317 . 7 1 1 A 34 34 ALA CB C 34 23.139 21.293 1.846 1
1 318 . 7 1 1 A 34 34 ALA N N 34 121.115 122.681 -1.566 1
1 319 . 7 1 1 A 35 35 ILE H H 35 8.413 8.973 -0.560 1
1 320 . 7 1 1 A 35 35 ILE HA H 35 5.275 4.931 0.344 1
1 330 . 7 1 1 A 35 35 ILE C C 35 175.768 175.013 0.755 1
1 331 . 7 1 1 A 35 35 ILE CA C 35 60.105 60.494 -0.389 1
1 332 . 7 1 1 A 35 35 ILE CB C 35 39.737 38.219 1.518 1
1 336 . 7 1 1 A 35 35 ILE N N 35 120.176 123.649 -3.473 1
1 337 . 7 1 1 A 36 36 ALA H H 36 8.666 8.558 0.108 1
1 338 . 7 1 1 A 36 36 ALA HA H 36 4.581 4.727 -0.146 1
1 342 . 7 1 1 A 36 36 ALA CA C 36 52.028 51.165 0.863 1
1 343 . 7 1 1 A 36 36 ALA CB C 36 21.365 20.635 0.730 1
1 344 . 7 1 1 A 36 36 ALA N N 36 129.732 131.604 -1.872 1
1 345 . 7 1 1 A 37 37 ASP H H 37 9.379 9.061 0.318 1
1 346 . 7 1 1 A 37 37 ASP HA H 37 4.228 4.442 -0.214 1
1 349 . 7 1 1 A 37 37 ASP C C 37 174.579 175.662 -1.083 1
1 350 . 7 1 1 A 37 37 ASP CA C 37 55.822 56.853 -1.031 1
1 351 . 7 1 1 A 37 37 ASP CB C 37 39.784 40.347 -0.563 1
1 352 . 7 1 1 A 37 37 ASP N N 37 124.926 122.680 2.246 1
1 353 . 7 1 1 A 38 38 ALA H H 38 8.710 8.330 0.380 1
1 354 . 7 1 1 A 38 38 ALA HA H 38 3.911 4.483 -0.572 1
1 358 . 7 1 1 A 38 38 ALA C C 38 174.866 176.837 -1.971 1
1 359 . 7 1 1 A 38 38 ALA CA C 38 53.040 51.680 1.360 1
1 360 . 7 1 1 A 38 38 ALA CB C 38 17.654 21.342 -3.688 1
1 361 . 7 1 1 A 38 38 ALA N N 38 115.547 126.418 -10.871 1
1 362 . 7 1 1 A 39 39 LYS H H 39 8.054 7.955 0.099 1
1 363 . 7 1 1 A 39 39 LYS HA H 39 5.247 4.868 0.379 1
1 372 . 7 1 1 A 39 39 LYS C C 39 175.201 174.728 0.473 1
1 373 . 7 1 1 A 39 39 LYS CA C 39 54.583 54.479 0.104 1
1 374 . 7 1 1 A 39 39 LYS CB C 39 34.824 34.404 0.420 1
1 378 . 7 1 1 A 39 39 LYS N N 39 117.589 117.309 0.280 1
1 379 . 7 1 1 A 40 40 LEU H H 40 9.090 8.534 0.556 1
1 380 . 7 1 1 A 40 40 LEU HA H 40 5.353 5.172 0.181 1
1 390 . 7 1 1 A 40 40 LEU C C 40 175.382 175.108 0.274 1
1 391 . 7 1 1 A 40 40 LEU CA C 40 53.987 53.605 0.382 1
1 392 . 7 1 1 A 40 40 LEU CB C 40 45.718 44.793 0.925 1
1 396 . 7 1 1 A 40 40 LEU N N 40 126.300 124.678 1.622 1
1 397 . 7 1 1 A 41 41 SER H H 41 9.539 9.205 0.334 1
1 398 . 7 1 1 A 41 41 SER HA H 41 5.493 5.542 -0.049 1
1 401 . 7 1 1 A 41 41 SER C C 41 173.435 173.770 -0.335 1
1 402 . 7 1 1 A 41 41 SER CA C 41 56.816 56.782 0.034 1
1 403 . 7 1 1 A 41 41 SER CB C 41 65.706 64.385 1.321 1
1 404 . 7 1 1 A 41 41 SER N N 41 123.399 122.105 1.294 1
1 405 . 7 1 1 A 42 42 PHE H H 42 8.344 8.575 -0.231 1
1 406 . 7 1 1 A 42 42 PHE HA H 42 5.888 5.500 0.388 1
1 414 . 7 1 1 A 42 42 PHE C C 42 175.198 174.114 1.084 1
1 415 . 7 1 1 A 42 42 PHE CA C 42 54.335 55.460 -1.125 1
1 416 . 7 1 1 A 42 42 PHE CB C 42 43.360 41.321 2.039 1
1 422 . 7 1 1 A 42 42 PHE N N 42 117.935 122.422 -4.487 1
1 423 . 7 1 1 A 43 43 SER H H 43 8.843 8.701 0.142 1
1 424 . 7 1 1 A 43 43 SER HA H 43 4.918 4.779 0.139 1
1 427 . 7 1 1 A 43 43 SER C C 43 175.040 173.194 1.846 1
1 428 . 7 1 1 A 43 43 SER CA C 43 58.215 56.526 1.689 1
1 429 . 7 1 1 A 43 43 SER CB C 43 66.789 65.246 1.543 1
1 430 . 7 1 1 A 43 43 SER N N 43 117.280 117.204 0.076 1
1 431 . 7 1 1 A 44 44 ASP H H 44 8.818 8.538 0.280 1
1 432 . 7 1 1 A 44 44 ASP HA H 44 4.909 4.613 0.296 1
1 435 . 7 1 1 A 44 44 ASP C C 44 175.955 175.524 0.431 1
1 436 . 7 1 1 A 44 44 ASP CA C 44 54.815 53.822 0.993 1
1 437 . 7 1 1 A 44 44 ASP CB C 44 41.729 41.253 0.476 1
1 438 . 7 1 1 A 44 44 ASP N N 44 120.846 122.682 -1.836 1
1 439 . 7 1 1 A 45 45 ASP H H 45 8.726 8.659 0.067 1
1 440 . 7 1 1 A 45 45 ASP HA H 45 4.273 4.772 -0.499 1
1 443 . 7 1 1 A 45 45 ASP C C 45 177.889 177.853 0.036 1
1 444 . 7 1 1 A 45 45 ASP CA C 45 54.145 54.882 -0.737 1
1 445 . 7 1 1 A 45 45 ASP CB C 45 41.329 40.894 0.435 1
1 446 . 7 1 1 A 45 45 ASP N N 45 120.848 120.373 0.475 1
1 447 . 7 1 1 A 46 46 ILE H H 46 8.369 8.058 0.311 1
1 448 . 7 1 1 A 46 46 ILE HA H 46 4.079 3.941 0.138 1
1 458 . 7 1 1 A 46 46 ILE C C 46 177.339 176.543 0.796 1
1 459 . 7 1 1 A 46 46 ILE CA C 46 62.357 63.352 -0.995 1
1 460 . 7 1 1 A 46 46 ILE CB C 46 38.708 38.048 0.660 1
1 464 . 7 1 1 A 46 46 ILE N N 46 123.832 121.746 2.086 1
1 465 . 7 1 1 A 47 47 GLU H H 47 8.577 8.001 0.576 1
1 466 . 7 1 1 A 47 47 GLU HA H 47 4.258 4.658 -0.400 1
1 471 . 7 1 1 A 47 47 GLU C C 47 177.164 177.191 -0.027 1
1 472 . 7 1 1 A 47 47 GLU CA C 47 57.249 56.745 0.504 1
1 473 . 7 1 1 A 47 47 GLU CB C 47 29.900 31.936 -2.036 1
1 475 . 7 1 1 A 47 47 GLU N N 47 122.294 118.512 3.782 1
1 476 . 7 1 1 A 48 48 GLN H H 48 7.894 7.795 0.099 1
1 477 . 7 1 1 A 48 48 GLN HA H 48 4.365 4.448 -0.083 1
1 484 . 7 1 1 A 48 48 GLN C C 48 176.278 175.171 1.107 1
1 485 . 7 1 1 A 48 48 GLN CA C 48 55.830 55.330 0.500 1
1 486 . 7 1 1 A 48 48 GLN CB C 48 29.383 29.021 0.362 1
1 488 . 7 1 1 A 48 48 GLN N N 48 118.968 117.598 1.370 1
1 490 . 7 1 1 A 49 49 THR H H 49 8.048 7.470 0.578 1
1 491 . 7 1 1 A 49 49 THR HA H 49 4.331 4.134 0.197 1
1 496 . 7 1 1 A 49 49 THR C C 49 174.784 174.766 0.018 1
1 497 . 7 1 1 A 49 49 THR CA C 49 62.135 62.544 -0.409 1
1 498 . 7 1 1 A 49 49 THR CB C 49 69.736 69.322 0.414 1
1 500 . 7 1 1 A 49 49 THR N N 49 114.601 113.151 1.450 1
1 501 . 7 1 1 A 50 50 MET H H 50 8.409 8.762 -0.353 1
1 502 . 7 1 1 A 50 50 MET HA H 50 4.510 4.632 -0.122 1
1 510 . 7 1 1 A 50 50 MET C C 50 176.451 176.253 0.198 1
1 511 . 7 1 1 A 50 50 MET CA C 50 55.601 54.505 1.096 1
1 512 . 7 1 1 A 50 50 MET CB C 50 32.850 31.611 1.239 1
1 515 . 7 1 1 A 50 50 MET N N 50 122.660 124.240 -1.580 1
1 516 . 7 1 1 A 51 51 GLU H H 51 8.418 7.907 0.511 1
1 517 . 7 1 1 A 51 51 GLU HA H 51 4.272 4.372 -0.100 1
1 522 . 7 1 1 A 51 51 GLU C C 51 176.777 176.339 0.438 1
1 523 . 7 1 1 A 51 51 GLU CA C 51 56.680 56.556 0.124 1
1 524 . 7 1 1 A 51 51 GLU CB C 51 30.262 30.719 -0.457 1
1 526 . 7 1 1 A 51 51 GLU N N 51 121.650 119.909 1.741 1
1 527 . 7 1 1 A 52 52 GLU H H 52 8.325 8.561 -0.236 1
1 528 . 7 1 1 A 52 52 GLU HA H 52 4.174 4.647 -0.473 1
1 533 . 7 1 1 A 52 52 GLU C C 52 176.178 176.067 0.111 1
1 534 . 7 1 1 A 52 52 GLU N N 52 120.869 125.152 -4.283 1
1 535 . 7 1 1 A 53 53 ASP H H 53 8.320 9.036 -0.716 1
1 536 . 7 1 1 A 53 53 ASP HA H 53 4.527 4.501 0.026 1
1 539 . 7 1 1 A 53 53 ASP C C 53 175.650 175.434 0.216 1
1 540 . 7 1 1 A 53 53 ASP CA C 53 54.322 55.678 -1.356 1
1 541 . 7 1 1 A 53 53 ASP CB C 53 41.040 40.563 0.477 1
1 542 . 7 1 1 A 53 53 ASP N N 53 119.656 120.225 -0.569 1
1 543 . 7 1 1 A 54 54 ASN H H 54 8.134 8.203 -0.069 1
1 544 . 7 1 1 A 54 54 ASN HA H 54 4.970 5.213 -0.243 1
1 549 . 7 1 1 A 54 54 ASN CA C 54 51.120 50.564 0.556 1
1 550 . 7 1 1 A 54 54 ASN CB C 54 39.125 39.265 -0.140 1
1 551 . 7 1 1 A 54 54 ASN N N 54 118.436 116.157 2.279 1
1 553 . 7 1 1 A 55 55 PRO HA H 55 4.394 4.410 -0.016 1
1 560 . 7 1 1 A 55 55 PRO C C 55 177.514 177.550 -0.036 1
1 561 . 7 1 1 A 55 55 PRO CA C 55 63.910 64.049 -0.139 1
1 562 . 7 1 1 A 55 55 PRO CB C 55 32.077 31.782 0.295 1
1 565 . 7 1 1 A 56 56 LEU H H 56 8.181 7.894 0.287 1
1 566 . 7 1 1 A 56 56 LEU HA H 56 4.268 4.073 0.195 1
1 576 . 7 1 1 A 56 56 LEU C C 56 178.176 176.867 1.309 1
1 577 . 7 1 1 A 56 56 LEU CA C 56 55.542 57.512 -1.970 1
1 578 . 7 1 1 A 56 56 LEU CB C 56 41.783 42.526 -0.743 1
1 582 . 7 1 1 A 56 56 LEU N N 56 120.122 117.758 2.364 1
1 583 . 7 1 1 A 57 57 GLY H H 57 8.071 7.739 0.332 1
1 584 . 7 1 1 A 57 57 GLY HA2 H 57 3.946 3.942 0.004 1
1 585 . 7 1 1 A 57 57 GLY HA3 H 57 3.946 3.948 -0.002 1
1 586 . 7 1 1 A 57 57 GLY C C 57 174.306 172.964 1.342 1
1 587 . 7 1 1 A 57 57 GLY CA C 57 45.460 44.793 0.667 1
1 588 . 7 1 1 A 57 57 GLY N N 57 108.437 106.514 1.923 1
1 589 . 7 1 1 A 58 58 SER H H 58 8.170 8.042 0.128 1
1 590 . 7 1 1 A 58 58 SER HA H 58 4.460 5.271 -0.811 1
1 593 . 7 1 1 A 58 58 SER C C 58 174.785 172.795 1.990 1
1 594 . 7 1 1 A 58 58 SER CA C 58 58.319 56.683 1.636 1
1 595 . 7 1 1 A 58 58 SER CB C 58 63.792 66.791 -2.999 1
1 596 . 7 1 1 A 58 58 SER N N 58 115.478 111.700 3.778 1
1 597 . 7 1 1 A 59 59 LEU H H 59 8.278 8.533 -0.255 1
1 598 . 7 1 1 A 59 59 LEU HA H 59 4.384 4.683 -0.299 1
1 608 . 7 1 1 A 59 59 LEU CA C 59 55.219 53.835 1.384 1
1 609 . 7 1 1 A 59 59 LEU CB C 59 42.377 43.313 -0.936 1
1 613 . 7 1 1 A 59 59 LEU N N 59 124.033 119.981 4.052 1
1 614 . 7 1 1 A 60 60 CYS H H 60 8.331 8.915 -0.584 1
1 615 . 7 1 1 A 60 60 CYS HA H 60 4.398 4.173 0.225 1
1 618 . 7 1 1 A 60 60 CYS C C 60 174.142 174.759 -0.617 1
1 619 . 7 1 1 A 60 60 CYS CA C 60 58.505 59.805 -1.300 1
1 620 . 7 1 1 A 60 60 CYS CB C 60 27.338 25.447 1.891 1
1 621 . 7 1 1 A 60 60 CYS N N 60 120.390 120.847 -0.457 1
1 622 . 7 1 1 A 61 61 ARG H H 61 8.632 8.378 0.254 1
1 623 . 7 1 1 A 61 61 ARG HA H 61 4.337 4.234 0.103 1
1 630 . 7 1 1 A 61 61 ARG C C 61 176.096 175.766 0.330 1
1 631 . 7 1 1 A 61 61 ARG CA C 61 56.003 56.732 -0.729 1
1 632 . 7 1 1 A 61 61 ARG CB C 61 30.757 31.890 -1.133 1
1 635 . 7 1 1 A 61 61 ARG N N 61 125.869 124.976 0.893 1
1 636 . 7 1 1 A 62 62 GLY H H 62 7.263 6.700 0.563 1
1 637 . 7 1 1 A 62 62 GLY HA2 H 62 3.008 3.418 -0.410 1
1 638 . 7 1 1 A 62 62 GLY HA3 H 62 3.875 3.801 0.074 1
1 639 . 7 1 1 A 62 62 GLY C C 62 170.609 171.017 -0.408 1
1 640 . 7 1 1 A 62 62 GLY CA C 62 44.808 44.944 -0.136 1
1 641 . 7 1 1 A 62 62 GLY N N 62 107.908 105.551 2.357 1
1 642 . 7 1 1 A 63 63 ILE H H 63 7.895 8.610 -0.715 1
1 643 . 7 1 1 A 63 63 ILE HA H 63 4.843 5.041 -0.198 1
1 653 . 7 1 1 A 63 63 ILE C C 63 175.450 174.427 1.023 1
1 654 . 7 1 1 A 63 63 ILE CA C 63 60.322 59.436 0.886 1
1 655 . 7 1 1 A 63 63 ILE CB C 63 41.957 40.788 1.169 1
1 659 . 7 1 1 A 63 63 ILE N N 63 117.987 121.725 -3.738 1
1 660 . 7 1 1 A 64 64 LEU H H 64 9.429 9.318 0.111 1
1 661 . 7 1 1 A 64 64 LEU HA H 64 4.916 5.106 -0.190 1
1 671 . 7 1 1 A 64 64 LEU C C 64 176.136 175.018 1.118 1
1 672 . 7 1 1 A 64 64 LEU CA C 64 53.059 53.616 -0.557 1
1 673 . 7 1 1 A 64 64 LEU CB C 64 43.788 44.423 -0.635 1
1 677 . 7 1 1 A 64 64 LEU N N 64 127.063 129.052 -1.989 1
1 678 . 7 1 1 A 65 65 ASP H H 65 9.241 9.175 0.066 1
1 679 . 7 1 1 A 65 65 ASP HA H 65 4.818 4.723 0.095 1
1 682 . 7 1 1 A 65 65 ASP C C 65 177.925 176.430 1.495 1
1 683 . 7 1 1 A 65 65 ASP CA C 65 53.628 54.436 -0.808 1
1 684 . 7 1 1 A 65 65 ASP CB C 65 40.307 40.380 -0.073 1
1 685 . 7 1 1 A 65 65 ASP N N 65 122.728 126.994 -4.266 1
1 686 . 7 1 1 A 66 66 LEU H H 66 8.766 8.576 0.190 1
1 687 . 7 1 1 A 66 66 LEU HA H 66 4.212 4.511 -0.299 1
1 697 . 7 1 1 A 66 66 LEU C C 66 177.167 177.422 -0.255 1
1 698 . 7 1 1 A 66 66 LEU CA C 66 57.854 55.157 2.697 1
1 699 . 7 1 1 A 66 66 LEU CB C 66 41.006 41.306 -0.300 1
1 703 . 7 1 1 A 66 66 LEU N N 66 126.997 125.913 1.084 1
1 704 . 7 1 1 A 67 67 ASN H H 67 8.585 8.008 0.577 1
1 705 . 7 1 1 A 67 67 ASN HA H 67 4.721 4.981 -0.260 1
1 710 . 7 1 1 A 67 67 ASN C C 67 176.583 175.577 1.006 1
1 711 . 7 1 1 A 67 67 ASN CA C 67 55.648 53.353 2.295 1
1 712 . 7 1 1 A 67 67 ASN CB C 67 38.464 40.260 -1.796 1
1 713 . 7 1 1 A 67 67 ASN N N 67 113.883 116.448 -2.565 1
1 715 . 7 1 1 A 68 68 THR H H 68 8.007 7.727 0.280 1
1 716 . 7 1 1 A 68 68 THR HA H 68 4.513 4.625 -0.112 1
1 721 . 7 1 1 A 68 68 THR C C 68 172.870 173.580 -0.710 1
1 722 . 7 1 1 A 68 68 THR CA C 68 61.441 60.318 1.123 1
1 723 . 7 1 1 A 68 68 THR CB C 68 69.432 68.809 0.623 1
1 725 . 7 1 1 A 68 68 THR N N 68 108.340 107.295 1.045 1
1 726 . 7 1 1 A 69 69 TYR H H 69 7.560 8.010 -0.450 1
1 727 . 7 1 1 A 69 69 TYR HA H 69 5.199 5.477 -0.278 1
1 734 . 7 1 1 A 69 69 TYR C C 69 174.283 174.537 -0.254 1
1 735 . 7 1 1 A 69 69 TYR CA C 69 57.848 56.371 1.477 1
1 736 . 7 1 1 A 69 69 TYR CB C 69 44.393 43.567 0.826 1
1 741 . 7 1 1 A 69 69 TYR N N 69 119.888 121.549 -1.661 1
1 742 . 7 1 1 A 70 70 ASN H H 70 9.116 9.047 0.069 1
1 743 . 7 1 1 A 70 70 ASN HA H 70 5.162 5.460 -0.298 1
1 748 . 7 1 1 A 70 70 ASN C C 70 174.340 174.347 -0.007 1
1 749 . 7 1 1 A 70 70 ASN CA C 70 52.364 52.475 -0.111 1
1 750 . 7 1 1 A 70 70 ASN CB C 70 42.062 42.819 -0.757 1
1 751 . 7 1 1 A 70 70 ASN N N 70 116.071 117.692 -1.621 1
1 753 . 7 1 1 A 71 71 VAL H H 71 8.564 9.076 -0.512 1
1 754 . 7 1 1 A 71 71 VAL HA H 71 5.766 4.876 0.890 1
1 762 . 7 1 1 A 71 71 VAL C C 71 173.261 175.724 -2.463 1
1 763 . 7 1 1 A 71 71 VAL CA C 71 59.076 62.005 -2.929 1
1 764 . 7 1 1 A 71 71 VAL CB C 71 34.982 32.727 2.255 1
1 767 . 7 1 1 A 71 71 VAL N N 71 120.784 124.815 -4.031 1
1 768 . 7 1 1 A 72 72 VAL H H 72 9.308 8.800 0.508 1
1 769 . 7 1 1 A 72 72 VAL HA H 72 4.806 4.677 0.129 1
1 777 . 7 1 1 A 72 72 VAL C C 72 175.047 173.668 1.379 1
1 778 . 7 1 1 A 72 72 VAL CA C 72 60.330 59.214 1.116 1
1 779 . 7 1 1 A 72 72 VAL CB C 72 36.467 35.257 1.210 1
1 782 . 7 1 1 A 72 72 VAL N N 72 125.272 121.058 4.214 1
1 783 . 7 1 1 A 73 73 LYS H H 73 8.793 8.207 0.586 1
1 784 . 7 1 1 A 73 73 LYS HA H 73 4.652 2.968 1.684 1
1 793 . 7 1 1 A 73 73 LYS C C 73 176.241 174.322 1.919 1
1 794 . 7 1 1 A 73 73 LYS CA C 73 55.799 55.372 0.427 1
1 795 . 7 1 1 A 73 73 LYS CB C 73 33.452 32.260 1.192 1
1 799 . 7 1 1 A 73 73 LYS N N 73 124.197 124.546 -0.349 1
1 800 . 7 1 1 A 74 74 ALA H H 74 8.172 8.668 -0.496 1
1 801 . 7 1 1 A 74 74 ALA HA H 74 4.849 4.608 0.241 1
1 805 . 7 1 1 A 74 74 ALA CA C 74 49.540 49.692 -0.152 1
1 806 . 7 1 1 A 74 74 ALA CB C 74 17.685 19.827 -2.142 1
1 807 . 7 1 1 A 74 74 ALA N N 74 128.026 129.117 -1.091 1
1 808 . 7 1 1 A 75 75 PRO HA H 75 4.351 4.595 -0.244 1
1 815 . 7 1 1 A 75 75 PRO CA C 75 65.256 62.602 2.654 1
1 816 . 7 1 1 A 75 75 PRO CB C 75 32.158 32.837 -0.679 1
1 819 . 7 1 1 A 76 76 GLN H H 76 8.660 9.061 -0.401 1
1 820 . 7 1 1 A 76 76 GLN HA H 76 4.561 3.944 0.617 1
1 825 . 7 1 1 A 76 76 GLN C C 76 176.426 176.006 0.420 1
1 826 . 7 1 1 A 76 76 GLN CA C 76 55.168 57.253 -2.085 1
1 827 . 7 1 1 A 76 76 GLN CB C 76 28.925 26.901 2.024 1
1 829 . 7 1 1 A 76 76 GLN N N 76 116.110 115.550 0.560 1
1 830 . 7 1 1 A 77 77 GLY H H 77 7.527 8.137 -0.610 1
1 831 . 7 1 1 A 77 77 GLY HA2 H 77 3.382 3.871 -0.489 1
1 832 . 7 1 1 A 77 77 GLY HA3 H 77 4.505 3.901 0.604 1
1 833 . 7 1 1 A 77 77 GLY C C 77 172.487 174.581 -2.094 1
1 834 . 7 1 1 A 77 77 GLY CA C 77 44.852 46.117 -1.265 1
1 835 . 7 1 1 A 77 77 GLY N N 77 107.608 106.264 1.344 1
1 836 . 7 1 1 A 78 78 LYS H H 78 8.123 8.610 -0.487 1
1 837 . 7 1 1 A 78 78 LYS HA H 78 4.191 4.512 -0.321 1
1 846 . 7 1 1 A 78 78 LYS C C 78 175.300 178.059 -2.759 1
1 847 . 7 1 1 A 78 78 LYS CA C 78 56.737 57.574 -0.837 1
1 848 . 7 1 1 A 78 78 LYS CB C 78 35.900 34.946 0.954 1
1 852 . 7 1 1 A 78 78 LYS N N 78 117.756 123.677 -5.921 1
1 853 . 7 1 1 A 79 79 ASN H H 79 9.105 8.757 0.348 1
1 854 . 7 1 1 A 79 79 ASN HA H 79 4.099 4.675 -0.576 1
1 859 . 7 1 1 A 79 79 ASN C C 79 175.098 176.679 -1.581 1
1 860 . 7 1 1 A 79 79 ASN CA C 79 54.563 54.593 -0.030 1
1 861 . 7 1 1 A 79 79 ASN CB C 79 37.353 39.205 -1.852 1
1 862 . 7 1 1 A 79 79 ASN N N 79 120.643 116.042 4.601 1
1 864 . 7 1 1 A 80 80 GLN H H 80 8.608 8.491 0.117 1
1 865 . 7 1 1 A 80 80 GLN HA H 80 3.648 4.572 -0.924 1
1 870 . 7 1 1 A 80 80 GLN C C 80 175.327 175.221 0.106 1
1 871 . 7 1 1 A 80 80 GLN CA C 80 57.975 55.563 2.412 1
1 872 . 7 1 1 A 80 80 GLN CB C 80 26.506 30.267 -3.761 1
1 874 . 7 1 1 A 80 80 GLN N N 80 108.385 113.811 -5.426 1
1 875 . 7 1 1 A 81 81 LYS H H 81 7.608 7.750 -0.142 1
1 876 . 7 1 1 A 81 81 LYS HA H 81 4.325 4.491 -0.166 1
1 885 . 7 1 1 A 81 81 LYS C C 81 176.242 176.649 -0.407 1
1 886 . 7 1 1 A 81 81 LYS CA C 81 54.186 54.515 -0.329 1
1 887 . 7 1 1 A 81 81 LYS CB C 81 33.385 34.292 -0.907 1
1 891 . 7 1 1 A 81 81 LYS N N 81 119.675 119.899 -0.224 1
1 892 . 7 1 1 A 82 82 SER H H 82 7.692 8.668 -0.976 1
1 893 . 7 1 1 A 82 82 SER HA H 82 3.850 4.355 -0.505 1
1 896 . 7 1 1 A 82 82 SER C C 82 174.045 172.799 1.246 1
1 897 . 7 1 1 A 82 82 SER CA C 82 60.984 58.894 2.090 1
1 898 . 7 1 1 A 82 82 SER CB C 82 62.962 65.203 -2.241 1
1 899 . 7 1 1 A 82 82 SER N N 82 117.008 117.386 -0.378 1
1 900 . 7 1 1 A 83 83 PHE H H 83 8.545 7.602 0.943 1
1 901 . 7 1 1 A 83 83 PHE HA H 83 4.921 5.320 -0.399 1
1 908 . 7 1 1 A 83 83 PHE C C 83 172.686 174.670 -1.984 1
1 909 . 7 1 1 A 83 83 PHE CA C 83 55.383 56.718 -1.335 1
1 910 . 7 1 1 A 83 83 PHE CB C 83 37.774 40.612 -2.838 1
1 915 . 7 1 1 A 83 83 PHE N N 83 124.073 118.085 5.988 1
1 916 . 7 1 1 A 84 84 VAL H H 84 8.420 8.818 -0.398 1
1 917 . 7 1 1 A 84 84 VAL HA H 84 5.348 5.168 0.180 1
1 925 . 7 1 1 A 84 84 VAL C C 84 175.816 174.818 0.998 1
1 926 . 7 1 1 A 84 84 VAL CA C 84 60.177 60.902 -0.725 1
1 927 . 7 1 1 A 84 84 VAL CB C 84 37.646 35.655 1.991 1
1 930 . 7 1 1 A 84 84 VAL N N 84 123.085 123.062 0.023 1
1 931 . 7 1 1 A 85 85 PHE H H 85 8.812 9.026 -0.214 1
1 932 . 7 1 1 A 85 85 PHE HA H 85 5.510 5.268 0.242 1
1 940 . 7 1 1 A 85 85 PHE C C 85 171.610 174.621 -3.011 1
1 941 . 7 1 1 A 85 85 PHE CA C 85 55.360 55.957 -0.597 1
1 942 . 7 1 1 A 85 85 PHE CB C 85 41.424 41.208 0.216 1
1 948 . 7 1 1 A 85 85 PHE N N 85 122.454 124.972 -2.518 1
1 949 . 7 1 1 A 86 86 ILE H H 86 9.406 9.058 0.348 1
1 950 . 7 1 1 A 86 86 ILE HA H 86 4.844 5.003 -0.159 1
1 960 . 7 1 1 A 86 86 ILE C C 86 175.559 174.903 0.656 1
1 961 . 7 1 1 A 86 86 ILE CA C 86 60.323 60.297 0.026 1
1 962 . 7 1 1 A 86 86 ILE CB C 86 42.374 40.296 2.078 1
1 966 . 7 1 1 A 86 86 ILE N N 86 120.483 123.509 -3.026 1
1 967 . 7 1 1 A 87 87 LEU H H 87 9.450 9.138 0.312 1
1 968 . 7 1 1 A 87 87 LEU HA H 87 5.238 5.619 -0.381 1
1 978 . 7 1 1 A 87 87 LEU C C 87 175.145 175.818 -0.673 1
1 979 . 7 1 1 A 87 87 LEU CA C 87 52.778 53.057 -0.279 1
1 980 . 7 1 1 A 87 87 LEU CB C 87 40.657 43.941 -3.284 1
1 984 . 7 1 1 A 87 87 LEU N N 87 126.149 127.107 -0.958 1
1 985 . 7 1 1 A 88 88 GLU H H 88 9.120 9.261 -0.141 1
1 986 . 7 1 1 A 88 88 GLU HA H 88 4.986 4.941 0.045 1
1 991 . 7 1 1 A 88 88 GLU CA C 88 52.677 52.782 -0.105 1
1 992 . 7 1 1 A 88 88 GLU CB C 88 31.511 30.691 0.820 1
1 994 . 7 1 1 A 88 88 GLU N N 88 126.028 123.903 2.125 1
1 995 . 7 1 1 A 89 89 PRO HA H 89 4.239 3.840 0.399 1
1 1002 . 7 1 1 A 89 89 PRO C C 89 177.398 176.848 0.550 1
1 1003 . 7 1 1 A 89 89 PRO CA C 89 63.214 62.539 0.675 1
1 1004 . 7 1 1 A 89 89 PRO CB C 89 32.855 32.413 0.442 1
1 1007 . 7 1 1 A 90 90 LYS H H 90 8.166 8.586 -0.420 1
1 1008 . 7 1 1 A 90 90 LYS HA H 90 4.041 4.498 -0.457 1
1 1017 . 7 1 1 A 90 90 LYS C C 90 177.384 177.096 0.288 1
1 1018 . 7 1 1 A 90 90 LYS CA C 90 58.404 55.974 2.430 1
1 1019 . 7 1 1 A 90 90 LYS CB C 90 33.133 32.975 0.158 1
1 1023 . 7 1 1 A 90 90 LYS N N 90 121.350 120.932 0.418 1
1 1024 . 7 1 1 A 91 91 GLN H H 91 8.252 7.829 0.423 1
1 1025 . 7 1 1 A 91 91 GLN HA H 91 4.423 4.048 0.375 1
1 1032 . 7 1 1 A 91 91 GLN C C 91 175.039 176.353 -1.314 1
1 1033 . 7 1 1 A 91 91 GLN CA C 91 54.303 58.396 -4.093 1
1 1034 . 7 1 1 A 91 91 GLN CB C 91 29.208 28.971 0.237 1
1 1036 . 7 1 1 A 91 91 GLN N N 91 118.759 119.727 -0.968 1
1 1038 . 7 1 1 A 92 92 GLN H H 92 8.460 7.430 1.030 1
1 1039 . 7 1 1 A 92 92 GLN HA H 92 4.057 4.583 -0.526 1
1 1044 . 7 1 1 A 92 92 GLN C C 92 177.080 176.044 1.036 1
1 1045 . 7 1 1 A 92 92 GLN CA C 92 57.446 57.202 0.244 1
1 1046 . 7 1 1 A 92 92 GLN CB C 92 28.472 30.552 -2.080 1
1 1048 . 7 1 1 A 92 92 GLN N N 92 124.928 114.697 10.231 1
1 1049 . 7 1 1 A 93 93 GLY H H 93 8.870 7.990 0.880 1
1 1050 . 7 1 1 A 93 93 GLY HA2 H 93 3.639 4.057 -0.418 1
1 1051 . 7 1 1 A 93 93 GLY HA3 H 93 4.338 4.062 0.276 1
1 1052 . 7 1 1 A 93 93 GLY C C 93 174.298 173.823 0.475 1
1 1053 . 7 1 1 A 93 93 GLY CA C 93 45.336 45.614 -0.278 1
1 1054 . 7 1 1 A 93 93 GLY N N 93 113.393 106.528 6.865 1
1 1055 . 7 1 1 A 94 94 ASP H H 94 7.546 7.551 -0.005 1
1 1056 . 7 1 1 A 94 94 ASP HA H 94 5.056 4.820 0.236 1
1 1059 . 7 1 1 A 94 94 ASP CA C 94 52.662 52.549 0.113 1
1 1060 . 7 1 1 A 94 94 ASP CB C 94 40.179 39.528 0.651 1
1 1061 . 7 1 1 A 94 94 ASP N N 94 123.111 119.975 3.136 1
1 1062 . 7 1 1 A 95 95 PRO HA H 95 4.933 4.748 0.185 1
1 1069 . 7 1 1 A 95 95 PRO CA C 95 61.243 61.477 -0.234 1
1 1070 . 7 1 1 A 95 95 PRO CB C 95 31.234 31.898 -0.664 1
1 1073 . 7 1 1 A 96 96 PRO HA H 96 5.190 5.055 0.135 1
1 1080 . 7 1 1 A 96 96 PRO C C 96 176.664 175.495 1.169 1
1 1081 . 7 1 1 A 96 96 PRO CA C 96 62.399 62.471 -0.072 1
1 1082 . 7 1 1 A 96 96 PRO CB C 96 32.850 33.038 -0.188 1
1 1085 . 7 1 1 A 97 97 VAL H H 97 8.448 8.289 0.159 1
1 1086 . 7 1 1 A 97 97 VAL HA H 97 4.145 4.748 -0.603 1
1 1094 . 7 1 1 A 97 97 VAL C C 97 174.020 174.770 -0.750 1
1 1095 . 7 1 1 A 97 97 VAL CA C 97 61.710 60.702 1.008 1
1 1096 . 7 1 1 A 97 97 VAL CB C 97 33.977 36.016 -2.039 1
1 1099 . 7 1 1 A 97 97 VAL N N 97 121.904 119.880 2.024 1
1 1100 . 7 1 1 A 98 98 GLU H H 98 8.599 8.819 -0.220 1
1 1101 . 7 1 1 A 98 98 GLU HA H 98 4.778 5.251 -0.473 1
1 1106 . 7 1 1 A 98 98 GLU C C 98 173.807 175.831 -2.024 1
1 1107 . 7 1 1 A 98 98 GLU CA C 98 55.674 55.119 0.555 1
1 1108 . 7 1 1 A 98 98 GLU CB C 98 30.827 32.596 -1.769 1
1 1110 . 7 1 1 A 98 98 GLU N N 98 126.577 126.121 0.456 1
1 1111 . 7 1 1 A 99 99 PHE H H 99 8.701 9.147 -0.446 1
1 1112 . 7 1 1 A 99 99 PHE HA H 99 5.773 5.914 -0.141 1
1 1120 . 7 1 1 A 99 99 PHE C C 99 174.648 174.975 -0.327 1
1 1121 . 7 1 1 A 99 99 PHE CA C 99 55.799 57.048 -1.249 1
1 1122 . 7 1 1 A 99 99 PHE CB C 99 44.025 44.337 -0.312 1
1 1128 . 7 1 1 A 99 99 PHE N N 99 120.755 121.324 -0.569 1
1 1129 . 7 1 1 A 100 100 ALA H H 100 8.737 8.801 -0.064 1
1 1130 . 7 1 1 A 100 100 ALA HA H 100 5.669 5.229 0.440 1
1 1134 . 7 1 1 A 100 100 ALA C C 100 176.491 176.300 0.191 1
1 1135 . 7 1 1 A 100 100 ALA CA C 100 49.850 51.598 -1.748 1
1 1136 . 7 1 1 A 100 100 ALA CB C 100 23.399 22.931 0.468 1
1 1137 . 7 1 1 A 100 100 ALA N N 100 118.211 122.020 -3.809 1
1 1138 . 7 1 1 A 101 101 THR H H 101 8.272 8.661 -0.389 1
1 1139 . 7 1 1 A 101 101 THR HA H 101 5.232 4.922 0.310 1
1 1144 . 7 1 1 A 101 101 THR C C 101 174.787 173.450 1.337 1
1 1145 . 7 1 1 A 101 101 THR CA C 101 59.068 60.437 -1.369 1
1 1146 . 7 1 1 A 101 101 THR CB C 101 70.089 71.725 -1.636 1
1 1148 . 7 1 1 A 101 101 THR N N 101 108.062 109.673 -1.611 1
1 1149 . 7 1 1 A 102 102 ASP H H 102 8.625 8.648 -0.023 1
1 1150 . 7 1 1 A 102 102 ASP HA H 102 5.009 4.901 0.108 1
1 1153 . 7 1 1 A 102 102 ASP C C 102 177.730 175.388 2.342 1
1 1154 . 7 1 1 A 102 102 ASP CA C 102 56.976 53.972 3.004 1
1 1155 . 7 1 1 A 102 102 ASP CB C 102 42.543 42.678 -0.135 1
1 1156 . 7 1 1 A 102 102 ASP N N 102 118.482 118.133 0.349 1
1 1157 . 7 1 1 A 103 103 ARG H H 103 8.208 7.474 0.734 1
1 1158 . 7 1 1 A 103 103 ARG HA H 103 4.772 4.917 -0.145 1
1 1165 . 7 1 1 A 103 103 ARG C C 103 178.000 176.180 1.820 1
1 1166 . 7 1 1 A 103 103 ARG CA C 103 54.079 53.937 0.142 1
1 1167 . 7 1 1 A 103 103 ARG CB C 103 33.914 34.449 -0.535 1
1 1170 . 7 1 1 A 103 103 ARG N N 103 116.043 117.940 -1.897 1
1 1171 . 7 1 1 A 104 104 VAL H H 104 8.516 9.067 -0.551 1
1 1172 . 7 1 1 A 104 104 VAL HA H 104 2.857 3.518 -0.661 1
1 1180 . 7 1 1 A 104 104 VAL C C 104 176.158 177.449 -1.291 1
1 1181 . 7 1 1 A 104 104 VAL CA C 104 64.625 66.365 -1.740 1
1 1182 . 7 1 1 A 104 104 VAL CB C 104 30.883 31.866 -0.983 1
1 1185 . 7 1 1 A 104 104 VAL N N 104 128.496 121.639 6.857 1
1 1186 . 7 1 1 A 105 105 GLU H H 105 9.414 8.365 1.049 1
1 1187 . 7 1 1 A 105 105 GLU HA H 105 3.989 4.009 -0.020 1
1 1192 . 7 1 1 A 105 105 GLU C C 105 179.982 179.528 0.454 1
1 1193 . 7 1 1 A 105 105 GLU CA C 105 60.599 59.756 0.843 1
1 1194 . 7 1 1 A 105 105 GLU CB C 105 27.973 29.528 -1.555 1
1 1196 . 7 1 1 A 105 105 GLU N N 105 121.934 118.635 3.299 1
1 1197 . 7 1 1 A 106 106 GLU H H 106 6.769 8.298 -1.529 1
1 1198 . 7 1 1 A 106 106 GLU HA H 106 4.370 4.019 0.351 1
1 1203 . 7 1 1 A 106 106 GLU C C 106 178.312 179.167 -0.855 1
1 1204 . 7 1 1 A 106 106 GLU CA C 106 58.503 59.285 -0.782 1
1 1205 . 7 1 1 A 106 106 GLU CB C 106 30.657 28.722 1.935 1
1 1207 . 7 1 1 A 106 106 GLU N N 106 116.721 120.864 -4.143 1
1 1208 . 7 1 1 A 107 107 LEU H H 107 7.161 7.526 -0.365 1
1 1209 . 7 1 1 A 107 107 LEU HA H 107 4.040 4.008 0.032 1
1 1219 . 7 1 1 A 107 107 LEU C C 107 177.985 178.447 -0.462 1
1 1220 . 7 1 1 A 107 107 LEU CA C 107 58.930 58.203 0.727 1
1 1221 . 7 1 1 A 107 107 LEU CB C 107 40.058 41.969 -1.911 1
1 1225 . 7 1 1 A 107 107 LEU N N 107 122.171 121.869 0.302 1
1 1226 . 7 1 1 A 108 108 PHE H H 108 7.986 8.318 -0.332 1
1 1227 . 7 1 1 A 108 108 PHE HA H 108 4.199 4.154 0.045 1
1 1234 . 7 1 1 A 108 108 PHE C C 108 178.069 178.105 -0.036 1
1 1235 . 7 1 1 A 108 108 PHE CA C 108 61.167 60.945 0.222 1
1 1236 . 7 1 1 A 108 108 PHE CB C 108 38.208 37.958 0.250 1
1 1241 . 7 1 1 A 108 108 PHE N N 108 116.696 117.582 -0.886 1
1 1242 . 7 1 1 A 109 109 GLU H H 109 7.719 8.655 -0.936 1
1 1243 . 7 1 1 A 109 109 GLU HA H 109 3.951 4.026 -0.075 1
1 1248 . 7 1 1 A 109 109 GLU C C 109 179.858 179.034 0.824 1
1 1249 . 7 1 1 A 109 109 GLU CA C 109 59.664 59.099 0.565 1
1 1250 . 7 1 1 A 109 109 GLU CB C 109 29.923 29.624 0.299 1
1 1252 . 7 1 1 A 109 109 GLU N N 109 119.214 120.508 -1.294 1
1 1253 . 7 1 1 A 110 110 TRP H H 110 8.445 8.049 0.396 1
1 1254 . 7 1 1 A 110 110 TRP HA H 110 3.634 4.256 -0.622 1
1 1263 . 7 1 1 A 110 110 TRP C C 110 177.691 178.937 -1.246 1
1 1264 . 7 1 1 A 110 110 TRP CA C 110 62.078 60.200 1.878 1
1 1265 . 7 1 1 A 110 110 TRP CB C 110 29.275 29.247 0.028 1
1 1271 . 7 1 1 A 110 110 TRP N N 110 120.045 120.712 -0.667 1
1 1273 . 7 1 1 A 111 111 PHE H H 111 8.668 7.933 0.735 1
1 1274 . 7 1 1 A 111 111 PHE HA H 111 3.436 4.171 -0.735 1
1 1282 . 7 1 1 A 111 111 PHE C C 111 176.547 177.895 -1.348 1
1 1283 . 7 1 1 A 111 111 PHE CA C 111 62.182 61.172 1.010 1
1 1284 . 7 1 1 A 111 111 PHE CB C 111 39.904 37.366 2.538 1
1 1290 . 7 1 1 A 111 111 PHE N N 111 117.907 118.208 -0.301 1
1 1291 . 7 1 1 A 112 112 GLN H H 112 8.254 8.177 0.077 1
1 1292 . 7 1 1 A 112 112 GLN HA H 112 3.685 3.995 -0.310 1
1 1299 . 7 1 1 A 112 112 GLN C C 112 178.503 178.046 0.457 1
1 1300 . 7 1 1 A 112 112 GLN CA C 112 58.624 58.832 -0.208 1
1 1301 . 7 1 1 A 112 112 GLN CB C 112 27.980 28.659 -0.679 1
1 1303 . 7 1 1 A 112 112 GLN N N 112 116.394 121.142 -4.748 1
1 1305 . 7 1 1 A 113 113 SER H H 113 7.741 7.952 -0.211 1
1 1306 . 7 1 1 A 113 113 SER HA H 113 4.036 4.493 -0.457 1
1 1309 . 7 1 1 A 113 113 SER C C 113 176.428 177.189 -0.761 1
1 1310 . 7 1 1 A 113 113 SER CA C 113 62.062 61.294 0.768 1
1 1311 . 7 1 1 A 113 113 SER CB C 113 62.655 62.480 0.175 1
1 1312 . 7 1 1 A 113 113 SER N N 113 114.734 115.492 -0.758 1
1 1313 . 7 1 1 A 114 114 ILE H H 114 7.915 7.697 0.218 1
1 1314 . 7 1 1 A 114 114 ILE HA H 114 3.559 3.659 -0.100 1
1 1324 . 7 1 1 A 114 114 ILE C C 114 178.594 178.608 -0.014 1
1 1325 . 7 1 1 A 114 114 ILE CA C 114 65.364 65.220 0.144 1
1 1326 . 7 1 1 A 114 114 ILE CB C 114 38.395 37.484 0.911 1
1 1330 . 7 1 1 A 114 114 ILE N N 114 119.893 122.510 -2.617 1
1 1331 . 7 1 1 A 115 115 ARG H H 115 8.581 8.033 0.548 1
1 1332 . 7 1 1 A 115 115 ARG HA H 115 3.881 4.336 -0.455 1
1 1339 . 7 1 1 A 115 115 ARG C C 115 177.921 179.359 -1.438 1
1 1340 . 7 1 1 A 115 115 ARG CA C 115 58.689 59.624 -0.935 1
1 1341 . 7 1 1 A 115 115 ARG CB C 115 29.134 29.802 -0.668 1
1 1344 . 7 1 1 A 115 115 ARG N N 115 123.090 120.973 2.117 1
1 1345 . 7 1 1 A 116 116 GLU H H 116 7.653 8.244 -0.591 1
1 1346 . 7 1 1 A 116 116 GLU HA H 116 3.959 4.186 -0.227 1
1 1351 . 7 1 1 A 116 116 GLU C C 116 178.178 177.548 0.630 1
1 1352 . 7 1 1 A 116 116 GLU CA C 116 58.767 58.862 -0.095 1
1 1353 . 7 1 1 A 116 116 GLU CB C 116 29.501 29.648 -0.147 1
1 1355 . 7 1 1 A 116 116 GLU N N 116 116.356 119.060 -2.704 1
1 1356 . 7 1 1 A 117 117 ILE H H 117 7.334 7.258 0.076 1
1 1357 . 7 1 1 A 117 117 ILE HA H 117 3.909 4.145 -0.236 1
1 1367 . 7 1 1 A 117 117 ILE C C 117 177.733 177.564 0.169 1
1 1368 . 7 1 1 A 117 117 ILE CA C 117 63.443 62.775 0.668 1
1 1369 . 7 1 1 A 117 117 ILE CB C 117 39.059 39.404 -0.345 1
1 1373 . 7 1 1 A 117 117 ILE N N 117 117.514 117.520 -0.006 1
1 1374 . 7 1 1 A 118 118 THR H H 118 8.075 7.688 0.387 1
1 1375 . 7 1 1 A 118 118 THR HA H 118 4.367 4.426 -0.059 1
1 1380 . 7 1 1 A 118 118 THR C C 118 176.050 175.845 0.205 1
1 1381 . 7 1 1 A 118 118 THR CA C 118 63.494 64.094 -0.600 1
1 1382 . 7 1 1 A 118 118 THR CB C 118 70.326 69.698 0.628 1
1 1384 . 7 1 1 A 118 118 THR N N 118 109.879 112.208 -2.329 1
1 1385 . 7 1 1 A 119 119 TRP H H 119 8.283 8.259 0.024 1
1 1386 . 7 1 1 A 119 119 TRP HA H 119 4.792 4.210 0.582 1
1 1395 . 7 1 1 A 119 119 TRP C C 119 175.855 175.445 0.410 1
1 1396 . 7 1 1 A 119 119 TRP CA C 119 57.464 60.641 -3.177 1
1 1397 . 7 1 1 A 119 119 TRP CB C 119 29.488 29.944 -0.456 1
1 1403 . 7 1 1 A 119 119 TRP N N 119 124.034 123.661 0.373 1
1 1405 . 7 1 1 A 120 120 LYS H H 120 7.723 7.692 0.031 1
1 1406 . 7 1 1 A 120 120 LYS HA H 120 4.198 4.686 -0.488 1
1 1415 . 7 1 1 A 120 120 LYS C C 120 176.162 174.584 1.578 1
1 1416 . 7 1 1 A 120 120 LYS CA C 120 56.049 54.591 1.458 1
1 1417 . 7 1 1 A 120 120 LYS CB C 120 32.924 35.507 -2.583 1
1 1421 . 7 1 1 A 120 120 LYS N N 120 123.166 113.938 9.228 1
1 1422 . 7 1 1 A 121 121 ILE H H 121 7.874 8.829 -0.955 1
1 1423 . 7 1 1 A 121 121 ILE HA H 121 4.035 4.748 -0.713 1
1 1433 . 7 1 1 A 121 121 ILE C C 121 175.950 174.930 1.020 1
1 1434 . 7 1 1 A 121 121 ILE CA C 121 61.120 60.725 0.395 1
1 1435 . 7 1 1 A 121 121 ILE CB C 121 38.708 39.736 -1.028 1
1 1439 . 7 1 1 A 121 121 ILE N N 121 121.301 123.546 -2.245 1
1 1440 . 7 1 1 A 122 122 ASP H H 122 8.317 8.839 -0.522 1
1 1441 . 7 1 1 A 122 122 ASP HA H 122 4.677 5.013 -0.336 1
1 1444 . 7 1 1 A 122 122 ASP C C 122 176.278 176.816 -0.538 1
1 1445 . 7 1 1 A 122 122 ASP CA C 122 54.157 53.634 0.523 1
1 1446 . 7 1 1 A 122 122 ASP CB C 122 41.316 41.964 -0.648 1
1 1447 . 7 1 1 A 122 122 ASP N N 122 124.058 127.744 -3.686 1
1 1448 . 7 1 1 A 123 123 THR H H 123 8.003 7.573 0.430 1
1 1449 . 7 1 1 A 123 123 THR HA H 123 4.307 4.097 0.210 1
1 1454 . 7 1 1 A 123 123 THR C C 123 173.831 176.202 -2.371 1
1 1455 . 7 1 1 A 123 123 THR CA C 123 61.715 64.863 -3.148 1
1 1456 . 7 1 1 A 123 123 THR CB C 123 69.736 68.932 0.804 1
1 1458 . 7 1 1 A 123 123 THR N N 123 114.853 114.991 -0.138 1
1 2 . 8 1 1 A 9 9 LYS H H 9 8.338 9.016 -0.678 1
1 3 . 8 1 1 A 9 9 LYS C C 9 176.402 176.083 0.319 1
1 4 . 8 1 1 A 9 9 LYS N N 9 122.857 121.423 1.434 1
1 5 . 8 1 1 A 10 10 ASP H H 10 8.335 8.509 -0.174 1
1 6 . 8 1 1 A 10 10 ASP HA H 10 4.562 4.982 -0.420 1
1 9 . 8 1 1 A 10 10 ASP C C 10 176.123 176.540 -0.417 1
1 10 . 8 1 1 A 10 10 ASP CA C 10 54.344 54.895 -0.551 1
1 11 . 8 1 1 A 10 10 ASP CB C 10 41.227 42.757 -1.530 1
1 12 . 8 1 1 A 10 10 ASP N N 10 121.507 121.201 0.306 1
1 13 . 8 1 1 A 11 11 GLU H H 11 8.231 8.270 -0.039 1
1 14 . 8 1 1 A 11 11 GLU HA H 11 4.222 4.646 -0.424 1
1 19 . 8 1 1 A 11 11 GLU CA C 11 56.356 58.121 -1.765 1
1 20 . 8 1 1 A 11 11 GLU CB C 11 30.439 32.088 -1.649 1
1 22 . 8 1 1 A 11 11 GLU N N 11 121.321 117.735 3.586 1
1 23 . 8 1 1 A 12 12 HIS H H 12 8.431 8.051 0.380 1
1 24 . 8 1 1 A 12 12 HIS HA H 12 4.618 4.198 0.420 1
1 28 . 8 1 1 A 12 12 HIS C C 12 174.980 174.115 0.865 1
1 29 . 8 1 1 A 12 12 HIS CA C 12 55.952 55.967 -0.015 1
1 30 . 8 1 1 A 12 12 HIS CB C 12 30.058 28.121 1.937 1
1 32 . 8 1 1 A 12 12 HIS N N 12 120.447 116.829 3.618 1
1 33 . 8 1 1 A 13 13 LYS H H 13 8.191 8.673 -0.482 1
1 34 . 8 1 1 A 13 13 LYS HA H 13 4.355 4.410 -0.055 1
1 43 . 8 1 1 A 13 13 LYS C C 13 175.327 175.395 -0.068 1
1 44 . 8 1 1 A 13 13 LYS CA C 13 55.620 55.279 0.341 1
1 45 . 8 1 1 A 13 13 LYS CB C 13 33.729 32.845 0.884 1
1 49 . 8 1 1 A 13 13 LYS N N 13 124.365 123.707 0.658 1
1 50 . 8 1 1 A 14 14 GLN H H 14 8.229 8.374 -0.145 1
1 51 . 8 1 1 A 14 14 GLN HA H 14 4.037 4.258 -0.221 1
1 58 . 8 1 1 A 14 14 GLN C C 14 173.432 174.720 -1.288 1
1 59 . 8 1 1 A 14 14 GLN CA C 14 54.613 55.349 -0.736 1
1 60 . 8 1 1 A 14 14 GLN CB C 14 29.096 28.385 0.711 1
1 62 . 8 1 1 A 14 14 GLN N N 14 123.823 123.770 0.053 1
1 64 . 8 1 1 A 15 15 GLN H H 15 7.896 8.304 -0.408 1
1 65 . 8 1 1 A 15 15 GLN HA H 15 5.459 5.262 0.197 1
1 70 . 8 1 1 A 15 15 GLN C C 15 174.263 175.680 -1.417 1
1 71 . 8 1 1 A 15 15 GLN CA C 15 54.506 54.208 0.298 1
1 72 . 8 1 1 A 15 15 GLN CB C 15 31.418 32.169 -0.751 1
1 74 . 8 1 1 A 15 15 GLN N N 15 121.452 123.082 -1.630 1
1 75 . 8 1 1 A 16 16 GLY H H 16 8.795 8.414 0.381 1
1 76 . 8 1 1 A 16 16 GLY HA2 H 16 4.056 4.184 -0.128 1
1 77 . 8 1 1 A 16 16 GLY HA3 H 16 4.801 4.450 0.351 1
1 78 . 8 1 1 A 16 16 GLY C C 16 171.456 171.397 0.059 1
1 79 . 8 1 1 A 16 16 GLY CA C 16 44.773 46.266 -1.493 1
1 80 . 8 1 1 A 16 16 GLY N N 16 107.937 110.059 -2.122 1
1 81 . 8 1 1 A 17 17 GLU H H 17 8.718 8.413 0.305 1
1 82 . 8 1 1 A 17 17 GLU HA H 17 5.220 5.025 0.195 1
1 87 . 8 1 1 A 17 17 GLU C C 17 176.562 174.910 1.652 1
1 88 . 8 1 1 A 17 17 GLU CA C 17 55.880 54.420 1.460 1
1 89 . 8 1 1 A 17 17 GLU CB C 17 30.995 33.697 -2.702 1
1 91 . 8 1 1 A 17 17 GLU N N 17 119.686 121.666 -1.980 1
1 92 . 8 1 1 A 18 18 LEU H H 18 8.806 8.353 0.453 1
1 93 . 8 1 1 A 18 18 LEU HA H 18 4.652 4.539 0.113 1
1 103 . 8 1 1 A 18 18 LEU C C 18 176.851 174.921 1.930 1
1 104 . 8 1 1 A 18 18 LEU CA C 18 53.786 53.067 0.719 1
1 105 . 8 1 1 A 18 18 LEU CB C 18 47.961 46.336 1.625 1
1 109 . 8 1 1 A 18 18 LEU N N 18 122.158 122.312 -0.154 1
1 110 . 8 1 1 A 19 19 TYR H H 19 8.833 8.642 0.191 1
1 111 . 8 1 1 A 19 19 TYR HA H 19 5.837 5.031 0.806 1
1 118 . 8 1 1 A 19 19 TYR C C 19 176.038 174.869 1.169 1
1 119 . 8 1 1 A 19 19 TYR CA C 19 56.750 56.707 0.043 1
1 120 . 8 1 1 A 19 19 TYR CB C 19 40.531 40.593 -0.062 1
1 125 . 8 1 1 A 19 19 TYR N N 19 117.278 118.088 -0.810 1
1 126 . 8 1 1 A 20 20 MET H H 20 9.743 9.159 0.584 1
1 127 . 8 1 1 A 20 20 MET HA H 20 5.207 5.482 -0.275 1
1 135 . 8 1 1 A 20 20 MET C C 20 175.349 175.485 -0.136 1
1 136 . 8 1 1 A 20 20 MET CA C 20 54.611 54.064 0.547 1
1 137 . 8 1 1 A 20 20 MET CB C 20 37.352 34.457 2.895 1
1 140 . 8 1 1 A 20 20 MET N N 20 120.128 123.310 -3.182 1
1 141 . 8 1 1 A 21 21 TRP H H 21 8.142 8.637 -0.495 1
1 142 . 8 1 1 A 21 21 TRP HA H 21 4.084 3.932 0.152 1
1 150 . 8 1 1 A 21 21 TRP C C 21 174.752 174.680 0.072 1
1 151 . 8 1 1 A 21 21 TRP CA C 21 56.246 56.585 -0.339 1
1 152 . 8 1 1 A 21 21 TRP CB C 21 29.682 29.279 0.403 1
1 157 . 8 1 1 A 21 21 TRP N N 21 126.799 125.099 1.700 1
1 159 . 8 1 1 A 22 22 ASP H H 22 8.034 8.028 0.006 1
1 160 . 8 1 1 A 22 22 ASP HA H 22 4.417 4.265 0.152 1
1 163 . 8 1 1 A 22 22 ASP C C 22 175.814 176.244 -0.430 1
1 164 . 8 1 1 A 22 22 ASP CA C 22 52.020 52.515 -0.495 1
1 165 . 8 1 1 A 22 22 ASP CB C 22 41.748 40.166 1.582 1
1 166 . 8 1 1 A 22 22 ASP N N 22 129.313 129.128 0.185 1
1 167 . 8 1 1 A 23 23 SER H H 23 8.331 8.708 -0.377 1
1 168 . 8 1 1 A 23 23 SER HA H 23 3.719 3.848 -0.129 1
1 171 . 8 1 1 A 23 23 SER C C 23 175.145 175.423 -0.278 1
1 172 . 8 1 1 A 23 23 SER CA C 23 59.732 59.042 0.690 1
1 173 . 8 1 1 A 23 23 SER CB C 23 63.304 62.719 0.585 1
1 174 . 8 1 1 A 23 23 SER N N 23 119.796 121.055 -1.259 1
1 175 . 8 1 1 A 24 24 ILE H H 24 8.044 7.494 0.550 1
1 176 . 8 1 1 A 24 24 ILE HA H 24 3.849 3.797 0.052 1
1 186 . 8 1 1 A 24 24 ILE C C 24 177.615 176.803 0.812 1
1 187 . 8 1 1 A 24 24 ILE CA C 24 63.257 63.909 -0.652 1
1 188 . 8 1 1 A 24 24 ILE CB C 24 36.400 37.963 -1.563 1
1 192 . 8 1 1 A 24 24 ILE N N 24 124.085 120.166 3.919 1
1 193 . 8 1 1 A 25 25 ASP H H 25 7.641 8.057 -0.416 1
1 194 . 8 1 1 A 25 25 ASP HA H 25 4.492 4.610 -0.118 1
1 197 . 8 1 1 A 25 25 ASP C C 25 175.486 174.984 0.502 1
1 198 . 8 1 1 A 25 25 ASP CA C 25 54.313 53.710 0.603 1
1 199 . 8 1 1 A 25 25 ASP CB C 25 40.789 40.923 -0.134 1
1 200 . 8 1 1 A 25 25 ASP N N 25 118.371 118.252 0.119 1
1 201 . 8 1 1 A 26 26 GLN H H 26 7.340 7.479 -0.139 1
1 202 . 8 1 1 A 26 26 GLN HA H 26 2.828 3.301 -0.473 1
1 209 . 8 1 1 A 26 26 GLN C C 26 173.882 174.399 -0.517 1
1 210 . 8 1 1 A 26 26 GLN CA C 26 55.956 56.412 -0.456 1
1 211 . 8 1 1 A 26 26 GLN CB C 26 25.070 26.635 -1.565 1
1 213 . 8 1 1 A 26 26 GLN N N 26 116.358 116.712 -0.354 1
1 215 . 8 1 1 A 27 27 LYS H H 27 6.283 6.426 -0.143 1
1 216 . 8 1 1 A 27 27 LYS HA H 27 4.395 4.816 -0.421 1
1 225 . 8 1 1 A 27 27 LYS C C 27 173.510 174.271 -0.761 1
1 226 . 8 1 1 A 27 27 LYS CA C 27 54.164 54.946 -0.782 1
1 227 . 8 1 1 A 27 27 LYS CB C 27 35.825 34.433 1.392 1
1 231 . 8 1 1 A 27 27 LYS N N 27 114.611 113.459 1.152 1
1 232 . 8 1 1 A 28 28 TRP H H 28 8.751 8.847 -0.096 1
1 233 . 8 1 1 A 28 28 TRP HA H 28 5.383 5.478 -0.095 1
1 242 . 8 1 1 A 28 28 TRP C C 28 177.411 176.541 0.870 1
1 243 . 8 1 1 A 28 28 TRP CA C 28 55.957 56.346 -0.389 1
1 244 . 8 1 1 A 28 28 TRP CB C 28 30.752 30.494 0.258 1
1 250 . 8 1 1 A 28 28 TRP N N 28 121.520 120.115 1.405 1
1 252 . 8 1 1 A 29 29 THR H H 29 9.413 8.680 0.733 1
1 253 . 8 1 1 A 29 29 THR HA H 29 4.852 5.107 -0.255 1
1 258 . 8 1 1 A 29 29 THR C C 29 173.520 173.011 0.509 1
1 259 . 8 1 1 A 29 29 THR CA C 29 60.308 60.062 0.246 1
1 260 . 8 1 1 A 29 29 THR CB C 29 69.736 70.393 -0.657 1
1 262 . 8 1 1 A 29 29 THR N N 29 117.059 116.401 0.658 1
1 263 . 8 1 1 A 30 30 ARG H H 30 9.117 8.858 0.259 1
1 264 . 8 1 1 A 30 30 ARG HA H 30 4.790 4.169 0.621 1
1 272 . 8 1 1 A 30 30 ARG C C 30 174.447 175.581 -1.134 1
1 273 . 8 1 1 A 30 30 ARG CA C 30 55.949 54.971 0.978 1
1 274 . 8 1 1 A 30 30 ARG CB C 30 33.388 30.879 2.509 1
1 277 . 8 1 1 A 30 30 ARG N N 30 126.027 124.012 2.015 1
1 278 . 8 1 1 A 31 31 HIS H H 31 9.011 8.014 0.997 1
1 279 . 8 1 1 A 31 31 HIS HA H 31 4.636 5.623 -0.987 1
1 282 . 8 1 1 A 31 31 HIS C C 31 173.947 172.120 1.827 1
1 283 . 8 1 1 A 31 31 HIS CA C 31 55.185 53.522 1.663 1
1 284 . 8 1 1 A 31 31 HIS CB C 31 33.332 33.274 0.058 1
1 285 . 8 1 1 A 31 31 HIS N N 31 121.017 122.112 -1.095 1
1 286 . 8 1 1 A 32 32 TYR H H 32 9.361 9.098 0.263 1
1 287 . 8 1 1 A 32 32 TYR HA H 32 4.745 4.806 -0.061 1
1 294 . 8 1 1 A 32 32 TYR C C 32 176.298 175.173 1.125 1
1 295 . 8 1 1 A 32 32 TYR CA C 32 59.316 56.923 2.393 1
1 296 . 8 1 1 A 32 32 TYR CB C 32 39.341 38.792 0.549 1
1 301 . 8 1 1 A 32 32 TYR N N 32 124.440 122.887 1.553 1
1 302 . 8 1 1 A 33 33 CYS H H 33 8.750 8.325 0.425 1
1 303 . 8 1 1 A 33 33 CYS HA H 33 5.857 5.142 0.715 1
1 306 . 8 1 1 A 33 33 CYS C C 33 172.735 174.032 -1.297 1
1 307 . 8 1 1 A 33 33 CYS CA C 33 57.108 58.234 -1.126 1
1 308 . 8 1 1 A 33 33 CYS CB C 33 32.779 29.329 3.450 1
1 309 . 8 1 1 A 33 33 CYS N N 33 127.462 126.830 0.632 1
1 310 . 8 1 1 A 34 34 ALA H H 34 8.565 8.626 -0.061 1
1 311 . 8 1 1 A 34 34 ALA HA H 34 5.290 4.947 0.343 1
1 315 . 8 1 1 A 34 34 ALA C C 34 176.215 175.667 0.548 1
1 316 . 8 1 1 A 34 34 ALA CA C 34 51.773 51.996 -0.223 1
1 317 . 8 1 1 A 34 34 ALA CB C 34 23.139 21.535 1.604 1
1 318 . 8 1 1 A 34 34 ALA N N 34 121.115 122.452 -1.337 1
1 319 . 8 1 1 A 35 35 ILE H H 35 8.413 9.112 -0.699 1
1 320 . 8 1 1 A 35 35 ILE HA H 35 5.275 4.890 0.385 1
1 330 . 8 1 1 A 35 35 ILE C C 35 175.768 175.011 0.757 1
1 331 . 8 1 1 A 35 35 ILE CA C 35 60.105 60.404 -0.299 1
1 332 . 8 1 1 A 35 35 ILE CB C 35 39.737 38.148 1.589 1
1 336 . 8 1 1 A 35 35 ILE N N 35 120.176 123.631 -3.455 1
1 337 . 8 1 1 A 36 36 ALA H H 36 8.666 8.587 0.079 1
1 338 . 8 1 1 A 36 36 ALA HA H 36 4.581 4.716 -0.135 1
1 342 . 8 1 1 A 36 36 ALA CA C 36 52.028 51.088 0.940 1
1 343 . 8 1 1 A 36 36 ALA CB C 36 21.365 20.380 0.985 1
1 344 . 8 1 1 A 36 36 ALA N N 36 129.732 132.014 -2.282 1
1 345 . 8 1 1 A 37 37 ASP H H 37 9.379 9.046 0.333 1
1 346 . 8 1 1 A 37 37 ASP HA H 37 4.228 4.447 -0.219 1
1 349 . 8 1 1 A 37 37 ASP C C 37 174.579 175.705 -1.126 1
1 350 . 8 1 1 A 37 37 ASP CA C 37 55.822 56.721 -0.899 1
1 351 . 8 1 1 A 37 37 ASP CB C 37 39.784 40.458 -0.674 1
1 352 . 8 1 1 A 37 37 ASP N N 37 124.926 122.776 2.150 1
1 353 . 8 1 1 A 38 38 ALA H H 38 8.710 8.440 0.270 1
1 354 . 8 1 1 A 38 38 ALA HA H 38 3.911 4.530 -0.619 1
1 358 . 8 1 1 A 38 38 ALA C C 38 174.866 177.287 -2.421 1
1 359 . 8 1 1 A 38 38 ALA CA C 38 53.040 52.377 0.663 1
1 360 . 8 1 1 A 38 38 ALA CB C 38 17.654 21.642 -3.988 1
1 361 . 8 1 1 A 38 38 ALA N N 38 115.547 122.067 -6.520 1
1 362 . 8 1 1 A 39 39 LYS H H 39 8.054 7.456 0.598 1
1 363 . 8 1 1 A 39 39 LYS HA H 39 5.247 4.657 0.590 1
1 372 . 8 1 1 A 39 39 LYS C C 39 175.201 175.331 -0.130 1
1 373 . 8 1 1 A 39 39 LYS CA C 39 54.583 55.274 -0.691 1
1 374 . 8 1 1 A 39 39 LYS CB C 39 34.824 34.030 0.794 1
1 378 . 8 1 1 A 39 39 LYS N N 39 117.589 117.943 -0.354 1
1 379 . 8 1 1 A 40 40 LEU H H 40 9.090 8.327 0.763 1
1 380 . 8 1 1 A 40 40 LEU HA H 40 5.353 5.303 0.050 1
1 390 . 8 1 1 A 40 40 LEU C C 40 175.382 175.083 0.299 1
1 391 . 8 1 1 A 40 40 LEU CA C 40 53.987 53.518 0.469 1
1 392 . 8 1 1 A 40 40 LEU CB C 40 45.718 46.392 -0.674 1
1 396 . 8 1 1 A 40 40 LEU N N 40 126.300 124.428 1.872 1
1 397 . 8 1 1 A 41 41 SER H H 41 9.539 9.142 0.397 1
1 398 . 8 1 1 A 41 41 SER HA H 41 5.493 5.389 0.104 1
1 401 . 8 1 1 A 41 41 SER C C 41 173.435 173.393 0.042 1
1 402 . 8 1 1 A 41 41 SER CA C 41 56.816 56.554 0.262 1
1 403 . 8 1 1 A 41 41 SER CB C 41 65.706 65.373 0.333 1
1 404 . 8 1 1 A 41 41 SER N N 41 123.399 120.639 2.760 1
1 405 . 8 1 1 A 42 42 PHE H H 42 8.344 7.757 0.587 1
1 406 . 8 1 1 A 42 42 PHE HA H 42 5.888 5.404 0.484 1
1 414 . 8 1 1 A 42 42 PHE C C 42 175.198 174.017 1.181 1
1 415 . 8 1 1 A 42 42 PHE CA C 42 54.335 55.410 -1.075 1
1 416 . 8 1 1 A 42 42 PHE CB C 42 43.360 40.869 2.491 1
1 422 . 8 1 1 A 42 42 PHE N N 42 117.935 121.020 -3.085 1
1 423 . 8 1 1 A 43 43 SER H H 43 8.843 8.653 0.190 1
1 424 . 8 1 1 A 43 43 SER HA H 43 4.918 5.022 -0.104 1
1 427 . 8 1 1 A 43 43 SER C C 43 175.040 173.437 1.603 1
1 428 . 8 1 1 A 43 43 SER CA C 43 58.215 57.059 1.156 1
1 429 . 8 1 1 A 43 43 SER CB C 43 66.789 65.183 1.606 1
1 430 . 8 1 1 A 43 43 SER N N 43 117.280 118.488 -1.208 1
1 431 . 8 1 1 A 44 44 ASP H H 44 8.818 8.562 0.256 1
1 432 . 8 1 1 A 44 44 ASP HA H 44 4.909 4.575 0.334 1
1 435 . 8 1 1 A 44 44 ASP C C 44 175.955 175.583 0.372 1
1 436 . 8 1 1 A 44 44 ASP CA C 44 54.815 54.023 0.792 1
1 437 . 8 1 1 A 44 44 ASP CB C 44 41.729 41.116 0.613 1
1 438 . 8 1 1 A 44 44 ASP N N 44 120.846 122.795 -1.949 1
1 439 . 8 1 1 A 45 45 ASP H H 45 8.726 8.535 0.191 1
1 440 . 8 1 1 A 45 45 ASP HA H 45 4.273 4.759 -0.486 1
1 443 . 8 1 1 A 45 45 ASP C C 45 177.889 177.780 0.109 1
1 444 . 8 1 1 A 45 45 ASP CA C 45 54.145 55.096 -0.951 1
1 445 . 8 1 1 A 45 45 ASP CB C 45 41.329 41.007 0.322 1
1 446 . 8 1 1 A 45 45 ASP N N 45 120.848 120.294 0.554 1
1 447 . 8 1 1 A 46 46 ILE H H 46 8.369 8.619 -0.250 1
1 448 . 8 1 1 A 46 46 ILE HA H 46 4.079 4.278 -0.199 1
1 458 . 8 1 1 A 46 46 ILE C C 46 177.339 176.565 0.774 1
1 459 . 8 1 1 A 46 46 ILE CA C 46 62.357 61.746 0.611 1
1 460 . 8 1 1 A 46 46 ILE CB C 46 38.708 37.832 0.876 1
1 464 . 8 1 1 A 46 46 ILE N N 46 123.832 119.397 4.435 1
1 465 . 8 1 1 A 47 47 GLU H H 47 8.577 8.119 0.458 1
1 466 . 8 1 1 A 47 47 GLU HA H 47 4.258 4.526 -0.268 1
1 471 . 8 1 1 A 47 47 GLU C C 47 177.164 176.954 0.210 1
1 472 . 8 1 1 A 47 47 GLU CA C 47 57.249 56.825 0.424 1
1 473 . 8 1 1 A 47 47 GLU CB C 47 29.900 32.041 -2.141 1
1 475 . 8 1 1 A 47 47 GLU N N 47 122.294 119.356 2.938 1
1 476 . 8 1 1 A 48 48 GLN H H 48 7.894 8.275 -0.381 1
1 477 . 8 1 1 A 48 48 GLN HA H 48 4.365 4.544 -0.179 1
1 484 . 8 1 1 A 48 48 GLN C C 48 176.278 175.075 1.203 1
1 485 . 8 1 1 A 48 48 GLN CA C 48 55.830 55.113 0.717 1
1 486 . 8 1 1 A 48 48 GLN CB C 48 29.383 28.911 0.472 1
1 488 . 8 1 1 A 48 48 GLN N N 48 118.968 117.984 0.984 1
1 490 . 8 1 1 A 49 49 THR H H 49 8.048 7.504 0.544 1
1 491 . 8 1 1 A 49 49 THR HA H 49 4.331 4.141 0.190 1
1 496 . 8 1 1 A 49 49 THR C C 49 174.784 174.786 -0.002 1
1 497 . 8 1 1 A 49 49 THR CA C 49 62.135 62.473 -0.338 1
1 498 . 8 1 1 A 49 49 THR CB C 49 69.736 69.482 0.254 1
1 500 . 8 1 1 A 49 49 THR N N 49 114.601 113.034 1.567 1
1 501 . 8 1 1 A 50 50 MET H H 50 8.409 8.750 -0.341 1
1 502 . 8 1 1 A 50 50 MET HA H 50 4.510 4.757 -0.247 1
1 510 . 8 1 1 A 50 50 MET C C 50 176.451 176.225 0.226 1
1 511 . 8 1 1 A 50 50 MET CA C 50 55.601 54.256 1.345 1
1 512 . 8 1 1 A 50 50 MET CB C 50 32.850 31.577 1.273 1
1 515 . 8 1 1 A 50 50 MET N N 50 122.660 123.464 -0.804 1
1 516 . 8 1 1 A 51 51 GLU H H 51 8.418 7.624 0.794 1
1 517 . 8 1 1 A 51 51 GLU HA H 51 4.272 4.205 0.067 1
1 522 . 8 1 1 A 51 51 GLU C C 51 176.777 176.363 0.414 1
1 523 . 8 1 1 A 51 51 GLU CA C 51 56.680 56.783 -0.103 1
1 524 . 8 1 1 A 51 51 GLU CB C 51 30.262 30.337 -0.075 1
1 526 . 8 1 1 A 51 51 GLU N N 51 121.650 120.290 1.360 1
1 527 . 8 1 1 A 52 52 GLU H H 52 8.325 8.886 -0.561 1
1 528 . 8 1 1 A 52 52 GLU HA H 52 4.174 4.173 0.001 1
1 533 . 8 1 1 A 52 52 GLU C C 52 176.178 177.715 -1.537 1
1 534 . 8 1 1 A 52 52 GLU N N 52 120.869 127.462 -6.593 1
1 535 . 8 1 1 A 53 53 ASP H H 53 8.320 8.041 0.279 1
1 536 . 8 1 1 A 53 53 ASP HA H 53 4.527 4.723 -0.196 1
1 539 . 8 1 1 A 53 53 ASP C C 53 175.650 174.861 0.789 1
1 540 . 8 1 1 A 53 53 ASP CA C 53 54.322 53.791 0.531 1
1 541 . 8 1 1 A 53 53 ASP CB C 53 41.040 40.858 0.182 1
1 542 . 8 1 1 A 53 53 ASP N N 53 119.656 116.376 3.280 1
1 543 . 8 1 1 A 54 54 ASN H H 54 8.134 7.979 0.155 1
1 544 . 8 1 1 A 54 54 ASN HA H 54 4.970 4.371 0.599 1
1 549 . 8 1 1 A 54 54 ASN CA C 54 51.120 53.782 -2.662 1
1 550 . 8 1 1 A 54 54 ASN CB C 54 39.125 36.988 2.137 1
1 551 . 8 1 1 A 54 54 ASN N N 54 118.436 114.692 3.744 1
1 553 . 8 1 1 A 55 55 PRO HA H 55 4.394 4.543 -0.149 1
1 560 . 8 1 1 A 55 55 PRO C C 55 177.514 176.839 0.675 1
1 561 . 8 1 1 A 55 55 PRO CA C 55 63.910 63.551 0.359 1
1 562 . 8 1 1 A 55 55 PRO CB C 55 32.077 32.378 -0.301 1
1 565 . 8 1 1 A 56 56 LEU H H 56 8.181 8.004 0.177 1
1 566 . 8 1 1 A 56 56 LEU HA H 56 4.268 3.989 0.279 1
1 576 . 8 1 1 A 56 56 LEU C C 56 178.176 175.938 2.238 1
1 577 . 8 1 1 A 56 56 LEU CA C 56 55.542 55.646 -0.104 1
1 578 . 8 1 1 A 56 56 LEU CB C 56 41.783 40.586 1.197 1
1 582 . 8 1 1 A 56 56 LEU N N 56 120.122 119.805 0.317 1
1 583 . 8 1 1 A 57 57 GLY H H 57 8.071 8.564 -0.493 1
1 584 . 8 1 1 A 57 57 GLY HA2 H 57 3.946 4.063 -0.117 1
1 585 . 8 1 1 A 57 57 GLY HA3 H 57 3.946 4.065 -0.119 1
1 586 . 8 1 1 A 57 57 GLY C C 57 174.306 173.141 1.165 1
1 587 . 8 1 1 A 57 57 GLY CA C 57 45.460 44.962 0.498 1
1 588 . 8 1 1 A 57 57 GLY N N 57 108.437 113.986 -5.549 1
1 589 . 8 1 1 A 58 58 SER H H 58 8.170 8.864 -0.694 1
1 590 . 8 1 1 A 58 58 SER HA H 58 4.460 4.638 -0.178 1
1 593 . 8 1 1 A 58 58 SER C C 58 174.785 175.513 -0.728 1
1 594 . 8 1 1 A 58 58 SER CA C 58 58.319 57.215 1.104 1
1 595 . 8 1 1 A 58 58 SER CB C 58 63.792 65.275 -1.483 1
1 596 . 8 1 1 A 58 58 SER N N 58 115.478 116.638 -1.160 1
1 597 . 8 1 1 A 59 59 LEU H H 59 8.278 8.806 -0.528 1
1 598 . 8 1 1 A 59 59 LEU HA H 59 4.384 4.062 0.322 1
1 608 . 8 1 1 A 59 59 LEU CA C 59 55.219 58.028 -2.809 1
1 609 . 8 1 1 A 59 59 LEU CB C 59 42.377 42.129 0.248 1
1 613 . 8 1 1 A 59 59 LEU N N 59 124.033 126.194 -2.161 1
1 614 . 8 1 1 A 60 60 CYS H H 60 8.331 8.068 0.263 1
1 615 . 8 1 1 A 60 60 CYS HA H 60 4.398 4.318 0.080 1
1 618 . 8 1 1 A 60 60 CYS C C 60 174.142 174.846 -0.704 1
1 619 . 8 1 1 A 60 60 CYS CA C 60 58.505 59.164 -0.659 1
1 620 . 8 1 1 A 60 60 CYS CB C 60 27.338 27.005 0.333 1
1 621 . 8 1 1 A 60 60 CYS N N 60 120.390 115.351 5.039 1
1 622 . 8 1 1 A 61 61 ARG H H 61 8.632 8.634 -0.002 1
1 623 . 8 1 1 A 61 61 ARG HA H 61 4.337 4.225 0.112 1
1 630 . 8 1 1 A 61 61 ARG C C 61 176.096 176.058 0.038 1
1 631 . 8 1 1 A 61 61 ARG CA C 61 56.003 57.171 -1.168 1
1 632 . 8 1 1 A 61 61 ARG CB C 61 30.757 31.820 -1.063 1
1 635 . 8 1 1 A 61 61 ARG N N 61 125.869 126.277 -0.408 1
1 636 . 8 1 1 A 62 62 GLY H H 62 7.263 6.531 0.732 1
1 637 . 8 1 1 A 62 62 GLY HA2 H 62 3.008 3.620 -0.612 1
1 638 . 8 1 1 A 62 62 GLY HA3 H 62 3.875 3.875 0.000 1
1 639 . 8 1 1 A 62 62 GLY C C 62 170.609 170.574 0.035 1
1 640 . 8 1 1 A 62 62 GLY CA C 62 44.808 44.935 -0.127 1
1 641 . 8 1 1 A 62 62 GLY N N 62 107.908 106.213 1.695 1
1 642 . 8 1 1 A 63 63 ILE H H 63 7.895 8.172 -0.277 1
1 643 . 8 1 1 A 63 63 ILE HA H 63 4.843 5.072 -0.229 1
1 653 . 8 1 1 A 63 63 ILE C C 63 175.450 174.535 0.915 1
1 654 . 8 1 1 A 63 63 ILE CA C 63 60.322 59.370 0.952 1
1 655 . 8 1 1 A 63 63 ILE CB C 63 41.957 42.215 -0.258 1
1 659 . 8 1 1 A 63 63 ILE N N 63 117.987 120.743 -2.756 1
1 660 . 8 1 1 A 64 64 LEU H H 64 9.429 9.301 0.128 1
1 661 . 8 1 1 A 64 64 LEU HA H 64 4.916 5.073 -0.157 1
1 671 . 8 1 1 A 64 64 LEU C C 64 176.136 175.343 0.793 1
1 672 . 8 1 1 A 64 64 LEU CA C 64 53.059 53.707 -0.648 1
1 673 . 8 1 1 A 64 64 LEU CB C 64 43.788 44.028 -0.240 1
1 677 . 8 1 1 A 64 64 LEU N N 64 127.063 128.900 -1.837 1
1 678 . 8 1 1 A 65 65 ASP H H 65 9.241 8.987 0.254 1
1 679 . 8 1 1 A 65 65 ASP HA H 65 4.818 4.670 0.148 1
1 682 . 8 1 1 A 65 65 ASP C C 65 177.925 176.223 1.702 1
1 683 . 8 1 1 A 65 65 ASP CA C 65 53.628 54.749 -1.121 1
1 684 . 8 1 1 A 65 65 ASP CB C 65 40.307 40.634 -0.327 1
1 685 . 8 1 1 A 65 65 ASP N N 65 122.728 125.739 -3.011 1
1 686 . 8 1 1 A 66 66 LEU H H 66 8.766 8.608 0.158 1
1 687 . 8 1 1 A 66 66 LEU HA H 66 4.212 4.599 -0.387 1
1 697 . 8 1 1 A 66 66 LEU C C 66 177.167 177.268 -0.101 1
1 698 . 8 1 1 A 66 66 LEU CA C 66 57.854 54.726 3.128 1
1 699 . 8 1 1 A 66 66 LEU CB C 66 41.006 41.517 -0.511 1
1 703 . 8 1 1 A 66 66 LEU N N 66 126.997 126.559 0.438 1
1 704 . 8 1 1 A 67 67 ASN H H 67 8.585 7.990 0.595 1
1 705 . 8 1 1 A 67 67 ASN HA H 67 4.721 4.975 -0.254 1
1 710 . 8 1 1 A 67 67 ASN C C 67 176.583 175.105 1.478 1
1 711 . 8 1 1 A 67 67 ASN CA C 67 55.648 53.261 2.387 1
1 712 . 8 1 1 A 67 67 ASN CB C 67 38.464 39.789 -1.325 1
1 713 . 8 1 1 A 67 67 ASN N N 67 113.883 117.206 -3.323 1
1 715 . 8 1 1 A 68 68 THR H H 68 8.007 7.902 0.105 1
1 716 . 8 1 1 A 68 68 THR HA H 68 4.513 4.557 -0.044 1
1 721 . 8 1 1 A 68 68 THR C C 68 172.870 172.922 -0.052 1
1 722 . 8 1 1 A 68 68 THR CA C 68 61.441 61.388 0.053 1
1 723 . 8 1 1 A 68 68 THR CB C 68 69.432 70.236 -0.804 1
1 725 . 8 1 1 A 68 68 THR N N 68 108.340 114.601 -6.261 1
1 726 . 8 1 1 A 69 69 TYR H H 69 7.560 7.718 -0.158 1
1 727 . 8 1 1 A 69 69 TYR HA H 69 5.199 5.063 0.136 1
1 734 . 8 1 1 A 69 69 TYR C C 69 174.283 174.972 -0.689 1
1 735 . 8 1 1 A 69 69 TYR CA C 69 57.848 56.476 1.372 1
1 736 . 8 1 1 A 69 69 TYR CB C 69 44.393 42.576 1.817 1
1 741 . 8 1 1 A 69 69 TYR N N 69 119.888 121.575 -1.687 1
1 742 . 8 1 1 A 70 70 ASN H H 70 9.116 9.207 -0.091 1
1 743 . 8 1 1 A 70 70 ASN HA H 70 5.162 5.508 -0.346 1
1 748 . 8 1 1 A 70 70 ASN C C 70 174.340 174.303 0.037 1
1 749 . 8 1 1 A 70 70 ASN CA C 70 52.364 52.458 -0.094 1
1 750 . 8 1 1 A 70 70 ASN CB C 70 42.062 42.142 -0.080 1
1 751 . 8 1 1 A 70 70 ASN N N 70 116.071 117.883 -1.812 1
1 753 . 8 1 1 A 71 71 VAL H H 71 8.564 9.181 -0.617 1
1 754 . 8 1 1 A 71 71 VAL HA H 71 5.766 5.002 0.764 1
1 762 . 8 1 1 A 71 71 VAL C C 71 173.261 175.838 -2.577 1
1 763 . 8 1 1 A 71 71 VAL CA C 71 59.076 62.020 -2.944 1
1 764 . 8 1 1 A 71 71 VAL CB C 71 34.982 33.325 1.657 1
1 767 . 8 1 1 A 71 71 VAL N N 71 120.784 125.022 -4.238 1
1 768 . 8 1 1 A 72 72 VAL H H 72 9.308 8.718 0.590 1
1 769 . 8 1 1 A 72 72 VAL HA H 72 4.806 4.862 -0.056 1
1 777 . 8 1 1 A 72 72 VAL C C 72 175.047 174.061 0.986 1
1 778 . 8 1 1 A 72 72 VAL CA C 72 60.330 59.789 0.541 1
1 779 . 8 1 1 A 72 72 VAL CB C 72 36.467 35.327 1.140 1
1 782 . 8 1 1 A 72 72 VAL N N 72 125.272 121.029 4.243 1
1 783 . 8 1 1 A 73 73 LYS H H 73 8.793 8.316 0.477 1
1 784 . 8 1 1 A 73 73 LYS HA H 73 4.652 3.002 1.650 1
1 793 . 8 1 1 A 73 73 LYS C C 73 176.241 174.796 1.445 1
1 794 . 8 1 1 A 73 73 LYS CA C 73 55.799 55.616 0.183 1
1 795 . 8 1 1 A 73 73 LYS CB C 73 33.452 32.307 1.145 1
1 799 . 8 1 1 A 73 73 LYS N N 73 124.197 126.022 -1.825 1
1 800 . 8 1 1 A 74 74 ALA H H 74 8.172 8.336 -0.164 1
1 801 . 8 1 1 A 74 74 ALA HA H 74 4.849 4.313 0.536 1
1 805 . 8 1 1 A 74 74 ALA CA C 74 49.540 50.119 -0.579 1
1 806 . 8 1 1 A 74 74 ALA CB C 74 17.685 19.404 -1.719 1
1 807 . 8 1 1 A 74 74 ALA N N 74 128.026 130.213 -2.187 1
1 808 . 8 1 1 A 75 75 PRO HA H 75 4.351 4.384 -0.033 1
1 815 . 8 1 1 A 75 75 PRO CA C 75 65.256 65.764 -0.508 1
1 816 . 8 1 1 A 75 75 PRO CB C 75 32.158 31.612 0.546 1
1 819 . 8 1 1 A 76 76 GLN H H 76 8.660 8.044 0.616 1
1 820 . 8 1 1 A 76 76 GLN HA H 76 4.561 4.115 0.446 1
1 825 . 8 1 1 A 76 76 GLN C C 76 176.426 175.961 0.465 1
1 826 . 8 1 1 A 76 76 GLN CA C 76 55.168 57.346 -2.178 1
1 827 . 8 1 1 A 76 76 GLN CB C 76 28.925 29.505 -0.580 1
1 829 . 8 1 1 A 76 76 GLN N N 76 116.110 117.332 -1.222 1
1 830 . 8 1 1 A 77 77 GLY H H 77 7.527 7.685 -0.158 1
1 831 . 8 1 1 A 77 77 GLY HA2 H 77 3.382 4.019 -0.637 1
1 832 . 8 1 1 A 77 77 GLY HA3 H 77 4.505 4.040 0.465 1
1 833 . 8 1 1 A 77 77 GLY C C 77 172.487 173.962 -1.475 1
1 834 . 8 1 1 A 77 77 GLY CA C 77 44.852 44.368 0.484 1
1 835 . 8 1 1 A 77 77 GLY N N 77 107.608 106.864 0.744 1
1 836 . 8 1 1 A 78 78 LYS H H 78 8.123 8.524 -0.401 1
1 837 . 8 1 1 A 78 78 LYS HA H 78 4.191 4.483 -0.292 1
1 846 . 8 1 1 A 78 78 LYS C C 78 175.300 174.973 0.327 1
1 847 . 8 1 1 A 78 78 LYS CA C 78 56.737 57.372 -0.635 1
1 848 . 8 1 1 A 78 78 LYS CB C 78 35.900 34.442 1.458 1
1 852 . 8 1 1 A 78 78 LYS N N 78 117.756 122.044 -4.288 1
1 853 . 8 1 1 A 79 79 ASN H H 79 9.105 8.390 0.715 1
1 854 . 8 1 1 A 79 79 ASN HA H 79 4.099 4.873 -0.774 1
1 859 . 8 1 1 A 79 79 ASN C C 79 175.098 175.494 -0.396 1
1 860 . 8 1 1 A 79 79 ASN CA C 79 54.563 51.403 3.160 1
1 861 . 8 1 1 A 79 79 ASN CB C 79 37.353 38.971 -1.618 1
1 862 . 8 1 1 A 79 79 ASN N N 79 120.643 117.608 3.035 1
1 864 . 8 1 1 A 80 80 GLN H H 80 8.608 8.673 -0.065 1
1 865 . 8 1 1 A 80 80 GLN HA H 80 3.648 3.860 -0.212 1
1 870 . 8 1 1 A 80 80 GLN C C 80 175.327 174.805 0.522 1
1 871 . 8 1 1 A 80 80 GLN CA C 80 57.975 57.329 0.646 1
1 872 . 8 1 1 A 80 80 GLN CB C 80 26.506 26.973 -0.467 1
1 874 . 8 1 1 A 80 80 GLN N N 80 108.385 120.592 -12.207 1
1 875 . 8 1 1 A 81 81 LYS H H 81 7.608 7.730 -0.122 1
1 876 . 8 1 1 A 81 81 LYS HA H 81 4.325 4.583 -0.258 1
1 885 . 8 1 1 A 81 81 LYS C C 81 176.242 175.946 0.296 1
1 886 . 8 1 1 A 81 81 LYS CA C 81 54.186 54.546 -0.360 1
1 887 . 8 1 1 A 81 81 LYS CB C 81 33.385 34.264 -0.879 1
1 891 . 8 1 1 A 81 81 LYS N N 81 119.675 119.502 0.173 1
1 892 . 8 1 1 A 82 82 SER H H 82 7.692 8.285 -0.593 1
1 893 . 8 1 1 A 82 82 SER HA H 82 3.850 4.374 -0.524 1
1 896 . 8 1 1 A 82 82 SER C C 82 174.045 174.106 -0.061 1
1 897 . 8 1 1 A 82 82 SER CA C 82 60.984 58.444 2.540 1
1 898 . 8 1 1 A 82 82 SER CB C 82 62.962 63.634 -0.672 1
1 899 . 8 1 1 A 82 82 SER N N 82 117.008 114.092 2.916 1
1 900 . 8 1 1 A 83 83 PHE H H 83 8.545 7.528 1.017 1
1 901 . 8 1 1 A 83 83 PHE HA H 83 4.921 5.226 -0.305 1
1 908 . 8 1 1 A 83 83 PHE C C 83 172.686 175.090 -2.404 1
1 909 . 8 1 1 A 83 83 PHE CA C 83 55.383 56.735 -1.352 1
1 910 . 8 1 1 A 83 83 PHE CB C 83 37.774 40.069 -2.295 1
1 915 . 8 1 1 A 83 83 PHE N N 83 124.073 119.952 4.121 1
1 916 . 8 1 1 A 84 84 VAL H H 84 8.420 8.790 -0.370 1
1 917 . 8 1 1 A 84 84 VAL HA H 84 5.348 5.083 0.265 1
1 925 . 8 1 1 A 84 84 VAL C C 84 175.816 174.777 1.039 1
1 926 . 8 1 1 A 84 84 VAL CA C 84 60.177 60.546 -0.369 1
1 927 . 8 1 1 A 84 84 VAL CB C 84 37.646 35.966 1.680 1
1 930 . 8 1 1 A 84 84 VAL N N 84 123.085 122.664 0.421 1
1 931 . 8 1 1 A 85 85 PHE H H 85 8.812 8.917 -0.105 1
1 932 . 8 1 1 A 85 85 PHE HA H 85 5.510 5.149 0.361 1
1 940 . 8 1 1 A 85 85 PHE C C 85 171.610 174.559 -2.949 1
1 941 . 8 1 1 A 85 85 PHE CA C 85 55.360 56.152 -0.792 1
1 942 . 8 1 1 A 85 85 PHE CB C 85 41.424 40.953 0.471 1
1 948 . 8 1 1 A 85 85 PHE N N 85 122.454 124.469 -2.015 1
1 949 . 8 1 1 A 86 86 ILE H H 86 9.406 9.129 0.277 1
1 950 . 8 1 1 A 86 86 ILE HA H 86 4.844 5.052 -0.208 1
1 960 . 8 1 1 A 86 86 ILE C C 86 175.559 174.931 0.628 1
1 961 . 8 1 1 A 86 86 ILE CA C 86 60.323 60.368 -0.045 1
1 962 . 8 1 1 A 86 86 ILE CB C 86 42.374 40.327 2.047 1
1 966 . 8 1 1 A 86 86 ILE N N 86 120.483 123.963 -3.480 1
1 967 . 8 1 1 A 87 87 LEU H H 87 9.450 9.227 0.223 1
1 968 . 8 1 1 A 87 87 LEU HA H 87 5.238 5.678 -0.440 1
1 978 . 8 1 1 A 87 87 LEU C C 87 175.145 176.114 -0.969 1
1 979 . 8 1 1 A 87 87 LEU CA C 87 52.778 53.164 -0.386 1
1 980 . 8 1 1 A 87 87 LEU CB C 87 40.657 44.201 -3.544 1
1 984 . 8 1 1 A 87 87 LEU N N 87 126.149 127.493 -1.344 1
1 985 . 8 1 1 A 88 88 GLU H H 88 9.120 9.219 -0.099 1
1 986 . 8 1 1 A 88 88 GLU HA H 88 4.986 4.978 0.008 1
1 991 . 8 1 1 A 88 88 GLU CA C 88 52.677 52.838 -0.161 1
1 992 . 8 1 1 A 88 88 GLU CB C 88 31.511 30.977 0.534 1
1 994 . 8 1 1 A 88 88 GLU N N 88 126.028 123.817 2.211 1
1 995 . 8 1 1 A 89 89 PRO HA H 89 4.239 3.962 0.277 1
1 1002 . 8 1 1 A 89 89 PRO C C 89 177.398 176.775 0.623 1
1 1003 . 8 1 1 A 89 89 PRO CA C 89 63.214 62.594 0.620 1
1 1004 . 8 1 1 A 89 89 PRO CB C 89 32.855 32.724 0.131 1
1 1007 . 8 1 1 A 90 90 LYS H H 90 8.166 8.454 -0.288 1
1 1008 . 8 1 1 A 90 90 LYS HA H 90 4.041 4.483 -0.442 1
1 1017 . 8 1 1 A 90 90 LYS C C 90 177.384 177.171 0.213 1
1 1018 . 8 1 1 A 90 90 LYS CA C 90 58.404 56.077 2.327 1
1 1019 . 8 1 1 A 90 90 LYS CB C 90 33.133 33.388 -0.255 1
1 1023 . 8 1 1 A 90 90 LYS N N 90 121.350 120.860 0.490 1
1 1024 . 8 1 1 A 91 91 GLN H H 91 8.252 7.944 0.308 1
1 1025 . 8 1 1 A 91 91 GLN HA H 91 4.423 4.011 0.412 1
1 1032 . 8 1 1 A 91 91 GLN C C 91 175.039 176.445 -1.406 1
1 1033 . 8 1 1 A 91 91 GLN CA C 91 54.303 58.662 -4.359 1
1 1034 . 8 1 1 A 91 91 GLN CB C 91 29.208 28.781 0.427 1
1 1036 . 8 1 1 A 91 91 GLN N N 91 118.759 119.703 -0.944 1
1 1038 . 8 1 1 A 92 92 GLN H H 92 8.460 7.453 1.007 1
1 1039 . 8 1 1 A 92 92 GLN HA H 92 4.057 4.541 -0.484 1
1 1044 . 8 1 1 A 92 92 GLN C C 92 177.080 176.147 0.933 1
1 1045 . 8 1 1 A 92 92 GLN CA C 92 57.446 57.135 0.311 1
1 1046 . 8 1 1 A 92 92 GLN CB C 92 28.472 30.631 -2.159 1
1 1048 . 8 1 1 A 92 92 GLN N N 92 124.928 114.679 10.249 1
1 1049 . 8 1 1 A 93 93 GLY H H 93 8.870 7.980 0.890 1
1 1050 . 8 1 1 A 93 93 GLY HA2 H 93 3.639 4.073 -0.434 1
1 1051 . 8 1 1 A 93 93 GLY HA3 H 93 4.338 4.077 0.261 1
1 1052 . 8 1 1 A 93 93 GLY C C 93 174.298 173.967 0.331 1
1 1053 . 8 1 1 A 93 93 GLY CA C 93 45.336 45.603 -0.267 1
1 1054 . 8 1 1 A 93 93 GLY N N 93 113.393 106.523 6.870 1
1 1055 . 8 1 1 A 94 94 ASP H H 94 7.546 7.521 0.025 1
1 1056 . 8 1 1 A 94 94 ASP HA H 94 5.056 4.785 0.271 1
1 1059 . 8 1 1 A 94 94 ASP CA C 94 52.662 52.746 -0.084 1
1 1060 . 8 1 1 A 94 94 ASP CB C 94 40.179 39.730 0.449 1
1 1061 . 8 1 1 A 94 94 ASP N N 94 123.111 119.970 3.141 1
1 1062 . 8 1 1 A 95 95 PRO HA H 95 4.933 4.744 0.189 1
1 1069 . 8 1 1 A 95 95 PRO CA C 95 61.243 61.459 -0.216 1
1 1070 . 8 1 1 A 95 95 PRO CB C 95 31.234 31.819 -0.585 1
1 1073 . 8 1 1 A 96 96 PRO HA H 96 5.190 5.026 0.164 1
1 1080 . 8 1 1 A 96 96 PRO C C 96 176.664 175.537 1.127 1
1 1081 . 8 1 1 A 96 96 PRO CA C 96 62.399 62.485 -0.086 1
1 1082 . 8 1 1 A 96 96 PRO CB C 96 32.850 33.059 -0.209 1
1 1085 . 8 1 1 A 97 97 VAL H H 97 8.448 8.303 0.145 1
1 1086 . 8 1 1 A 97 97 VAL HA H 97 4.145 4.647 -0.502 1
1 1094 . 8 1 1 A 97 97 VAL C C 97 174.020 175.088 -1.068 1
1 1095 . 8 1 1 A 97 97 VAL CA C 97 61.710 60.799 0.911 1
1 1096 . 8 1 1 A 97 97 VAL CB C 97 33.977 35.163 -1.186 1
1 1099 . 8 1 1 A 97 97 VAL N N 97 121.904 119.979 1.925 1
1 1100 . 8 1 1 A 98 98 GLU H H 98 8.599 8.771 -0.172 1
1 1101 . 8 1 1 A 98 98 GLU HA H 98 4.778 5.228 -0.450 1
1 1106 . 8 1 1 A 98 98 GLU C C 98 173.807 176.001 -2.194 1
1 1107 . 8 1 1 A 98 98 GLU CA C 98 55.674 55.376 0.298 1
1 1108 . 8 1 1 A 98 98 GLU CB C 98 30.827 32.329 -1.502 1
1 1110 . 8 1 1 A 98 98 GLU N N 98 126.577 127.029 -0.452 1
1 1111 . 8 1 1 A 99 99 PHE H H 99 8.701 9.057 -0.356 1
1 1112 . 8 1 1 A 99 99 PHE HA H 99 5.773 5.822 -0.049 1
1 1120 . 8 1 1 A 99 99 PHE C C 99 174.648 174.822 -0.174 1
1 1121 . 8 1 1 A 99 99 PHE CA C 99 55.799 57.035 -1.236 1
1 1122 . 8 1 1 A 99 99 PHE CB C 99 44.025 44.392 -0.367 1
1 1128 . 8 1 1 A 99 99 PHE N N 99 120.755 120.590 0.165 1
1 1129 . 8 1 1 A 100 100 ALA H H 100 8.737 8.780 -0.043 1
1 1130 . 8 1 1 A 100 100 ALA HA H 100 5.669 5.068 0.601 1
1 1134 . 8 1 1 A 100 100 ALA C C 100 176.491 176.102 0.389 1
1 1135 . 8 1 1 A 100 100 ALA CA C 100 49.850 51.716 -1.866 1
1 1136 . 8 1 1 A 100 100 ALA CB C 100 23.399 22.602 0.797 1
1 1137 . 8 1 1 A 100 100 ALA N N 100 118.211 122.194 -3.983 1
1 1138 . 8 1 1 A 101 101 THR H H 101 8.272 8.763 -0.491 1
1 1139 . 8 1 1 A 101 101 THR HA H 101 5.232 4.951 0.281 1
1 1144 . 8 1 1 A 101 101 THR C C 101 174.787 174.176 0.611 1
1 1145 . 8 1 1 A 101 101 THR CA C 101 59.068 60.233 -1.165 1
1 1146 . 8 1 1 A 101 101 THR CB C 101 70.089 70.834 -0.745 1
1 1148 . 8 1 1 A 101 101 THR N N 101 108.062 111.732 -3.670 1
1 1149 . 8 1 1 A 102 102 ASP H H 102 8.625 8.652 -0.027 1
1 1150 . 8 1 1 A 102 102 ASP HA H 102 5.009 4.805 0.204 1
1 1153 . 8 1 1 A 102 102 ASP C C 102 177.730 175.913 1.817 1
1 1154 . 8 1 1 A 102 102 ASP CA C 102 56.976 53.829 3.147 1
1 1155 . 8 1 1 A 102 102 ASP CB C 102 42.543 42.616 -0.073 1
1 1156 . 8 1 1 A 102 102 ASP N N 102 118.482 119.407 -0.925 1
1 1157 . 8 1 1 A 103 103 ARG H H 103 8.208 7.633 0.575 1
1 1158 . 8 1 1 A 103 103 ARG HA H 103 4.772 4.815 -0.043 1
1 1165 . 8 1 1 A 103 103 ARG C C 103 178.000 176.446 1.554 1
1 1166 . 8 1 1 A 103 103 ARG CA C 103 54.079 54.010 0.069 1
1 1167 . 8 1 1 A 103 103 ARG CB C 103 33.914 33.336 0.578 1
1 1170 . 8 1 1 A 103 103 ARG N N 103 116.043 119.205 -3.162 1
1 1171 . 8 1 1 A 104 104 VAL H H 104 8.516 8.561 -0.045 1
1 1172 . 8 1 1 A 104 104 VAL HA H 104 2.857 3.691 -0.834 1
1 1180 . 8 1 1 A 104 104 VAL C C 104 176.158 177.818 -1.660 1
1 1181 . 8 1 1 A 104 104 VAL CA C 104 64.625 64.505 0.120 1
1 1182 . 8 1 1 A 104 104 VAL CB C 104 30.883 31.460 -0.577 1
1 1185 . 8 1 1 A 104 104 VAL N N 104 128.496 122.955 5.541 1
1 1186 . 8 1 1 A 105 105 GLU H H 105 9.414 8.248 1.166 1
1 1187 . 8 1 1 A 105 105 GLU HA H 105 3.989 4.030 -0.041 1
1 1192 . 8 1 1 A 105 105 GLU C C 105 179.982 179.639 0.343 1
1 1193 . 8 1 1 A 105 105 GLU CA C 105 60.599 59.694 0.905 1
1 1194 . 8 1 1 A 105 105 GLU CB C 105 27.973 29.202 -1.229 1
1 1196 . 8 1 1 A 105 105 GLU N N 105 121.934 122.897 -0.963 1
1 1197 . 8 1 1 A 106 106 GLU H H 106 6.769 8.236 -1.467 1
1 1198 . 8 1 1 A 106 106 GLU HA H 106 4.370 4.091 0.279 1
1 1203 . 8 1 1 A 106 106 GLU C C 106 178.312 179.270 -0.958 1
1 1204 . 8 1 1 A 106 106 GLU CA C 106 58.503 59.173 -0.670 1
1 1205 . 8 1 1 A 106 106 GLU CB C 106 30.657 29.241 1.416 1
1 1207 . 8 1 1 A 106 106 GLU N N 106 116.721 120.305 -3.584 1
1 1208 . 8 1 1 A 107 107 LEU H H 107 7.161 7.953 -0.792 1
1 1209 . 8 1 1 A 107 107 LEU HA H 107 4.040 4.114 -0.074 1
1 1219 . 8 1 1 A 107 107 LEU C C 107 177.985 178.228 -0.243 1
1 1220 . 8 1 1 A 107 107 LEU CA C 107 58.930 58.059 0.871 1
1 1221 . 8 1 1 A 107 107 LEU CB C 107 40.058 42.034 -1.976 1
1 1225 . 8 1 1 A 107 107 LEU N N 107 122.171 122.440 -0.269 1
1 1226 . 8 1 1 A 108 108 PHE H H 108 7.986 8.455 -0.469 1
1 1227 . 8 1 1 A 108 108 PHE HA H 108 4.199 4.035 0.164 1
1 1234 . 8 1 1 A 108 108 PHE C C 108 178.069 177.939 0.130 1
1 1235 . 8 1 1 A 108 108 PHE CA C 108 61.167 60.904 0.263 1
1 1236 . 8 1 1 A 108 108 PHE CB C 108 38.208 38.334 -0.126 1
1 1241 . 8 1 1 A 108 108 PHE N N 108 116.696 118.542 -1.846 1
1 1242 . 8 1 1 A 109 109 GLU H H 109 7.719 8.612 -0.893 1
1 1243 . 8 1 1 A 109 109 GLU HA H 109 3.951 4.062 -0.111 1
1 1248 . 8 1 1 A 109 109 GLU C C 109 179.858 179.090 0.768 1
1 1249 . 8 1 1 A 109 109 GLU CA C 109 59.664 59.112 0.552 1
1 1250 . 8 1 1 A 109 109 GLU CB C 109 29.923 29.653 0.270 1
1 1252 . 8 1 1 A 109 109 GLU N N 109 119.214 120.591 -1.377 1
1 1253 . 8 1 1 A 110 110 TRP H H 110 8.445 7.971 0.474 1
1 1254 . 8 1 1 A 110 110 TRP HA H 110 3.634 4.244 -0.610 1
1 1263 . 8 1 1 A 110 110 TRP C C 110 177.691 178.856 -1.165 1
1 1264 . 8 1 1 A 110 110 TRP CA C 110 62.078 60.245 1.833 1
1 1265 . 8 1 1 A 110 110 TRP CB C 110 29.275 28.734 0.541 1
1 1271 . 8 1 1 A 110 110 TRP N N 110 120.045 120.747 -0.702 1
1 1273 . 8 1 1 A 111 111 PHE H H 111 8.668 7.802 0.866 1
1 1274 . 8 1 1 A 111 111 PHE HA H 111 3.436 4.007 -0.571 1
1 1282 . 8 1 1 A 111 111 PHE C C 111 176.547 177.540 -0.993 1
1 1283 . 8 1 1 A 111 111 PHE CA C 111 62.182 61.477 0.705 1
1 1284 . 8 1 1 A 111 111 PHE CB C 111 39.904 37.329 2.575 1
1 1290 . 8 1 1 A 111 111 PHE N N 111 117.907 117.523 0.384 1
1 1291 . 8 1 1 A 112 112 GLN H H 112 8.254 7.841 0.413 1
1 1292 . 8 1 1 A 112 112 GLN HA H 112 3.685 3.854 -0.169 1
1 1299 . 8 1 1 A 112 112 GLN C C 112 178.503 178.004 0.499 1
1 1300 . 8 1 1 A 112 112 GLN CA C 112 58.624 58.662 -0.038 1
1 1301 . 8 1 1 A 112 112 GLN CB C 112 27.980 28.596 -0.616 1
1 1303 . 8 1 1 A 112 112 GLN N N 112 116.394 120.678 -4.284 1
1 1305 . 8 1 1 A 113 113 SER H H 113 7.741 7.288 0.453 1
1 1306 . 8 1 1 A 113 113 SER HA H 113 4.036 4.206 -0.170 1
1 1309 . 8 1 1 A 113 113 SER C C 113 176.428 177.396 -0.968 1
1 1310 . 8 1 1 A 113 113 SER CA C 113 62.062 61.288 0.774 1
1 1311 . 8 1 1 A 113 113 SER CB C 113 62.655 62.747 -0.092 1
1 1312 . 8 1 1 A 113 113 SER N N 113 114.734 114.380 0.354 1
1 1313 . 8 1 1 A 114 114 ILE H H 114 7.915 7.886 0.029 1
1 1314 . 8 1 1 A 114 114 ILE HA H 114 3.559 3.658 -0.099 1
1 1324 . 8 1 1 A 114 114 ILE C C 114 178.594 178.543 0.051 1
1 1325 . 8 1 1 A 114 114 ILE CA C 114 65.364 65.113 0.251 1
1 1326 . 8 1 1 A 114 114 ILE CB C 114 38.395 37.399 0.996 1
1 1330 . 8 1 1 A 114 114 ILE N N 114 119.893 121.253 -1.360 1
1 1331 . 8 1 1 A 115 115 ARG H H 115 8.581 8.078 0.503 1
1 1332 . 8 1 1 A 115 115 ARG HA H 115 3.881 4.368 -0.487 1
1 1339 . 8 1 1 A 115 115 ARG C C 115 177.921 179.310 -1.389 1
1 1340 . 8 1 1 A 115 115 ARG CA C 115 58.689 59.609 -0.920 1
1 1341 . 8 1 1 A 115 115 ARG CB C 115 29.134 29.811 -0.677 1
1 1344 . 8 1 1 A 115 115 ARG N N 115 123.090 121.029 2.061 1
1 1345 . 8 1 1 A 116 116 GLU H H 116 7.653 8.072 -0.419 1
1 1346 . 8 1 1 A 116 116 GLU HA H 116 3.959 4.148 -0.189 1
1 1351 . 8 1 1 A 116 116 GLU C C 116 178.178 177.522 0.656 1
1 1352 . 8 1 1 A 116 116 GLU CA C 116 58.767 58.776 -0.009 1
1 1353 . 8 1 1 A 116 116 GLU CB C 116 29.501 29.385 0.116 1
1 1355 . 8 1 1 A 116 116 GLU N N 116 116.356 119.153 -2.797 1
1 1356 . 8 1 1 A 117 117 ILE H H 117 7.334 7.175 0.159 1
1 1357 . 8 1 1 A 117 117 ILE HA H 117 3.909 4.163 -0.254 1
1 1367 . 8 1 1 A 117 117 ILE C C 117 177.733 177.530 0.203 1
1 1368 . 8 1 1 A 117 117 ILE CA C 117 63.443 62.169 1.274 1
1 1369 . 8 1 1 A 117 117 ILE CB C 117 39.059 38.753 0.306 1
1 1373 . 8 1 1 A 117 117 ILE N N 117 117.514 118.558 -1.044 1
1 1374 . 8 1 1 A 118 118 THR H H 118 8.075 7.639 0.436 1
1 1375 . 8 1 1 A 118 118 THR HA H 118 4.367 4.540 -0.173 1
1 1380 . 8 1 1 A 118 118 THR C C 118 176.050 176.437 -0.387 1
1 1381 . 8 1 1 A 118 118 THR CA C 118 63.494 63.183 0.311 1
1 1382 . 8 1 1 A 118 118 THR CB C 118 70.326 69.918 0.408 1
1 1384 . 8 1 1 A 118 118 THR N N 118 109.879 111.389 -1.510 1
1 1385 . 8 1 1 A 119 119 TRP H H 119 8.283 8.560 -0.277 1
1 1386 . 8 1 1 A 119 119 TRP HA H 119 4.792 4.564 0.228 1
1 1395 . 8 1 1 A 119 119 TRP C C 119 175.855 176.504 -0.649 1
1 1396 . 8 1 1 A 119 119 TRP CA C 119 57.464 59.278 -1.814 1
1 1397 . 8 1 1 A 119 119 TRP CB C 119 29.488 29.504 -0.016 1
1 1403 . 8 1 1 A 119 119 TRP N N 119 124.034 122.062 1.972 1
1 1405 . 8 1 1 A 120 120 LYS H H 120 7.723 7.504 0.219 1
1 1406 . 8 1 1 A 120 120 LYS HA H 120 4.198 5.088 -0.890 1
1 1415 . 8 1 1 A 120 120 LYS C C 120 176.162 174.959 1.203 1
1 1416 . 8 1 1 A 120 120 LYS CA C 120 56.049 54.926 1.123 1
1 1417 . 8 1 1 A 120 120 LYS CB C 120 32.924 35.831 -2.907 1
1 1421 . 8 1 1 A 120 120 LYS N N 120 123.166 119.177 3.989 1
1 1422 . 8 1 1 A 121 121 ILE H H 121 7.874 8.972 -1.098 1
1 1423 . 8 1 1 A 121 121 ILE HA H 121 4.035 4.690 -0.655 1
1 1433 . 8 1 1 A 121 121 ILE C C 121 175.950 174.630 1.320 1
1 1434 . 8 1 1 A 121 121 ILE CA C 121 61.120 59.900 1.220 1
1 1435 . 8 1 1 A 121 121 ILE CB C 121 38.708 40.297 -1.589 1
1 1439 . 8 1 1 A 121 121 ILE N N 121 121.301 126.667 -5.366 1
1 1440 . 8 1 1 A 122 122 ASP H H 122 8.317 8.689 -0.372 1
1 1441 . 8 1 1 A 122 122 ASP HA H 122 4.677 5.521 -0.844 1
1 1444 . 8 1 1 A 122 122 ASP C C 122 176.278 174.635 1.643 1
1 1445 . 8 1 1 A 122 122 ASP CA C 122 54.157 52.772 1.385 1
1 1446 . 8 1 1 A 122 122 ASP CB C 122 41.316 43.624 -2.308 1
1 1447 . 8 1 1 A 122 122 ASP N N 122 124.058 123.001 1.057 1
1 1448 . 8 1 1 A 123 123 THR H H 123 8.003 9.089 -1.086 1
1 1449 . 8 1 1 A 123 123 THR HA H 123 4.307 4.947 -0.640 1
1 1454 . 8 1 1 A 123 123 THR C C 123 173.831 173.045 0.786 1
1 1455 . 8 1 1 A 123 123 THR CA C 123 61.715 60.464 1.251 1
1 1456 . 8 1 1 A 123 123 THR CB C 123 69.736 71.353 -1.617 1
1 1458 . 8 1 1 A 123 123 THR N N 123 114.853 120.323 -5.470 1
1 2 . 9 1 1 A 9 9 LYS H H 9 8.338 8.890 -0.552 1
1 3 . 9 1 1 A 9 9 LYS C C 9 176.402 176.023 0.379 1
1 4 . 9 1 1 A 9 9 LYS N N 9 122.857 128.944 -6.087 1
1 5 . 9 1 1 A 10 10 ASP H H 10 8.335 8.558 -0.223 1
1 6 . 9 1 1 A 10 10 ASP HA H 10 4.562 4.767 -0.205 1
1 9 . 9 1 1 A 10 10 ASP C C 10 176.123 175.299 0.824 1
1 10 . 9 1 1 A 10 10 ASP CA C 10 54.344 52.544 1.800 1
1 11 . 9 1 1 A 10 10 ASP CB C 10 41.227 41.731 -0.504 1
1 12 . 9 1 1 A 10 10 ASP N N 10 121.507 125.312 -3.805 1
1 13 . 9 1 1 A 11 11 GLU H H 11 8.231 8.408 -0.177 1
1 14 . 9 1 1 A 11 11 GLU HA H 11 4.222 4.654 -0.432 1
1 19 . 9 1 1 A 11 11 GLU CA C 11 56.356 55.044 1.312 1
1 20 . 9 1 1 A 11 11 GLU CB C 11 30.439 31.505 -1.066 1
1 22 . 9 1 1 A 11 11 GLU N N 11 121.321 121.898 -0.577 1
1 23 . 9 1 1 A 12 12 HIS H H 12 8.431 8.927 -0.496 1
1 24 . 9 1 1 A 12 12 HIS HA H 12 4.618 4.483 0.135 1
1 28 . 9 1 1 A 12 12 HIS C C 12 174.980 175.277 -0.297 1
1 29 . 9 1 1 A 12 12 HIS CA C 12 55.952 58.657 -2.705 1
1 30 . 9 1 1 A 12 12 HIS CB C 12 30.058 30.068 -0.010 1
1 32 . 9 1 1 A 12 12 HIS N N 12 120.447 125.536 -5.089 1
1 33 . 9 1 1 A 13 13 LYS H H 13 8.191 7.779 0.412 1
1 34 . 9 1 1 A 13 13 LYS HA H 13 4.355 4.598 -0.243 1
1 43 . 9 1 1 A 13 13 LYS C C 13 175.327 174.367 0.960 1
1 44 . 9 1 1 A 13 13 LYS CA C 13 55.620 55.045 0.575 1
1 45 . 9 1 1 A 13 13 LYS CB C 13 33.729 36.151 -2.422 1
1 49 . 9 1 1 A 13 13 LYS N N 13 124.365 116.617 7.748 1
1 50 . 9 1 1 A 14 14 GLN H H 14 8.229 8.991 -0.762 1
1 51 . 9 1 1 A 14 14 GLN HA H 14 4.037 4.664 -0.627 1
1 58 . 9 1 1 A 14 14 GLN C C 14 173.432 174.957 -1.525 1
1 59 . 9 1 1 A 14 14 GLN CA C 14 54.613 54.555 0.058 1
1 60 . 9 1 1 A 14 14 GLN CB C 14 29.096 29.648 -0.552 1
1 62 . 9 1 1 A 14 14 GLN N N 14 123.823 124.356 -0.533 1
1 64 . 9 1 1 A 15 15 GLN H H 15 7.896 8.836 -0.940 1
1 65 . 9 1 1 A 15 15 GLN HA H 15 5.459 5.314 0.145 1
1 70 . 9 1 1 A 15 15 GLN C C 15 174.263 174.283 -0.020 1
1 71 . 9 1 1 A 15 15 GLN CA C 15 54.506 54.038 0.468 1
1 72 . 9 1 1 A 15 15 GLN CB C 15 31.418 32.683 -1.265 1
1 74 . 9 1 1 A 15 15 GLN N N 15 121.452 123.912 -2.460 1
1 75 . 9 1 1 A 16 16 GLY H H 16 8.795 8.359 0.436 1
1 76 . 9 1 1 A 16 16 GLY HA2 H 16 4.056 4.210 -0.154 1
1 77 . 9 1 1 A 16 16 GLY HA3 H 16 4.801 4.478 0.323 1
1 78 . 9 1 1 A 16 16 GLY C C 16 171.456 171.441 0.015 1
1 79 . 9 1 1 A 16 16 GLY CA C 16 44.773 46.224 -1.451 1
1 80 . 9 1 1 A 16 16 GLY N N 16 107.937 106.883 1.054 1
1 81 . 9 1 1 A 17 17 GLU H H 17 8.718 8.638 0.080 1
1 82 . 9 1 1 A 17 17 GLU HA H 17 5.220 5.449 -0.229 1
1 87 . 9 1 1 A 17 17 GLU C C 17 176.562 175.057 1.505 1
1 88 . 9 1 1 A 17 17 GLU CA C 17 55.880 54.597 1.283 1
1 89 . 9 1 1 A 17 17 GLU CB C 17 30.995 33.882 -2.887 1
1 91 . 9 1 1 A 17 17 GLU N N 17 119.686 122.404 -2.718 1
1 92 . 9 1 1 A 18 18 LEU H H 18 8.806 8.615 0.191 1
1 93 . 9 1 1 A 18 18 LEU HA H 18 4.652 4.752 -0.100 1
1 103 . 9 1 1 A 18 18 LEU C C 18 176.851 174.582 2.269 1
1 104 . 9 1 1 A 18 18 LEU CA C 18 53.786 53.264 0.522 1
1 105 . 9 1 1 A 18 18 LEU CB C 18 47.961 45.500 2.461 1
1 109 . 9 1 1 A 18 18 LEU N N 18 122.158 122.731 -0.573 1
1 110 . 9 1 1 A 19 19 TYR H H 19 8.833 8.188 0.645 1
1 111 . 9 1 1 A 19 19 TYR HA H 19 5.837 5.399 0.438 1
1 118 . 9 1 1 A 19 19 TYR C C 19 176.038 175.420 0.618 1
1 119 . 9 1 1 A 19 19 TYR CA C 19 56.750 56.381 0.369 1
1 120 . 9 1 1 A 19 19 TYR CB C 19 40.531 40.779 -0.248 1
1 125 . 9 1 1 A 19 19 TYR N N 19 117.278 120.393 -3.115 1
1 126 . 9 1 1 A 20 20 MET H H 20 9.743 8.823 0.920 1
1 127 . 9 1 1 A 20 20 MET HA H 20 5.207 5.280 -0.073 1
1 135 . 9 1 1 A 20 20 MET C C 20 175.349 175.207 0.142 1
1 136 . 9 1 1 A 20 20 MET CA C 20 54.611 54.172 0.439 1
1 137 . 9 1 1 A 20 20 MET CB C 20 37.352 35.542 1.810 1
1 140 . 9 1 1 A 20 20 MET N N 20 120.128 122.207 -2.079 1
1 141 . 9 1 1 A 21 21 TRP H H 21 8.142 8.354 -0.212 1
1 142 . 9 1 1 A 21 21 TRP HA H 21 4.084 3.746 0.338 1
1 150 . 9 1 1 A 21 21 TRP C C 21 174.752 174.394 0.358 1
1 151 . 9 1 1 A 21 21 TRP CA C 21 56.246 58.254 -2.008 1
1 152 . 9 1 1 A 21 21 TRP CB C 21 29.682 29.853 -0.171 1
1 157 . 9 1 1 A 21 21 TRP N N 21 126.799 124.907 1.892 1
1 159 . 9 1 1 A 22 22 ASP H H 22 8.034 7.525 0.509 1
1 160 . 9 1 1 A 22 22 ASP HA H 22 4.417 4.533 -0.116 1
1 163 . 9 1 1 A 22 22 ASP C C 22 175.814 175.814 0.000 1
1 164 . 9 1 1 A 22 22 ASP CA C 22 52.020 52.339 -0.319 1
1 165 . 9 1 1 A 22 22 ASP CB C 22 41.748 41.210 0.538 1
1 166 . 9 1 1 A 22 22 ASP N N 22 129.313 126.952 2.361 1
1 167 . 9 1 1 A 23 23 SER H H 23 8.331 8.318 0.013 1
1 168 . 9 1 1 A 23 23 SER HA H 23 3.719 3.896 -0.177 1
1 171 . 9 1 1 A 23 23 SER C C 23 175.145 176.562 -1.417 1
1 172 . 9 1 1 A 23 23 SER CA C 23 59.732 60.596 -0.864 1
1 173 . 9 1 1 A 23 23 SER CB C 23 63.304 62.858 0.446 1
1 174 . 9 1 1 A 23 23 SER N N 23 119.796 118.280 1.516 1
1 175 . 9 1 1 A 24 24 ILE H H 24 8.044 7.554 0.490 1
1 176 . 9 1 1 A 24 24 ILE HA H 24 3.849 3.514 0.335 1
1 186 . 9 1 1 A 24 24 ILE C C 24 177.615 176.988 0.627 1
1 187 . 9 1 1 A 24 24 ILE CA C 24 63.257 65.503 -2.246 1
1 188 . 9 1 1 A 24 24 ILE CB C 24 36.400 37.960 -1.560 1
1 192 . 9 1 1 A 24 24 ILE N N 24 124.085 122.443 1.642 1
1 193 . 9 1 1 A 25 25 ASP H H 25 7.641 7.800 -0.159 1
1 194 . 9 1 1 A 25 25 ASP HA H 25 4.492 4.659 -0.167 1
1 197 . 9 1 1 A 25 25 ASP C C 25 175.486 175.016 0.470 1
1 198 . 9 1 1 A 25 25 ASP CA C 25 54.313 53.534 0.779 1
1 199 . 9 1 1 A 25 25 ASP CB C 25 40.789 41.334 -0.545 1
1 200 . 9 1 1 A 25 25 ASP N N 25 118.371 118.441 -0.070 1
1 201 . 9 1 1 A 26 26 GLN H H 26 7.340 7.504 -0.164 1
1 202 . 9 1 1 A 26 26 GLN HA H 26 2.828 3.476 -0.648 1
1 209 . 9 1 1 A 26 26 GLN C C 26 173.882 174.532 -0.650 1
1 210 . 9 1 1 A 26 26 GLN CA C 26 55.956 56.618 -0.662 1
1 211 . 9 1 1 A 26 26 GLN CB C 26 25.070 26.670 -1.600 1
1 213 . 9 1 1 A 26 26 GLN N N 26 116.358 116.012 0.346 1
1 215 . 9 1 1 A 27 27 LYS H H 27 6.283 6.574 -0.291 1
1 216 . 9 1 1 A 27 27 LYS HA H 27 4.395 4.820 -0.425 1
1 225 . 9 1 1 A 27 27 LYS C C 27 173.510 174.208 -0.698 1
1 226 . 9 1 1 A 27 27 LYS CA C 27 54.164 55.066 -0.902 1
1 227 . 9 1 1 A 27 27 LYS CB C 27 35.825 34.125 1.700 1
1 231 . 9 1 1 A 27 27 LYS N N 27 114.611 113.701 0.910 1
1 232 . 9 1 1 A 28 28 TRP H H 28 8.751 8.759 -0.008 1
1 233 . 9 1 1 A 28 28 TRP HA H 28 5.383 5.513 -0.130 1
1 242 . 9 1 1 A 28 28 TRP C C 28 177.411 176.343 1.068 1
1 243 . 9 1 1 A 28 28 TRP CA C 28 55.957 56.060 -0.103 1
1 244 . 9 1 1 A 28 28 TRP CB C 28 30.752 31.540 -0.788 1
1 250 . 9 1 1 A 28 28 TRP N N 28 121.520 119.310 2.210 1
1 252 . 9 1 1 A 29 29 THR H H 29 9.413 8.889 0.524 1
1 253 . 9 1 1 A 29 29 THR HA H 29 4.852 5.044 -0.192 1
1 258 . 9 1 1 A 29 29 THR C C 29 173.520 172.176 1.344 1
1 259 . 9 1 1 A 29 29 THR CA C 29 60.308 59.588 0.720 1
1 260 . 9 1 1 A 29 29 THR CB C 29 69.736 71.842 -2.106 1
1 262 . 9 1 1 A 29 29 THR N N 29 117.059 113.184 3.875 1
1 263 . 9 1 1 A 30 30 ARG H H 30 9.117 8.740 0.377 1
1 264 . 9 1 1 A 30 30 ARG HA H 30 4.790 4.144 0.646 1
1 272 . 9 1 1 A 30 30 ARG C C 30 174.447 175.177 -0.730 1
1 273 . 9 1 1 A 30 30 ARG CA C 30 55.949 54.732 1.217 1
1 274 . 9 1 1 A 30 30 ARG CB C 30 33.388 31.494 1.894 1
1 277 . 9 1 1 A 30 30 ARG N N 30 126.027 121.736 4.291 1
1 278 . 9 1 1 A 31 31 HIS H H 31 9.011 8.760 0.251 1
1 279 . 9 1 1 A 31 31 HIS HA H 31 4.636 5.074 -0.438 1
1 282 . 9 1 1 A 31 31 HIS C C 31 173.947 173.639 0.308 1
1 283 . 9 1 1 A 31 31 HIS CA C 31 55.185 54.527 0.658 1
1 284 . 9 1 1 A 31 31 HIS CB C 31 33.332 33.973 -0.641 1
1 285 . 9 1 1 A 31 31 HIS N N 31 121.017 124.428 -3.411 1
1 286 . 9 1 1 A 32 32 TYR H H 32 9.361 8.956 0.405 1
1 287 . 9 1 1 A 32 32 TYR HA H 32 4.745 5.373 -0.628 1
1 294 . 9 1 1 A 32 32 TYR C C 32 176.298 174.475 1.823 1
1 295 . 9 1 1 A 32 32 TYR CA C 32 59.316 56.540 2.776 1
1 296 . 9 1 1 A 32 32 TYR CB C 32 39.341 40.292 -0.951 1
1 301 . 9 1 1 A 32 32 TYR N N 32 124.440 123.226 1.214 1
1 302 . 9 1 1 A 33 33 CYS H H 33 8.750 8.496 0.254 1
1 303 . 9 1 1 A 33 33 CYS HA H 33 5.857 5.392 0.465 1
1 306 . 9 1 1 A 33 33 CYS C C 33 172.735 173.986 -1.251 1
1 307 . 9 1 1 A 33 33 CYS CA C 33 57.108 57.691 -0.583 1
1 308 . 9 1 1 A 33 33 CYS CB C 33 32.779 30.067 2.712 1
1 309 . 9 1 1 A 33 33 CYS N N 33 127.462 127.071 0.391 1
1 310 . 9 1 1 A 34 34 ALA H H 34 8.565 8.751 -0.186 1
1 311 . 9 1 1 A 34 34 ALA HA H 34 5.290 4.954 0.336 1
1 315 . 9 1 1 A 34 34 ALA C C 34 176.215 175.719 0.496 1
1 316 . 9 1 1 A 34 34 ALA CA C 34 51.773 52.025 -0.252 1
1 317 . 9 1 1 A 34 34 ALA CB C 34 23.139 21.794 1.345 1
1 318 . 9 1 1 A 34 34 ALA N N 34 121.115 122.526 -1.411 1
1 319 . 9 1 1 A 35 35 ILE H H 35 8.413 9.002 -0.589 1
1 320 . 9 1 1 A 35 35 ILE HA H 35 5.275 4.985 0.290 1
1 330 . 9 1 1 A 35 35 ILE C C 35 175.768 175.202 0.566 1
1 331 . 9 1 1 A 35 35 ILE CA C 35 60.105 60.542 -0.437 1
1 332 . 9 1 1 A 35 35 ILE CB C 35 39.737 38.097 1.640 1
1 336 . 9 1 1 A 35 35 ILE N N 35 120.176 123.667 -3.491 1
1 337 . 9 1 1 A 36 36 ALA H H 36 8.666 8.667 -0.001 1
1 338 . 9 1 1 A 36 36 ALA HA H 36 4.581 4.773 -0.192 1
1 342 . 9 1 1 A 36 36 ALA CA C 36 52.028 50.654 1.374 1
1 343 . 9 1 1 A 36 36 ALA CB C 36 21.365 20.950 0.415 1
1 344 . 9 1 1 A 36 36 ALA N N 36 129.732 130.373 -0.641 1
1 345 . 9 1 1 A 37 37 ASP H H 37 9.379 8.895 0.484 1
1 346 . 9 1 1 A 37 37 ASP HA H 37 4.228 4.237 -0.009 1
1 349 . 9 1 1 A 37 37 ASP C C 37 174.579 175.606 -1.027 1
1 350 . 9 1 1 A 37 37 ASP CA C 37 55.822 56.511 -0.689 1
1 351 . 9 1 1 A 37 37 ASP CB C 37 39.784 39.504 0.280 1
1 352 . 9 1 1 A 37 37 ASP N N 37 124.926 119.890 5.036 1
1 353 . 9 1 1 A 38 38 ALA H H 38 8.710 8.331 0.379 1
1 354 . 9 1 1 A 38 38 ALA HA H 38 3.911 4.508 -0.597 1
1 358 . 9 1 1 A 38 38 ALA C C 38 174.866 176.271 -1.405 1
1 359 . 9 1 1 A 38 38 ALA CA C 38 53.040 51.496 1.544 1
1 360 . 9 1 1 A 38 38 ALA CB C 38 17.654 20.132 -2.478 1
1 361 . 9 1 1 A 38 38 ALA N N 38 115.547 123.095 -7.548 1
1 362 . 9 1 1 A 39 39 LYS H H 39 8.054 7.686 0.368 1
1 363 . 9 1 1 A 39 39 LYS HA H 39 5.247 4.946 0.301 1
1 372 . 9 1 1 A 39 39 LYS C C 39 175.201 174.646 0.555 1
1 373 . 9 1 1 A 39 39 LYS CA C 39 54.583 54.857 -0.274 1
1 374 . 9 1 1 A 39 39 LYS CB C 39 34.824 37.098 -2.274 1
1 378 . 9 1 1 A 39 39 LYS N N 39 117.589 116.817 0.772 1
1 379 . 9 1 1 A 40 40 LEU H H 40 9.090 8.718 0.372 1
1 380 . 9 1 1 A 40 40 LEU HA H 40 5.353 5.155 0.198 1
1 390 . 9 1 1 A 40 40 LEU C C 40 175.382 175.401 -0.019 1
1 391 . 9 1 1 A 40 40 LEU CA C 40 53.987 53.614 0.373 1
1 392 . 9 1 1 A 40 40 LEU CB C 40 45.718 44.700 1.018 1
1 396 . 9 1 1 A 40 40 LEU N N 40 126.300 124.908 1.392 1
1 397 . 9 1 1 A 41 41 SER H H 41 9.539 8.879 0.660 1
1 398 . 9 1 1 A 41 41 SER HA H 41 5.493 5.790 -0.297 1
1 401 . 9 1 1 A 41 41 SER C C 41 173.435 174.131 -0.696 1
1 402 . 9 1 1 A 41 41 SER CA C 41 56.816 56.859 -0.043 1
1 403 . 9 1 1 A 41 41 SER CB C 41 65.706 65.112 0.594 1
1 404 . 9 1 1 A 41 41 SER N N 41 123.399 121.561 1.838 1
1 405 . 9 1 1 A 42 42 PHE H H 42 8.344 8.522 -0.178 1
1 406 . 9 1 1 A 42 42 PHE HA H 42 5.888 5.808 0.080 1
1 414 . 9 1 1 A 42 42 PHE C C 42 175.198 174.529 0.669 1
1 415 . 9 1 1 A 42 42 PHE CA C 42 54.335 55.383 -1.048 1
1 416 . 9 1 1 A 42 42 PHE CB C 42 43.360 42.323 1.037 1
1 422 . 9 1 1 A 42 42 PHE N N 42 117.935 118.974 -1.039 1
1 423 . 9 1 1 A 43 43 SER H H 43 8.843 8.683 0.160 1
1 424 . 9 1 1 A 43 43 SER HA H 43 4.918 5.234 -0.316 1
1 427 . 9 1 1 A 43 43 SER C C 43 175.040 174.199 0.841 1
1 428 . 9 1 1 A 43 43 SER CA C 43 58.215 56.985 1.230 1
1 429 . 9 1 1 A 43 43 SER CB C 43 66.789 66.233 0.556 1
1 430 . 9 1 1 A 43 43 SER N N 43 117.280 115.266 2.014 1
1 431 . 9 1 1 A 44 44 ASP H H 44 8.818 8.363 0.455 1
1 432 . 9 1 1 A 44 44 ASP HA H 44 4.909 4.326 0.583 1
1 435 . 9 1 1 A 44 44 ASP C C 44 175.955 175.444 0.511 1
1 436 . 9 1 1 A 44 44 ASP CA C 44 54.815 53.189 1.626 1
1 437 . 9 1 1 A 44 44 ASP CB C 44 41.729 41.462 0.267 1
1 438 . 9 1 1 A 44 44 ASP N N 44 120.846 119.568 1.278 1
1 439 . 9 1 1 A 45 45 ASP H H 45 8.726 8.426 0.300 1
1 440 . 9 1 1 A 45 45 ASP HA H 45 4.273 4.734 -0.461 1
1 443 . 9 1 1 A 45 45 ASP C C 45 177.889 177.736 0.153 1
1 444 . 9 1 1 A 45 45 ASP CA C 45 54.145 55.010 -0.865 1
1 445 . 9 1 1 A 45 45 ASP CB C 45 41.329 41.139 0.190 1
1 446 . 9 1 1 A 45 45 ASP N N 45 120.848 120.234 0.614 1
1 447 . 9 1 1 A 46 46 ILE H H 46 8.369 8.562 -0.193 1
1 448 . 9 1 1 A 46 46 ILE HA H 46 4.079 4.161 -0.082 1
1 458 . 9 1 1 A 46 46 ILE C C 46 177.339 176.667 0.672 1
1 459 . 9 1 1 A 46 46 ILE CA C 46 62.357 62.351 0.006 1
1 460 . 9 1 1 A 46 46 ILE CB C 46 38.708 38.794 -0.086 1
1 464 . 9 1 1 A 46 46 ILE N N 46 123.832 120.223 3.609 1
1 465 . 9 1 1 A 47 47 GLU H H 47 8.577 8.088 0.489 1
1 466 . 9 1 1 A 47 47 GLU HA H 47 4.258 4.646 -0.388 1
1 471 . 9 1 1 A 47 47 GLU C C 47 177.164 177.212 -0.048 1
1 472 . 9 1 1 A 47 47 GLU CA C 47 57.249 56.694 0.555 1
1 473 . 9 1 1 A 47 47 GLU CB C 47 29.900 32.088 -2.188 1
1 475 . 9 1 1 A 47 47 GLU N N 47 122.294 118.535 3.759 1
1 476 . 9 1 1 A 48 48 GLN H H 48 7.894 7.924 -0.030 1
1 477 . 9 1 1 A 48 48 GLN HA H 48 4.365 4.502 -0.137 1
1 484 . 9 1 1 A 48 48 GLN C C 48 176.278 175.127 1.151 1
1 485 . 9 1 1 A 48 48 GLN CA C 48 55.830 55.389 0.441 1
1 486 . 9 1 1 A 48 48 GLN CB C 48 29.383 29.005 0.378 1
1 488 . 9 1 1 A 48 48 GLN N N 48 118.968 117.734 1.234 1
1 490 . 9 1 1 A 49 49 THR H H 49 8.048 7.409 0.639 1
1 491 . 9 1 1 A 49 49 THR HA H 49 4.331 4.223 0.108 1
1 496 . 9 1 1 A 49 49 THR C C 49 174.784 174.492 0.292 1
1 497 . 9 1 1 A 49 49 THR CA C 49 62.135 62.535 -0.400 1
1 498 . 9 1 1 A 49 49 THR CB C 49 69.736 69.282 0.454 1
1 500 . 9 1 1 A 49 49 THR N N 49 114.601 113.250 1.351 1
1 501 . 9 1 1 A 50 50 MET H H 50 8.409 8.949 -0.540 1
1 502 . 9 1 1 A 50 50 MET HA H 50 4.510 5.167 -0.657 1
1 510 . 9 1 1 A 50 50 MET C C 50 176.451 174.927 1.524 1
1 511 . 9 1 1 A 50 50 MET CA C 50 55.601 54.154 1.447 1
1 512 . 9 1 1 A 50 50 MET CB C 50 32.850 33.773 -0.923 1
1 515 . 9 1 1 A 50 50 MET N N 50 122.660 124.567 -1.907 1
1 516 . 9 1 1 A 51 51 GLU H H 51 8.418 8.379 0.039 1
1 517 . 9 1 1 A 51 51 GLU HA H 51 4.272 4.897 -0.625 1
1 522 . 9 1 1 A 51 51 GLU C C 51 176.777 176.383 0.394 1
1 523 . 9 1 1 A 51 51 GLU CA C 51 56.680 54.635 2.045 1
1 524 . 9 1 1 A 51 51 GLU CB C 51 30.262 32.839 -2.577 1
1 526 . 9 1 1 A 51 51 GLU N N 51 121.650 123.875 -2.225 1
1 527 . 9 1 1 A 52 52 GLU H H 52 8.325 8.929 -0.604 1
1 528 . 9 1 1 A 52 52 GLU HA H 52 4.174 3.947 0.227 1
1 533 . 9 1 1 A 52 52 GLU C C 52 176.178 177.272 -1.094 1
1 534 . 9 1 1 A 52 52 GLU N N 52 120.869 125.783 -4.914 1
1 535 . 9 1 1 A 53 53 ASP H H 53 8.320 7.956 0.364 1
1 536 . 9 1 1 A 53 53 ASP HA H 53 4.527 4.780 -0.253 1
1 539 . 9 1 1 A 53 53 ASP C C 53 175.650 175.365 0.285 1
1 540 . 9 1 1 A 53 53 ASP CA C 53 54.322 53.731 0.591 1
1 541 . 9 1 1 A 53 53 ASP CB C 53 41.040 40.763 0.277 1
1 542 . 9 1 1 A 53 53 ASP N N 53 119.656 116.447 3.209 1
1 543 . 9 1 1 A 54 54 ASN H H 54 8.134 8.095 0.039 1
1 544 . 9 1 1 A 54 54 ASN HA H 54 4.970 4.442 0.528 1
1 549 . 9 1 1 A 54 54 ASN CA C 54 51.120 53.938 -2.818 1
1 550 . 9 1 1 A 54 54 ASN CB C 54 39.125 36.846 2.279 1
1 551 . 9 1 1 A 54 54 ASN N N 54 118.436 116.553 1.883 1
1 553 . 9 1 1 A 55 55 PRO HA H 55 4.394 4.394 0.000 1
1 560 . 9 1 1 A 55 55 PRO C C 55 177.514 176.515 0.999 1
1 561 . 9 1 1 A 55 55 PRO CA C 55 63.910 65.337 -1.427 1
1 562 . 9 1 1 A 55 55 PRO CB C 55 32.077 31.680 0.397 1
1 565 . 9 1 1 A 56 56 LEU H H 56 8.181 7.675 0.506 1
1 566 . 9 1 1 A 56 56 LEU HA H 56 4.268 4.814 -0.546 1
1 576 . 9 1 1 A 56 56 LEU C C 56 178.176 175.076 3.100 1
1 577 . 9 1 1 A 56 56 LEU CA C 56 55.542 53.845 1.697 1
1 578 . 9 1 1 A 56 56 LEU CB C 56 41.783 46.014 -4.231 1
1 582 . 9 1 1 A 56 56 LEU N N 56 120.122 117.507 2.615 1
1 583 . 9 1 1 A 57 57 GLY H H 57 8.071 8.695 -0.624 1
1 584 . 9 1 1 A 57 57 GLY HA2 H 57 3.946 4.180 -0.234 1
1 585 . 9 1 1 A 57 57 GLY HA3 H 57 3.946 4.184 -0.238 1
1 586 . 9 1 1 A 57 57 GLY C C 57 174.306 173.329 0.977 1
1 587 . 9 1 1 A 57 57 GLY CA C 57 45.460 46.056 -0.596 1
1 588 . 9 1 1 A 57 57 GLY N N 57 108.437 112.639 -4.202 1
1 589 . 9 1 1 A 58 58 SER H H 58 8.170 8.399 -0.229 1
1 590 . 9 1 1 A 58 58 SER HA H 58 4.460 4.452 0.008 1
1 593 . 9 1 1 A 58 58 SER C C 58 174.785 175.030 -0.245 1
1 594 . 9 1 1 A 58 58 SER CA C 58 58.319 58.105 0.214 1
1 595 . 9 1 1 A 58 58 SER CB C 58 63.792 64.783 -0.991 1
1 596 . 9 1 1 A 58 58 SER N N 58 115.478 114.699 0.779 1
1 597 . 9 1 1 A 59 59 LEU H H 59 8.278 8.515 -0.237 1
1 598 . 9 1 1 A 59 59 LEU HA H 59 4.384 4.192 0.192 1
1 608 . 9 1 1 A 59 59 LEU CA C 59 55.219 57.455 -2.236 1
1 609 . 9 1 1 A 59 59 LEU CB C 59 42.377 42.427 -0.050 1
1 613 . 9 1 1 A 59 59 LEU N N 59 124.033 123.919 0.114 1
1 614 . 9 1 1 A 60 60 CYS H H 60 8.331 8.102 0.229 1
1 615 . 9 1 1 A 60 60 CYS HA H 60 4.398 4.241 0.157 1
1 618 . 9 1 1 A 60 60 CYS C C 60 174.142 174.506 -0.364 1
1 619 . 9 1 1 A 60 60 CYS CA C 60 58.505 59.164 -0.659 1
1 620 . 9 1 1 A 60 60 CYS CB C 60 27.338 26.831 0.507 1
1 621 . 9 1 1 A 60 60 CYS N N 60 120.390 115.590 4.800 1
1 622 . 9 1 1 A 61 61 ARG H H 61 8.632 8.579 0.053 1
1 623 . 9 1 1 A 61 61 ARG HA H 61 4.337 4.311 0.026 1
1 630 . 9 1 1 A 61 61 ARG C C 61 176.096 175.116 0.980 1
1 631 . 9 1 1 A 61 61 ARG CA C 61 56.003 55.845 0.158 1
1 632 . 9 1 1 A 61 61 ARG CB C 61 30.757 30.522 0.235 1
1 635 . 9 1 1 A 61 61 ARG N N 61 125.869 125.644 0.225 1
1 636 . 9 1 1 A 62 62 GLY H H 62 7.263 7.014 0.249 1
1 637 . 9 1 1 A 62 62 GLY HA2 H 62 3.008 3.601 -0.593 1
1 638 . 9 1 1 A 62 62 GLY HA3 H 62 3.875 3.876 -0.001 1
1 639 . 9 1 1 A 62 62 GLY C C 62 170.609 171.608 -0.999 1
1 640 . 9 1 1 A 62 62 GLY CA C 62 44.808 44.731 0.077 1
1 641 . 9 1 1 A 62 62 GLY N N 62 107.908 105.977 1.931 1
1 642 . 9 1 1 A 63 63 ILE H H 63 7.895 8.250 -0.355 1
1 643 . 9 1 1 A 63 63 ILE HA H 63 4.843 5.031 -0.188 1
1 653 . 9 1 1 A 63 63 ILE C C 63 175.450 174.837 0.613 1
1 654 . 9 1 1 A 63 63 ILE CA C 63 60.322 60.296 0.026 1
1 655 . 9 1 1 A 63 63 ILE CB C 63 41.957 41.620 0.337 1
1 659 . 9 1 1 A 63 63 ILE N N 63 117.987 119.910 -1.923 1
1 660 . 9 1 1 A 64 64 LEU H H 64 9.429 9.401 0.028 1
1 661 . 9 1 1 A 64 64 LEU HA H 64 4.916 4.759 0.157 1
1 671 . 9 1 1 A 64 64 LEU C C 64 176.136 175.827 0.309 1
1 672 . 9 1 1 A 64 64 LEU CA C 64 53.059 54.053 -0.994 1
1 673 . 9 1 1 A 64 64 LEU CB C 64 43.788 41.363 2.425 1
1 677 . 9 1 1 A 64 64 LEU N N 64 127.063 128.833 -1.770 1
1 678 . 9 1 1 A 65 65 ASP H H 65 9.241 9.106 0.135 1
1 679 . 9 1 1 A 65 65 ASP HA H 65 4.818 4.700 0.118 1
1 682 . 9 1 1 A 65 65 ASP C C 65 177.925 176.144 1.781 1
1 683 . 9 1 1 A 65 65 ASP CA C 65 53.628 54.535 -0.907 1
1 684 . 9 1 1 A 65 65 ASP CB C 65 40.307 40.420 -0.113 1
1 685 . 9 1 1 A 65 65 ASP N N 65 122.728 126.973 -4.245 1
1 686 . 9 1 1 A 66 66 LEU H H 66 8.766 8.094 0.672 1
1 687 . 9 1 1 A 66 66 LEU HA H 66 4.212 4.064 0.148 1
1 697 . 9 1 1 A 66 66 LEU C C 66 177.167 178.935 -1.768 1
1 698 . 9 1 1 A 66 66 LEU CA C 66 57.854 57.897 -0.043 1
1 699 . 9 1 1 A 66 66 LEU CB C 66 41.006 41.248 -0.242 1
1 703 . 9 1 1 A 66 66 LEU N N 66 126.997 126.968 0.029 1
1 704 . 9 1 1 A 67 67 ASN H H 67 8.585 8.121 0.464 1
1 705 . 9 1 1 A 67 67 ASN HA H 67 4.721 4.653 0.068 1
1 710 . 9 1 1 A 67 67 ASN C C 67 176.583 175.966 0.617 1
1 711 . 9 1 1 A 67 67 ASN CA C 67 55.648 55.115 0.533 1
1 712 . 9 1 1 A 67 67 ASN CB C 67 38.464 38.153 0.311 1
1 713 . 9 1 1 A 67 67 ASN N N 67 113.883 115.235 -1.352 1
1 715 . 9 1 1 A 68 68 THR H H 68 8.007 8.121 -0.114 1
1 716 . 9 1 1 A 68 68 THR HA H 68 4.513 4.667 -0.154 1
1 721 . 9 1 1 A 68 68 THR C C 68 172.870 173.393 -0.523 1
1 722 . 9 1 1 A 68 68 THR CA C 68 61.441 60.609 0.832 1
1 723 . 9 1 1 A 68 68 THR CB C 68 69.432 69.064 0.368 1
1 725 . 9 1 1 A 68 68 THR N N 68 108.340 106.046 2.294 1
1 726 . 9 1 1 A 69 69 TYR H H 69 7.560 7.694 -0.134 1
1 727 . 9 1 1 A 69 69 TYR HA H 69 5.199 5.484 -0.285 1
1 734 . 9 1 1 A 69 69 TYR C C 69 174.283 174.651 -0.368 1
1 735 . 9 1 1 A 69 69 TYR CA C 69 57.848 56.331 1.517 1
1 736 . 9 1 1 A 69 69 TYR CB C 69 44.393 43.603 0.790 1
1 741 . 9 1 1 A 69 69 TYR N N 69 119.888 121.344 -1.456 1
1 742 . 9 1 1 A 70 70 ASN H H 70 9.116 8.962 0.154 1
1 743 . 9 1 1 A 70 70 ASN HA H 70 5.162 5.671 -0.509 1
1 748 . 9 1 1 A 70 70 ASN C C 70 174.340 174.455 -0.115 1
1 749 . 9 1 1 A 70 70 ASN CA C 70 52.364 52.155 0.209 1
1 750 . 9 1 1 A 70 70 ASN CB C 70 42.062 42.761 -0.699 1
1 751 . 9 1 1 A 70 70 ASN N N 70 116.071 117.428 -1.357 1
1 753 . 9 1 1 A 71 71 VAL H H 71 8.564 8.471 0.093 1
1 754 . 9 1 1 A 71 71 VAL HA H 71 5.766 5.027 0.739 1
1 762 . 9 1 1 A 71 71 VAL C C 71 173.261 174.740 -1.479 1
1 763 . 9 1 1 A 71 71 VAL CA C 71 59.076 61.095 -2.019 1
1 764 . 9 1 1 A 71 71 VAL CB C 71 34.982 35.117 -0.135 1
1 767 . 9 1 1 A 71 71 VAL N N 71 120.784 120.912 -0.128 1
1 768 . 9 1 1 A 72 72 VAL H H 72 9.308 8.602 0.706 1
1 769 . 9 1 1 A 72 72 VAL HA H 72 4.806 4.648 0.158 1
1 777 . 9 1 1 A 72 72 VAL C C 72 175.047 173.877 1.170 1
1 778 . 9 1 1 A 72 72 VAL CA C 72 60.330 59.746 0.584 1
1 779 . 9 1 1 A 72 72 VAL CB C 72 36.467 35.097 1.370 1
1 782 . 9 1 1 A 72 72 VAL N N 72 125.272 120.874 4.398 1
1 783 . 9 1 1 A 73 73 LYS H H 73 8.793 8.213 0.580 1
1 784 . 9 1 1 A 73 73 LYS HA H 73 4.652 2.988 1.664 1
1 793 . 9 1 1 A 73 73 LYS C C 73 176.241 175.098 1.143 1
1 794 . 9 1 1 A 73 73 LYS CA C 73 55.799 55.696 0.103 1
1 795 . 9 1 1 A 73 73 LYS CB C 73 33.452 32.261 1.191 1
1 799 . 9 1 1 A 73 73 LYS N N 73 124.197 126.435 -2.238 1
1 800 . 9 1 1 A 74 74 ALA H H 74 8.172 8.438 -0.266 1
1 801 . 9 1 1 A 74 74 ALA HA H 74 4.849 4.275 0.574 1
1 805 . 9 1 1 A 74 74 ALA CA C 74 49.540 50.268 -0.728 1
1 806 . 9 1 1 A 74 74 ALA CB C 74 17.685 19.095 -1.410 1
1 807 . 9 1 1 A 74 74 ALA N N 74 128.026 130.047 -2.021 1
1 808 . 9 1 1 A 75 75 PRO HA H 75 4.351 4.344 0.007 1
1 815 . 9 1 1 A 75 75 PRO CA C 75 65.256 65.997 -0.741 1
1 816 . 9 1 1 A 75 75 PRO CB C 75 32.158 31.252 0.906 1
1 819 . 9 1 1 A 76 76 GLN H H 76 8.660 8.025 0.635 1
1 820 . 9 1 1 A 76 76 GLN HA H 76 4.561 4.377 0.184 1
1 825 . 9 1 1 A 76 76 GLN C C 76 176.426 175.795 0.631 1
1 826 . 9 1 1 A 76 76 GLN CA C 76 55.168 54.295 0.873 1
1 827 . 9 1 1 A 76 76 GLN CB C 76 28.925 27.442 1.483 1
1 829 . 9 1 1 A 76 76 GLN N N 76 116.110 118.210 -2.100 1
1 830 . 9 1 1 A 77 77 GLY H H 77 7.527 8.398 -0.871 1
1 831 . 9 1 1 A 77 77 GLY HA2 H 77 3.382 3.748 -0.366 1
1 832 . 9 1 1 A 77 77 GLY HA3 H 77 4.505 3.782 0.723 1
1 833 . 9 1 1 A 77 77 GLY C C 77 172.487 174.510 -2.023 1
1 834 . 9 1 1 A 77 77 GLY CA C 77 44.852 45.830 -0.978 1
1 835 . 9 1 1 A 77 77 GLY N N 77 107.608 115.155 -7.547 1
1 836 . 9 1 1 A 78 78 LYS H H 78 8.123 8.639 -0.516 1
1 837 . 9 1 1 A 78 78 LYS HA H 78 4.191 4.482 -0.291 1
1 846 . 9 1 1 A 78 78 LYS C C 78 175.300 178.013 -2.713 1
1 847 . 9 1 1 A 78 78 LYS CA C 78 56.737 57.605 -0.868 1
1 848 . 9 1 1 A 78 78 LYS CB C 78 35.900 34.562 1.338 1
1 852 . 9 1 1 A 78 78 LYS N N 78 117.756 123.111 -5.355 1
1 853 . 9 1 1 A 79 79 ASN H H 79 9.105 8.653 0.452 1
1 854 . 9 1 1 A 79 79 ASN HA H 79 4.099 4.456 -0.357 1
1 859 . 9 1 1 A 79 79 ASN C C 79 175.098 176.914 -1.816 1
1 860 . 9 1 1 A 79 79 ASN CA C 79 54.563 55.471 -0.908 1
1 861 . 9 1 1 A 79 79 ASN CB C 79 37.353 38.444 -1.091 1
1 862 . 9 1 1 A 79 79 ASN N N 79 120.643 119.020 1.623 1
1 864 . 9 1 1 A 80 80 GLN H H 80 8.608 8.420 0.188 1
1 865 . 9 1 1 A 80 80 GLN HA H 80 3.648 4.571 -0.923 1
1 870 . 9 1 1 A 80 80 GLN C C 80 175.327 175.176 0.151 1
1 871 . 9 1 1 A 80 80 GLN CA C 80 57.975 55.557 2.418 1
1 872 . 9 1 1 A 80 80 GLN CB C 80 26.506 30.406 -3.900 1
1 874 . 9 1 1 A 80 80 GLN N N 80 108.385 114.926 -6.541 1
1 875 . 9 1 1 A 81 81 LYS H H 81 7.608 7.702 -0.094 1
1 876 . 9 1 1 A 81 81 LYS HA H 81 4.325 4.430 -0.105 1
1 885 . 9 1 1 A 81 81 LYS C C 81 176.242 176.196 0.046 1
1 886 . 9 1 1 A 81 81 LYS CA C 81 54.186 54.511 -0.325 1
1 887 . 9 1 1 A 81 81 LYS CB C 81 33.385 33.883 -0.498 1
1 891 . 9 1 1 A 81 81 LYS N N 81 119.675 119.992 -0.317 1
1 892 . 9 1 1 A 82 82 SER H H 82 7.692 8.216 -0.524 1
1 893 . 9 1 1 A 82 82 SER HA H 82 3.850 4.464 -0.614 1
1 896 . 9 1 1 A 82 82 SER C C 82 174.045 174.143 -0.098 1
1 897 . 9 1 1 A 82 82 SER CA C 82 60.984 57.788 3.196 1
1 898 . 9 1 1 A 82 82 SER CB C 82 62.962 64.058 -1.096 1
1 899 . 9 1 1 A 82 82 SER N N 82 117.008 113.627 3.381 1
1 900 . 9 1 1 A 83 83 PHE H H 83 8.545 7.521 1.024 1
1 901 . 9 1 1 A 83 83 PHE HA H 83 4.921 5.266 -0.345 1
1 908 . 9 1 1 A 83 83 PHE C C 83 172.686 174.542 -1.856 1
1 909 . 9 1 1 A 83 83 PHE CA C 83 55.383 56.638 -1.255 1
1 910 . 9 1 1 A 83 83 PHE CB C 83 37.774 40.744 -2.970 1
1 915 . 9 1 1 A 83 83 PHE N N 83 124.073 120.932 3.141 1
1 916 . 9 1 1 A 84 84 VAL H H 84 8.420 8.686 -0.266 1
1 917 . 9 1 1 A 84 84 VAL HA H 84 5.348 5.221 0.127 1
1 925 . 9 1 1 A 84 84 VAL C C 84 175.816 174.813 1.003 1
1 926 . 9 1 1 A 84 84 VAL CA C 84 60.177 60.415 -0.238 1
1 927 . 9 1 1 A 84 84 VAL CB C 84 37.646 35.981 1.665 1
1 930 . 9 1 1 A 84 84 VAL N N 84 123.085 123.120 -0.035 1
1 931 . 9 1 1 A 85 85 PHE H H 85 8.812 8.929 -0.117 1
1 932 . 9 1 1 A 85 85 PHE HA H 85 5.510 5.188 0.322 1
1 940 . 9 1 1 A 85 85 PHE C C 85 171.610 174.496 -2.886 1
1 941 . 9 1 1 A 85 85 PHE CA C 85 55.360 56.157 -0.797 1
1 942 . 9 1 1 A 85 85 PHE CB C 85 41.424 41.132 0.292 1
1 948 . 9 1 1 A 85 85 PHE N N 85 122.454 123.309 -0.855 1
1 949 . 9 1 1 A 86 86 ILE H H 86 9.406 9.139 0.267 1
1 950 . 9 1 1 A 86 86 ILE HA H 86 4.844 5.191 -0.347 1
1 960 . 9 1 1 A 86 86 ILE C C 86 175.559 174.982 0.577 1
1 961 . 9 1 1 A 86 86 ILE CA C 86 60.323 60.219 0.104 1
1 962 . 9 1 1 A 86 86 ILE CB C 86 42.374 40.216 2.158 1
1 966 . 9 1 1 A 86 86 ILE N N 86 120.483 123.970 -3.487 1
1 967 . 9 1 1 A 87 87 LEU H H 87 9.450 9.273 0.177 1
1 968 . 9 1 1 A 87 87 LEU HA H 87 5.238 5.678 -0.440 1
1 978 . 9 1 1 A 87 87 LEU C C 87 175.145 176.038 -0.893 1
1 979 . 9 1 1 A 87 87 LEU CA C 87 52.778 53.492 -0.714 1
1 980 . 9 1 1 A 87 87 LEU CB C 87 40.657 44.154 -3.497 1
1 984 . 9 1 1 A 87 87 LEU N N 87 126.149 127.737 -1.588 1
1 985 . 9 1 1 A 88 88 GLU H H 88 9.120 8.833 0.287 1
1 986 . 9 1 1 A 88 88 GLU HA H 88 4.986 4.928 0.058 1
1 991 . 9 1 1 A 88 88 GLU CA C 88 52.677 52.753 -0.076 1
1 992 . 9 1 1 A 88 88 GLU CB C 88 31.511 30.863 0.648 1
1 994 . 9 1 1 A 88 88 GLU N N 88 126.028 123.832 2.196 1
1 995 . 9 1 1 A 89 89 PRO HA H 89 4.239 3.812 0.427 1
1 1002 . 9 1 1 A 89 89 PRO C C 89 177.398 176.802 0.596 1
1 1003 . 9 1 1 A 89 89 PRO CA C 89 63.214 62.404 0.810 1
1 1004 . 9 1 1 A 89 89 PRO CB C 89 32.855 32.527 0.328 1
1 1007 . 9 1 1 A 90 90 LYS H H 90 8.166 8.544 -0.378 1
1 1008 . 9 1 1 A 90 90 LYS HA H 90 4.041 4.515 -0.474 1
1 1017 . 9 1 1 A 90 90 LYS C C 90 177.384 177.114 0.270 1
1 1018 . 9 1 1 A 90 90 LYS CA C 90 58.404 56.085 2.319 1
1 1019 . 9 1 1 A 90 90 LYS CB C 90 33.133 33.485 -0.352 1
1 1023 . 9 1 1 A 90 90 LYS N N 90 121.350 120.915 0.435 1
1 1024 . 9 1 1 A 91 91 GLN H H 91 8.252 7.958 0.294 1
1 1025 . 9 1 1 A 91 91 GLN HA H 91 4.423 4.069 0.354 1
1 1032 . 9 1 1 A 91 91 GLN C C 91 175.039 176.700 -1.661 1
1 1033 . 9 1 1 A 91 91 GLN CA C 91 54.303 58.328 -4.025 1
1 1034 . 9 1 1 A 91 91 GLN CB C 91 29.208 28.818 0.390 1
1 1036 . 9 1 1 A 91 91 GLN N N 91 118.759 119.402 -0.643 1
1 1038 . 9 1 1 A 92 92 GLN H H 92 8.460 7.664 0.796 1
1 1039 . 9 1 1 A 92 92 GLN HA H 92 4.057 4.436 -0.379 1
1 1044 . 9 1 1 A 92 92 GLN C C 92 177.080 175.753 1.327 1
1 1045 . 9 1 1 A 92 92 GLN CA C 92 57.446 56.021 1.425 1
1 1046 . 9 1 1 A 92 92 GLN CB C 92 28.472 29.255 -0.783 1
1 1048 . 9 1 1 A 92 92 GLN N N 92 124.928 113.829 11.099 1
1 1049 . 9 1 1 A 93 93 GLY H H 93 8.870 7.841 1.029 1
1 1050 . 9 1 1 A 93 93 GLY HA2 H 93 3.639 4.013 -0.374 1
1 1051 . 9 1 1 A 93 93 GLY HA3 H 93 4.338 4.021 0.317 1
1 1052 . 9 1 1 A 93 93 GLY C C 93 174.298 174.059 0.239 1
1 1053 . 9 1 1 A 93 93 GLY CA C 93 45.336 45.308 0.028 1
1 1054 . 9 1 1 A 93 93 GLY N N 93 113.393 107.841 5.552 1
1 1055 . 9 1 1 A 94 94 ASP H H 94 7.546 7.452 0.094 1
1 1056 . 9 1 1 A 94 94 ASP HA H 94 5.056 4.731 0.325 1
1 1059 . 9 1 1 A 94 94 ASP CA C 94 52.662 52.852 -0.190 1
1 1060 . 9 1 1 A 94 94 ASP CB C 94 40.179 39.946 0.233 1
1 1061 . 9 1 1 A 94 94 ASP N N 94 123.111 121.182 1.929 1
1 1062 . 9 1 1 A 95 95 PRO HA H 95 4.933 4.721 0.212 1
1 1069 . 9 1 1 A 95 95 PRO CA C 95 61.243 61.481 -0.238 1
1 1070 . 9 1 1 A 95 95 PRO CB C 95 31.234 31.856 -0.622 1
1 1073 . 9 1 1 A 96 96 PRO HA H 96 5.190 5.055 0.135 1
1 1080 . 9 1 1 A 96 96 PRO C C 96 176.664 175.552 1.112 1
1 1081 . 9 1 1 A 96 96 PRO CA C 96 62.399 62.472 -0.073 1
1 1082 . 9 1 1 A 96 96 PRO CB C 96 32.850 33.013 -0.163 1
1 1085 . 9 1 1 A 97 97 VAL H H 97 8.448 8.307 0.141 1
1 1086 . 9 1 1 A 97 97 VAL HA H 97 4.145 4.777 -0.632 1
1 1094 . 9 1 1 A 97 97 VAL C C 97 174.020 174.969 -0.949 1
1 1095 . 9 1 1 A 97 97 VAL CA C 97 61.710 60.720 0.990 1
1 1096 . 9 1 1 A 97 97 VAL CB C 97 33.977 35.655 -1.678 1
1 1099 . 9 1 1 A 97 97 VAL N N 97 121.904 119.682 2.222 1
1 1100 . 9 1 1 A 98 98 GLU H H 98 8.599 8.725 -0.126 1
1 1101 . 9 1 1 A 98 98 GLU HA H 98 4.778 5.238 -0.460 1
1 1106 . 9 1 1 A 98 98 GLU C C 98 173.807 175.686 -1.879 1
1 1107 . 9 1 1 A 98 98 GLU CA C 98 55.674 55.109 0.565 1
1 1108 . 9 1 1 A 98 98 GLU CB C 98 30.827 32.583 -1.756 1
1 1110 . 9 1 1 A 98 98 GLU N N 98 126.577 126.225 0.352 1
1 1111 . 9 1 1 A 99 99 PHE H H 99 8.701 9.017 -0.316 1
1 1112 . 9 1 1 A 99 99 PHE HA H 99 5.773 5.955 -0.182 1
1 1120 . 9 1 1 A 99 99 PHE C C 99 174.648 174.819 -0.171 1
1 1121 . 9 1 1 A 99 99 PHE CA C 99 55.799 56.973 -1.174 1
1 1122 . 9 1 1 A 99 99 PHE CB C 99 44.025 44.346 -0.321 1
1 1128 . 9 1 1 A 99 99 PHE N N 99 120.755 120.943 -0.188 1
1 1129 . 9 1 1 A 100 100 ALA H H 100 8.737 8.927 -0.190 1
1 1130 . 9 1 1 A 100 100 ALA HA H 100 5.669 5.155 0.514 1
1 1134 . 9 1 1 A 100 100 ALA C C 100 176.491 176.316 0.175 1
1 1135 . 9 1 1 A 100 100 ALA CA C 100 49.850 51.623 -1.773 1
1 1136 . 9 1 1 A 100 100 ALA CB C 100 23.399 23.152 0.247 1
1 1137 . 9 1 1 A 100 100 ALA N N 100 118.211 122.117 -3.906 1
1 1138 . 9 1 1 A 101 101 THR H H 101 8.272 8.593 -0.321 1
1 1139 . 9 1 1 A 101 101 THR HA H 101 5.232 4.805 0.427 1
1 1144 . 9 1 1 A 101 101 THR C C 101 174.787 173.486 1.301 1
1 1145 . 9 1 1 A 101 101 THR CA C 101 59.068 60.259 -1.191 1
1 1146 . 9 1 1 A 101 101 THR CB C 101 70.089 72.398 -2.309 1
1 1148 . 9 1 1 A 101 101 THR N N 101 108.062 110.159 -2.097 1
1 1149 . 9 1 1 A 102 102 ASP H H 102 8.625 8.601 0.024 1
1 1150 . 9 1 1 A 102 102 ASP HA H 102 5.009 4.836 0.173 1
1 1153 . 9 1 1 A 102 102 ASP C C 102 177.730 175.316 2.414 1
1 1154 . 9 1 1 A 102 102 ASP CA C 102 56.976 53.998 2.978 1
1 1155 . 9 1 1 A 102 102 ASP CB C 102 42.543 42.188 0.355 1
1 1156 . 9 1 1 A 102 102 ASP N N 102 118.482 117.980 0.502 1
1 1157 . 9 1 1 A 103 103 ARG H H 103 8.208 7.434 0.774 1
1 1158 . 9 1 1 A 103 103 ARG HA H 103 4.772 4.877 -0.105 1
1 1165 . 9 1 1 A 103 103 ARG C C 103 178.000 176.037 1.963 1
1 1166 . 9 1 1 A 103 103 ARG CA C 103 54.079 53.936 0.143 1
1 1167 . 9 1 1 A 103 103 ARG CB C 103 33.914 34.488 -0.574 1
1 1170 . 9 1 1 A 103 103 ARG N N 103 116.043 117.498 -1.455 1
1 1171 . 9 1 1 A 104 104 VAL H H 104 8.516 8.541 -0.025 1
1 1172 . 9 1 1 A 104 104 VAL HA H 104 2.857 3.659 -0.802 1
1 1180 . 9 1 1 A 104 104 VAL C C 104 176.158 177.727 -1.569 1
1 1181 . 9 1 1 A 104 104 VAL CA C 104 64.625 64.531 0.094 1
1 1182 . 9 1 1 A 104 104 VAL CB C 104 30.883 31.456 -0.573 1
1 1185 . 9 1 1 A 104 104 VAL N N 104 128.496 123.052 5.444 1
1 1186 . 9 1 1 A 105 105 GLU H H 105 9.414 8.168 1.246 1
1 1187 . 9 1 1 A 105 105 GLU HA H 105 3.989 4.070 -0.081 1
1 1192 . 9 1 1 A 105 105 GLU C C 105 179.982 179.630 0.352 1
1 1193 . 9 1 1 A 105 105 GLU CA C 105 60.599 59.621 0.978 1
1 1194 . 9 1 1 A 105 105 GLU CB C 105 27.973 29.429 -1.456 1
1 1196 . 9 1 1 A 105 105 GLU N N 105 121.934 122.467 -0.533 1
1 1197 . 9 1 1 A 106 106 GLU H H 106 6.769 8.250 -1.481 1
1 1198 . 9 1 1 A 106 106 GLU HA H 106 4.370 4.065 0.305 1
1 1203 . 9 1 1 A 106 106 GLU C C 106 178.312 179.247 -0.935 1
1 1204 . 9 1 1 A 106 106 GLU CA C 106 58.503 59.178 -0.675 1
1 1205 . 9 1 1 A 106 106 GLU CB C 106 30.657 29.319 1.338 1
1 1207 . 9 1 1 A 106 106 GLU N N 106 116.721 120.530 -3.809 1
1 1208 . 9 1 1 A 107 107 LEU H H 107 7.161 7.572 -0.411 1
1 1209 . 9 1 1 A 107 107 LEU HA H 107 4.040 4.134 -0.094 1
1 1219 . 9 1 1 A 107 107 LEU C C 107 177.985 178.477 -0.492 1
1 1220 . 9 1 1 A 107 107 LEU CA C 107 58.930 58.303 0.627 1
1 1221 . 9 1 1 A 107 107 LEU CB C 107 40.058 42.095 -2.037 1
1 1225 . 9 1 1 A 107 107 LEU N N 107 122.171 122.305 -0.134 1
1 1226 . 9 1 1 A 108 108 PHE H H 108 7.986 8.215 -0.229 1
1 1227 . 9 1 1 A 108 108 PHE HA H 108 4.199 3.995 0.204 1
1 1234 . 9 1 1 A 108 108 PHE C C 108 178.069 177.586 0.483 1
1 1235 . 9 1 1 A 108 108 PHE CA C 108 61.167 61.603 -0.436 1
1 1236 . 9 1 1 A 108 108 PHE CB C 108 38.208 39.206 -0.998 1
1 1241 . 9 1 1 A 108 108 PHE N N 108 116.696 119.188 -2.492 1
1 1242 . 9 1 1 A 109 109 GLU H H 109 7.719 8.365 -0.646 1
1 1243 . 9 1 1 A 109 109 GLU HA H 109 3.951 3.960 -0.009 1
1 1248 . 9 1 1 A 109 109 GLU C C 109 179.858 179.093 0.765 1
1 1249 . 9 1 1 A 109 109 GLU CA C 109 59.664 59.456 0.208 1
1 1250 . 9 1 1 A 109 109 GLU CB C 109 29.923 29.207 0.716 1
1 1252 . 9 1 1 A 109 109 GLU N N 109 119.214 118.743 0.471 1
1 1253 . 9 1 1 A 110 110 TRP H H 110 8.445 7.745 0.700 1
1 1254 . 9 1 1 A 110 110 TRP HA H 110 3.634 4.220 -0.586 1
1 1263 . 9 1 1 A 110 110 TRP C C 110 177.691 178.883 -1.192 1
1 1264 . 9 1 1 A 110 110 TRP CA C 110 62.078 60.247 1.831 1
1 1265 . 9 1 1 A 110 110 TRP CB C 110 29.275 28.834 0.441 1
1 1271 . 9 1 1 A 110 110 TRP N N 110 120.045 120.575 -0.530 1
1 1273 . 9 1 1 A 111 111 PHE H H 111 8.668 7.856 0.812 1
1 1274 . 9 1 1 A 111 111 PHE HA H 111 3.436 4.027 -0.591 1
1 1282 . 9 1 1 A 111 111 PHE C C 111 176.547 177.662 -1.115 1
1 1283 . 9 1 1 A 111 111 PHE CA C 111 62.182 61.200 0.982 1
1 1284 . 9 1 1 A 111 111 PHE CB C 111 39.904 37.175 2.729 1
1 1290 . 9 1 1 A 111 111 PHE N N 111 117.907 117.515 0.392 1
1 1291 . 9 1 1 A 112 112 GLN H H 112 8.254 8.372 -0.118 1
1 1292 . 9 1 1 A 112 112 GLN HA H 112 3.685 3.785 -0.100 1
1 1299 . 9 1 1 A 112 112 GLN C C 112 178.503 177.963 0.540 1
1 1300 . 9 1 1 A 112 112 GLN CA C 112 58.624 58.588 0.036 1
1 1301 . 9 1 1 A 112 112 GLN CB C 112 27.980 28.459 -0.479 1
1 1303 . 9 1 1 A 112 112 GLN N N 112 116.394 121.129 -4.735 1
1 1305 . 9 1 1 A 113 113 SER H H 113 7.741 7.243 0.498 1
1 1306 . 9 1 1 A 113 113 SER HA H 113 4.036 4.539 -0.503 1
1 1309 . 9 1 1 A 113 113 SER C C 113 176.428 177.438 -1.010 1
1 1310 . 9 1 1 A 113 113 SER CA C 113 62.062 61.279 0.783 1
1 1311 . 9 1 1 A 113 113 SER CB C 113 62.655 62.707 -0.052 1
1 1312 . 9 1 1 A 113 113 SER N N 113 114.734 114.385 0.349 1
1 1313 . 9 1 1 A 114 114 ILE H H 114 7.915 7.772 0.143 1
1 1314 . 9 1 1 A 114 114 ILE HA H 114 3.559 3.621 -0.062 1
1 1324 . 9 1 1 A 114 114 ILE C C 114 178.594 178.323 0.271 1
1 1325 . 9 1 1 A 114 114 ILE CA C 114 65.364 65.088 0.276 1
1 1326 . 9 1 1 A 114 114 ILE CB C 114 38.395 37.500 0.895 1
1 1330 . 9 1 1 A 114 114 ILE N N 114 119.893 121.415 -1.522 1
1 1331 . 9 1 1 A 115 115 ARG H H 115 8.581 8.006 0.575 1
1 1332 . 9 1 1 A 115 115 ARG HA H 115 3.881 4.143 -0.262 1
1 1339 . 9 1 1 A 115 115 ARG C C 115 177.921 179.189 -1.268 1
1 1340 . 9 1 1 A 115 115 ARG CA C 115 58.689 59.266 -0.577 1
1 1341 . 9 1 1 A 115 115 ARG CB C 115 29.134 29.616 -0.482 1
1 1344 . 9 1 1 A 115 115 ARG N N 115 123.090 121.231 1.859 1
1 1345 . 9 1 1 A 116 116 GLU H H 116 7.653 8.106 -0.453 1
1 1346 . 9 1 1 A 116 116 GLU HA H 116 3.959 4.167 -0.208 1
1 1351 . 9 1 1 A 116 116 GLU C C 116 178.178 177.520 0.658 1
1 1352 . 9 1 1 A 116 116 GLU CA C 116 58.767 58.783 -0.016 1
1 1353 . 9 1 1 A 116 116 GLU CB C 116 29.501 29.547 -0.046 1
1 1355 . 9 1 1 A 116 116 GLU N N 116 116.356 118.990 -2.634 1
1 1356 . 9 1 1 A 117 117 ILE H H 117 7.334 7.657 -0.323 1
1 1357 . 9 1 1 A 117 117 ILE HA H 117 3.909 4.256 -0.347 1
1 1367 . 9 1 1 A 117 117 ILE C C 117 177.733 177.188 0.545 1
1 1368 . 9 1 1 A 117 117 ILE CA C 117 63.443 62.175 1.268 1
1 1369 . 9 1 1 A 117 117 ILE CB C 117 39.059 39.427 -0.368 1
1 1373 . 9 1 1 A 117 117 ILE N N 117 117.514 117.485 0.029 1
1 1374 . 9 1 1 A 118 118 THR H H 118 8.075 7.755 0.320 1
1 1375 . 9 1 1 A 118 118 THR HA H 118 4.367 4.720 -0.353 1
1 1380 . 9 1 1 A 118 118 THR C C 118 176.050 174.601 1.449 1
1 1381 . 9 1 1 A 118 118 THR CA C 118 63.494 61.167 2.327 1
1 1382 . 9 1 1 A 118 118 THR CB C 118 70.326 69.121 1.205 1
1 1384 . 9 1 1 A 118 118 THR N N 118 109.879 108.754 1.125 1
1 1385 . 9 1 1 A 119 119 TRP H H 119 8.283 7.945 0.338 1
1 1386 . 9 1 1 A 119 119 TRP HA H 119 4.792 4.944 -0.152 1
1 1395 . 9 1 1 A 119 119 TRP C C 119 175.855 176.271 -0.416 1
1 1396 . 9 1 1 A 119 119 TRP CA C 119 57.464 57.526 -0.062 1
1 1397 . 9 1 1 A 119 119 TRP CB C 119 29.488 31.637 -2.149 1
1 1403 . 9 1 1 A 119 119 TRP N N 119 124.034 123.105 0.929 1
1 1405 . 9 1 1 A 120 120 LYS H H 120 7.723 8.081 -0.358 1
1 1406 . 9 1 1 A 120 120 LYS HA H 120 4.198 3.976 0.222 1
1 1415 . 9 1 1 A 120 120 LYS C C 120 176.162 175.405 0.757 1
1 1416 . 9 1 1 A 120 120 LYS CA C 120 56.049 56.893 -0.844 1
1 1417 . 9 1 1 A 120 120 LYS CB C 120 32.924 31.032 1.892 1
1 1421 . 9 1 1 A 120 120 LYS N N 120 123.166 119.275 3.891 1
1 1422 . 9 1 1 A 121 121 ILE H H 121 7.874 8.806 -0.932 1
1 1423 . 9 1 1 A 121 121 ILE HA H 121 4.035 4.617 -0.582 1
1 1433 . 9 1 1 A 121 121 ILE C C 121 175.950 173.661 2.289 1
1 1434 . 9 1 1 A 121 121 ILE CA C 121 61.120 60.449 0.671 1
1 1435 . 9 1 1 A 121 121 ILE CB C 121 38.708 37.835 0.873 1
1 1439 . 9 1 1 A 121 121 ILE N N 121 121.301 127.207 -5.906 1
1 1440 . 9 1 1 A 122 122 ASP H H 122 8.317 8.992 -0.675 1
1 1441 . 9 1 1 A 122 122 ASP HA H 122 4.677 5.369 -0.692 1
1 1444 . 9 1 1 A 122 122 ASP C C 122 176.278 175.261 1.017 1
1 1445 . 9 1 1 A 122 122 ASP CA C 122 54.157 52.973 1.184 1
1 1446 . 9 1 1 A 122 122 ASP CB C 122 41.316 43.516 -2.200 1
1 1447 . 9 1 1 A 122 122 ASP N N 122 124.058 129.420 -5.362 1
1 1448 . 9 1 1 A 123 123 THR H H 123 8.003 8.902 -0.899 1
1 1449 . 9 1 1 A 123 123 THR HA H 123 4.307 4.984 -0.677 1
1 1454 . 9 1 1 A 123 123 THR C C 123 173.831 172.525 1.306 1
1 1455 . 9 1 1 A 123 123 THR CA C 123 61.715 60.209 1.506 1
1 1456 . 9 1 1 A 123 123 THR CB C 123 69.736 71.702 -1.966 1
1 1458 . 9 1 1 A 123 123 THR N N 123 114.853 115.101 -0.248 1
1 2 . 10 1 1 A 9 9 LYS H H 9 8.338 8.811 -0.473 1
1 3 . 10 1 1 A 9 9 LYS C C 9 176.402 175.594 0.808 1
1 4 . 10 1 1 A 9 9 LYS N N 9 122.857 127.115 -4.258 1
1 5 . 10 1 1 A 10 10 ASP H H 10 8.335 8.907 -0.572 1
1 6 . 10 1 1 A 10 10 ASP HA H 10 4.562 4.901 -0.339 1
1 9 . 10 1 1 A 10 10 ASP C C 10 176.123 175.877 0.246 1
1 10 . 10 1 1 A 10 10 ASP CA C 10 54.344 54.454 -0.110 1
1 11 . 10 1 1 A 10 10 ASP CB C 10 41.227 44.051 -2.824 1
1 12 . 10 1 1 A 10 10 ASP N N 10 121.507 128.723 -7.216 1
1 13 . 10 1 1 A 11 11 GLU H H 11 8.231 7.858 0.373 1
1 14 . 10 1 1 A 11 11 GLU HA H 11 4.222 4.244 -0.022 1
1 19 . 10 1 1 A 11 11 GLU CA C 11 56.356 56.905 -0.549 1
1 20 . 10 1 1 A 11 11 GLU CB C 11 30.439 30.076 0.363 1
1 22 . 10 1 1 A 11 11 GLU N N 11 121.321 120.209 1.112 1
1 23 . 10 1 1 A 12 12 HIS H H 12 8.431 8.746 -0.315 1
1 24 . 10 1 1 A 12 12 HIS HA H 12 4.618 5.075 -0.457 1
1 28 . 10 1 1 A 12 12 HIS C C 12 174.980 175.333 -0.353 1
1 29 . 10 1 1 A 12 12 HIS CA C 12 55.952 55.068 0.884 1
1 30 . 10 1 1 A 12 12 HIS CB C 12 30.058 32.252 -2.194 1
1 32 . 10 1 1 A 12 12 HIS N N 12 120.447 127.094 -6.647 1
1 33 . 10 1 1 A 13 13 LYS H H 13 8.191 7.754 0.437 1
1 34 . 10 1 1 A 13 13 LYS HA H 13 4.355 3.997 0.358 1
1 43 . 10 1 1 A 13 13 LYS C C 13 175.327 175.966 -0.639 1
1 44 . 10 1 1 A 13 13 LYS CA C 13 55.620 56.816 -1.196 1
1 45 . 10 1 1 A 13 13 LYS CB C 13 33.729 32.928 0.801 1
1 49 . 10 1 1 A 13 13 LYS N N 13 124.365 124.283 0.082 1
1 50 . 10 1 1 A 14 14 GLN H H 14 8.229 8.562 -0.333 1
1 51 . 10 1 1 A 14 14 GLN HA H 14 4.037 4.623 -0.586 1
1 58 . 10 1 1 A 14 14 GLN C C 14 173.432 174.809 -1.377 1
1 59 . 10 1 1 A 14 14 GLN CA C 14 54.613 54.329 0.284 1
1 60 . 10 1 1 A 14 14 GLN CB C 14 29.096 29.469 -0.373 1
1 62 . 10 1 1 A 14 14 GLN N N 14 123.823 122.983 0.840 1
1 64 . 10 1 1 A 15 15 GLN H H 15 7.896 8.516 -0.620 1
1 65 . 10 1 1 A 15 15 GLN HA H 15 5.459 5.190 0.269 1
1 70 . 10 1 1 A 15 15 GLN C C 15 174.263 175.096 -0.833 1
1 71 . 10 1 1 A 15 15 GLN CA C 15 54.506 54.436 0.070 1
1 72 . 10 1 1 A 15 15 GLN CB C 15 31.418 32.995 -1.577 1
1 74 . 10 1 1 A 15 15 GLN N N 15 121.452 125.622 -4.170 1
1 75 . 10 1 1 A 16 16 GLY H H 16 8.795 8.330 0.465 1
1 76 . 10 1 1 A 16 16 GLY HA2 H 16 4.056 4.233 -0.177 1
1 77 . 10 1 1 A 16 16 GLY HA3 H 16 4.801 4.435 0.366 1
1 78 . 10 1 1 A 16 16 GLY C C 16 171.456 171.451 0.005 1
1 79 . 10 1 1 A 16 16 GLY CA C 16 44.773 46.166 -1.393 1
1 80 . 10 1 1 A 16 16 GLY N N 16 107.937 109.095 -1.158 1
1 81 . 10 1 1 A 17 17 GLU H H 17 8.718 8.743 -0.025 1
1 82 . 10 1 1 A 17 17 GLU HA H 17 5.220 4.973 0.247 1
1 87 . 10 1 1 A 17 17 GLU C C 17 176.562 174.768 1.794 1
1 88 . 10 1 1 A 17 17 GLU CA C 17 55.880 54.560 1.320 1
1 89 . 10 1 1 A 17 17 GLU CB C 17 30.995 33.101 -2.106 1
1 91 . 10 1 1 A 17 17 GLU N N 17 119.686 122.449 -2.763 1
1 92 . 10 1 1 A 18 18 LEU H H 18 8.806 7.997 0.809 1
1 93 . 10 1 1 A 18 18 LEU HA H 18 4.652 4.425 0.227 1
1 103 . 10 1 1 A 18 18 LEU C C 18 176.851 173.481 3.370 1
1 104 . 10 1 1 A 18 18 LEU CA C 18 53.786 53.022 0.764 1
1 105 . 10 1 1 A 18 18 LEU CB C 18 47.961 44.185 3.776 1
1 109 . 10 1 1 A 18 18 LEU N N 18 122.158 121.074 1.084 1
1 110 . 10 1 1 A 19 19 TYR H H 19 8.833 8.384 0.449 1
1 111 . 10 1 1 A 19 19 TYR HA H 19 5.837 5.284 0.553 1
1 118 . 10 1 1 A 19 19 TYR C C 19 176.038 175.407 0.631 1
1 119 . 10 1 1 A 19 19 TYR CA C 19 56.750 56.676 0.074 1
1 120 . 10 1 1 A 19 19 TYR CB C 19 40.531 42.513 -1.982 1
1 125 . 10 1 1 A 19 19 TYR N N 19 117.278 119.208 -1.930 1
1 126 . 10 1 1 A 20 20 MET H H 20 9.743 9.290 0.453 1
1 127 . 10 1 1 A 20 20 MET HA H 20 5.207 5.242 -0.035 1
1 135 . 10 1 1 A 20 20 MET C C 20 175.349 174.381 0.968 1
1 136 . 10 1 1 A 20 20 MET CA C 20 54.611 54.248 0.363 1
1 137 . 10 1 1 A 20 20 MET CB C 20 37.352 36.640 0.712 1
1 140 . 10 1 1 A 20 20 MET N N 20 120.128 120.655 -0.527 1
1 141 . 10 1 1 A 21 21 TRP H H 21 8.142 8.340 -0.198 1
1 142 . 10 1 1 A 21 21 TRP HA H 21 4.084 3.850 0.234 1
1 150 . 10 1 1 A 21 21 TRP C C 21 174.752 174.454 0.298 1
1 151 . 10 1 1 A 21 21 TRP CA C 21 56.246 55.862 0.384 1
1 152 . 10 1 1 A 21 21 TRP CB C 21 29.682 29.212 0.470 1
1 157 . 10 1 1 A 21 21 TRP N N 21 126.799 124.688 2.111 1
1 159 . 10 1 1 A 22 22 ASP H H 22 8.034 8.093 -0.059 1
1 160 . 10 1 1 A 22 22 ASP HA H 22 4.417 4.235 0.182 1
1 163 . 10 1 1 A 22 22 ASP C C 22 175.814 176.124 -0.310 1
1 164 . 10 1 1 A 22 22 ASP CA C 22 52.020 52.624 -0.604 1
1 165 . 10 1 1 A 22 22 ASP CB C 22 41.748 40.195 1.553 1
1 166 . 10 1 1 A 22 22 ASP N N 22 129.313 129.110 0.203 1
1 167 . 10 1 1 A 23 23 SER H H 23 8.331 8.434 -0.103 1
1 168 . 10 1 1 A 23 23 SER HA H 23 3.719 3.812 -0.093 1
1 171 . 10 1 1 A 23 23 SER C C 23 175.145 175.078 0.067 1
1 172 . 10 1 1 A 23 23 SER CA C 23 59.732 60.265 -0.533 1
1 173 . 10 1 1 A 23 23 SER CB C 23 63.304 62.818 0.486 1
1 174 . 10 1 1 A 23 23 SER N N 23 119.796 119.986 -0.190 1
1 175 . 10 1 1 A 24 24 ILE H H 24 8.044 7.464 0.580 1
1 176 . 10 1 1 A 24 24 ILE HA H 24 3.849 3.795 0.054 1
1 186 . 10 1 1 A 24 24 ILE C C 24 177.615 176.830 0.785 1
1 187 . 10 1 1 A 24 24 ILE CA C 24 63.257 63.823 -0.566 1
1 188 . 10 1 1 A 24 24 ILE CB C 24 36.400 38.003 -1.603 1
1 192 . 10 1 1 A 24 24 ILE N N 24 124.085 121.011 3.074 1
1 193 . 10 1 1 A 25 25 ASP H H 25 7.641 8.039 -0.398 1
1 194 . 10 1 1 A 25 25 ASP HA H 25 4.492 4.608 -0.116 1
1 197 . 10 1 1 A 25 25 ASP C C 25 175.486 174.900 0.586 1
1 198 . 10 1 1 A 25 25 ASP CA C 25 54.313 53.711 0.602 1
1 199 . 10 1 1 A 25 25 ASP CB C 25 40.789 40.955 -0.166 1
1 200 . 10 1 1 A 25 25 ASP N N 25 118.371 118.249 0.122 1
1 201 . 10 1 1 A 26 26 GLN H H 26 7.340 7.468 -0.128 1
1 202 . 10 1 1 A 26 26 GLN HA H 26 2.828 3.272 -0.444 1
1 209 . 10 1 1 A 26 26 GLN C C 26 173.882 174.522 -0.640 1
1 210 . 10 1 1 A 26 26 GLN CA C 26 55.956 56.417 -0.461 1
1 211 . 10 1 1 A 26 26 GLN CB C 26 25.070 26.715 -1.645 1
1 213 . 10 1 1 A 26 26 GLN N N 26 116.358 116.292 0.066 1
1 215 . 10 1 1 A 27 27 LYS H H 27 6.283 6.429 -0.146 1
1 216 . 10 1 1 A 27 27 LYS HA H 27 4.395 4.919 -0.524 1
1 225 . 10 1 1 A 27 27 LYS C C 27 173.510 173.908 -0.398 1
1 226 . 10 1 1 A 27 27 LYS CA C 27 54.164 55.009 -0.845 1
1 227 . 10 1 1 A 27 27 LYS CB C 27 35.825 34.425 1.400 1
1 231 . 10 1 1 A 27 27 LYS N N 27 114.611 113.705 0.906 1
1 232 . 10 1 1 A 28 28 TRP H H 28 8.751 8.641 0.110 1
1 233 . 10 1 1 A 28 28 TRP HA H 28 5.383 5.558 -0.175 1
1 242 . 10 1 1 A 28 28 TRP C C 28 177.411 176.510 0.901 1
1 243 . 10 1 1 A 28 28 TRP CA C 28 55.957 55.542 0.415 1
1 244 . 10 1 1 A 28 28 TRP CB C 28 30.752 31.044 -0.292 1
1 250 . 10 1 1 A 28 28 TRP N N 28 121.520 118.821 2.699 1
1 252 . 10 1 1 A 29 29 THR H H 29 9.413 8.867 0.546 1
1 253 . 10 1 1 A 29 29 THR HA H 29 4.852 5.211 -0.359 1
1 258 . 10 1 1 A 29 29 THR C C 29 173.520 173.383 0.137 1
1 259 . 10 1 1 A 29 29 THR CA C 29 60.308 60.034 0.274 1
1 260 . 10 1 1 A 29 29 THR CB C 29 69.736 70.658 -0.922 1
1 262 . 10 1 1 A 29 29 THR N N 29 117.059 115.649 1.410 1
1 263 . 10 1 1 A 30 30 ARG H H 30 9.117 8.813 0.304 1
1 264 . 10 1 1 A 30 30 ARG HA H 30 4.790 4.300 0.490 1
1 272 . 10 1 1 A 30 30 ARG C C 30 174.447 175.852 -1.405 1
1 273 . 10 1 1 A 30 30 ARG CA C 30 55.949 55.167 0.782 1
1 274 . 10 1 1 A 30 30 ARG CB C 30 33.388 30.991 2.397 1
1 277 . 10 1 1 A 30 30 ARG N N 30 126.027 123.141 2.886 1
1 278 . 10 1 1 A 31 31 HIS H H 31 9.011 8.000 1.011 1
1 279 . 10 1 1 A 31 31 HIS HA H 31 4.636 5.812 -1.176 1
1 282 . 10 1 1 A 31 31 HIS C C 31 173.947 172.376 1.571 1
1 283 . 10 1 1 A 31 31 HIS CA C 31 55.185 53.347 1.838 1
1 284 . 10 1 1 A 31 31 HIS CB C 31 33.332 33.040 0.292 1
1 285 . 10 1 1 A 31 31 HIS N N 31 121.017 122.035 -1.018 1
1 286 . 10 1 1 A 32 32 TYR H H 32 9.361 9.072 0.289 1
1 287 . 10 1 1 A 32 32 TYR HA H 32 4.745 4.603 0.142 1
1 294 . 10 1 1 A 32 32 TYR C C 32 176.298 174.901 1.397 1
1 295 . 10 1 1 A 32 32 TYR CA C 32 59.316 57.056 2.260 1
1 296 . 10 1 1 A 32 32 TYR CB C 32 39.341 38.741 0.600 1
1 301 . 10 1 1 A 32 32 TYR N N 32 124.440 122.952 1.488 1
1 302 . 10 1 1 A 33 33 CYS H H 33 8.750 8.663 0.087 1
1 303 . 10 1 1 A 33 33 CYS HA H 33 5.857 5.194 0.663 1
1 306 . 10 1 1 A 33 33 CYS C C 33 172.735 174.046 -1.311 1
1 307 . 10 1 1 A 33 33 CYS CA C 33 57.108 57.497 -0.389 1
1 308 . 10 1 1 A 33 33 CYS CB C 33 32.779 29.433 3.346 1
1 309 . 10 1 1 A 33 33 CYS N N 33 127.462 126.380 1.082 1
1 310 . 10 1 1 A 34 34 ALA H H 34 8.565 9.021 -0.456 1
1 311 . 10 1 1 A 34 34 ALA HA H 34 5.290 4.982 0.308 1
1 315 . 10 1 1 A 34 34 ALA C C 34 176.215 175.677 0.538 1
1 316 . 10 1 1 A 34 34 ALA CA C 34 51.773 51.961 -0.188 1
1 317 . 10 1 1 A 34 34 ALA CB C 34 23.139 21.221 1.918 1
1 318 . 10 1 1 A 34 34 ALA N N 34 121.115 122.643 -1.528 1
1 319 . 10 1 1 A 35 35 ILE H H 35 8.413 8.929 -0.516 1
1 320 . 10 1 1 A 35 35 ILE HA H 35 5.275 4.989 0.286 1
1 330 . 10 1 1 A 35 35 ILE C C 35 175.768 175.121 0.647 1
1 331 . 10 1 1 A 35 35 ILE CA C 35 60.105 60.590 -0.485 1
1 332 . 10 1 1 A 35 35 ILE CB C 35 39.737 38.084 1.653 1
1 336 . 10 1 1 A 35 35 ILE N N 35 120.176 123.802 -3.626 1
1 337 . 10 1 1 A 36 36 ALA H H 36 8.666 8.644 0.022 1
1 338 . 10 1 1 A 36 36 ALA HA H 36 4.581 4.746 -0.165 1
1 342 . 10 1 1 A 36 36 ALA CA C 36 52.028 50.867 1.161 1
1 343 . 10 1 1 A 36 36 ALA CB C 36 21.365 20.835 0.530 1
1 344 . 10 1 1 A 36 36 ALA N N 36 129.732 131.498 -1.766 1
1 345 . 10 1 1 A 37 37 ASP H H 37 9.379 8.916 0.463 1
1 346 . 10 1 1 A 37 37 ASP HA H 37 4.228 4.228 0.000 1
1 349 . 10 1 1 A 37 37 ASP C C 37 174.579 175.657 -1.078 1
1 350 . 10 1 1 A 37 37 ASP CA C 37 55.822 56.504 -0.682 1
1 351 . 10 1 1 A 37 37 ASP CB C 37 39.784 39.489 0.295 1
1 352 . 10 1 1 A 37 37 ASP N N 37 124.926 120.012 4.914 1
1 353 . 10 1 1 A 38 38 ALA H H 38 8.710 8.335 0.375 1
1 354 . 10 1 1 A 38 38 ALA HA H 38 3.911 4.520 -0.609 1
1 358 . 10 1 1 A 38 38 ALA C C 38 174.866 176.595 -1.729 1
1 359 . 10 1 1 A 38 38 ALA CA C 38 53.040 51.654 1.386 1
1 360 . 10 1 1 A 38 38 ALA CB C 38 17.654 20.975 -3.321 1
1 361 . 10 1 1 A 38 38 ALA N N 38 115.547 123.352 -7.805 1
1 362 . 10 1 1 A 39 39 LYS H H 39 8.054 7.803 0.251 1
1 363 . 10 1 1 A 39 39 LYS HA H 39 5.247 5.141 0.106 1
1 372 . 10 1 1 A 39 39 LYS C C 39 175.201 174.746 0.455 1
1 373 . 10 1 1 A 39 39 LYS CA C 39 54.583 54.649 -0.066 1
1 374 . 10 1 1 A 39 39 LYS CB C 39 34.824 35.570 -0.746 1
1 378 . 10 1 1 A 39 39 LYS N N 39 117.589 116.952 0.637 1
1 379 . 10 1 1 A 40 40 LEU H H 40 9.090 8.725 0.365 1
1 380 . 10 1 1 A 40 40 LEU HA H 40 5.353 5.108 0.245 1
1 390 . 10 1 1 A 40 40 LEU C C 40 175.382 175.063 0.319 1
1 391 . 10 1 1 A 40 40 LEU CA C 40 53.987 53.640 0.347 1
1 392 . 10 1 1 A 40 40 LEU CB C 40 45.718 45.521 0.197 1
1 396 . 10 1 1 A 40 40 LEU N N 40 126.300 124.503 1.797 1
1 397 . 10 1 1 A 41 41 SER H H 41 9.539 8.753 0.786 1
1 398 . 10 1 1 A 41 41 SER HA H 41 5.493 5.454 0.039 1
1 401 . 10 1 1 A 41 41 SER C C 41 173.435 173.639 -0.204 1
1 402 . 10 1 1 A 41 41 SER CA C 41 56.816 56.732 0.084 1
1 403 . 10 1 1 A 41 41 SER CB C 41 65.706 64.707 0.999 1
1 404 . 10 1 1 A 41 41 SER N N 41 123.399 122.075 1.324 1
1 405 . 10 1 1 A 42 42 PHE H H 42 8.344 7.624 0.720 1
1 406 . 10 1 1 A 42 42 PHE HA H 42 5.888 5.433 0.455 1
1 414 . 10 1 1 A 42 42 PHE C C 42 175.198 175.277 -0.079 1
1 415 . 10 1 1 A 42 42 PHE CA C 42 54.335 55.536 -1.201 1
1 416 . 10 1 1 A 42 42 PHE CB C 42 43.360 40.684 2.676 1
1 422 . 10 1 1 A 42 42 PHE N N 42 117.935 121.020 -3.085 1
1 423 . 10 1 1 A 43 43 SER H H 43 8.843 8.739 0.104 1
1 424 . 10 1 1 A 43 43 SER HA H 43 4.918 5.153 -0.235 1
1 427 . 10 1 1 A 43 43 SER C C 43 175.040 174.315 0.725 1
1 428 . 10 1 1 A 43 43 SER CA C 43 58.215 57.650 0.565 1
1 429 . 10 1 1 A 43 43 SER CB C 43 66.789 65.967 0.822 1
1 430 . 10 1 1 A 43 43 SER N N 43 117.280 117.760 -0.480 1
1 431 . 10 1 1 A 44 44 ASP H H 44 8.818 8.554 0.264 1
1 432 . 10 1 1 A 44 44 ASP HA H 44 4.909 4.539 0.370 1
1 435 . 10 1 1 A 44 44 ASP C C 44 175.955 175.447 0.508 1
1 436 . 10 1 1 A 44 44 ASP CA C 44 54.815 53.938 0.877 1
1 437 . 10 1 1 A 44 44 ASP CB C 44 41.729 40.986 0.743 1
1 438 . 10 1 1 A 44 44 ASP N N 44 120.846 120.155 0.691 1
1 439 . 10 1 1 A 45 45 ASP H H 45 8.726 8.639 0.087 1
1 440 . 10 1 1 A 45 45 ASP HA H 45 4.273 5.021 -0.748 1
1 443 . 10 1 1 A 45 45 ASP C C 45 177.889 177.903 -0.014 1
1 444 . 10 1 1 A 45 45 ASP CA C 45 54.145 55.035 -0.890 1
1 445 . 10 1 1 A 45 45 ASP CB C 45 41.329 41.319 0.010 1
1 446 . 10 1 1 A 45 45 ASP N N 45 120.848 120.762 0.086 1
1 447 . 10 1 1 A 46 46 ILE H H 46 8.369 8.235 0.134 1
1 448 . 10 1 1 A 46 46 ILE HA H 46 4.079 4.161 -0.082 1
1 458 . 10 1 1 A 46 46 ILE C C 46 177.339 176.510 0.829 1
1 459 . 10 1 1 A 46 46 ILE CA C 46 62.357 62.239 0.118 1
1 460 . 10 1 1 A 46 46 ILE CB C 46 38.708 37.516 1.192 1
1 464 . 10 1 1 A 46 46 ILE N N 46 123.832 120.294 3.538 1
1 465 . 10 1 1 A 47 47 GLU H H 47 8.577 8.040 0.537 1
1 466 . 10 1 1 A 47 47 GLU HA H 47 4.258 4.511 -0.253 1
1 471 . 10 1 1 A 47 47 GLU C C 47 177.164 176.998 0.166 1
1 472 . 10 1 1 A 47 47 GLU CA C 47 57.249 56.999 0.250 1
1 473 . 10 1 1 A 47 47 GLU CB C 47 29.900 32.109 -2.209 1
1 475 . 10 1 1 A 47 47 GLU N N 47 122.294 119.289 3.005 1
1 476 . 10 1 1 A 48 48 GLN H H 48 7.894 8.072 -0.178 1
1 477 . 10 1 1 A 48 48 GLN HA H 48 4.365 4.609 -0.244 1
1 484 . 10 1 1 A 48 48 GLN C C 48 176.278 176.437 -0.159 1
1 485 . 10 1 1 A 48 48 GLN CA C 48 55.830 55.588 0.242 1
1 486 . 10 1 1 A 48 48 GLN CB C 48 29.383 29.279 0.104 1
1 488 . 10 1 1 A 48 48 GLN N N 48 118.968 118.832 0.136 1
1 490 . 10 1 1 A 49 49 THR H H 49 8.048 7.755 0.293 1
1 491 . 10 1 1 A 49 49 THR HA H 49 4.331 3.981 0.350 1
1 496 . 10 1 1 A 49 49 THR C C 49 174.784 175.315 -0.531 1
1 497 . 10 1 1 A 49 49 THR CA C 49 62.135 65.285 -3.150 1
1 498 . 10 1 1 A 49 49 THR CB C 49 69.736 69.115 0.621 1
1 500 . 10 1 1 A 49 49 THR N N 49 114.601 113.391 1.210 1
1 501 . 10 1 1 A 50 50 MET H H 50 8.409 8.026 0.383 1
1 502 . 10 1 1 A 50 50 MET HA H 50 4.510 4.216 0.294 1
1 510 . 10 1 1 A 50 50 MET C C 50 176.451 174.794 1.657 1
1 511 . 10 1 1 A 50 50 MET CA C 50 55.601 56.948 -1.347 1
1 512 . 10 1 1 A 50 50 MET CB C 50 32.850 31.558 1.292 1
1 515 . 10 1 1 A 50 50 MET N N 50 122.660 116.758 5.902 1
1 516 . 10 1 1 A 51 51 GLU H H 51 8.418 7.611 0.807 1
1 517 . 10 1 1 A 51 51 GLU HA H 51 4.272 4.728 -0.456 1
1 522 . 10 1 1 A 51 51 GLU C C 51 176.777 175.365 1.412 1
1 523 . 10 1 1 A 51 51 GLU CA C 51 56.680 55.072 1.608 1
1 524 . 10 1 1 A 51 51 GLU CB C 51 30.262 32.284 -2.022 1
1 526 . 10 1 1 A 51 51 GLU N N 51 121.650 118.543 3.107 1
1 527 . 10 1 1 A 52 52 GLU H H 52 8.325 8.762 -0.437 1
1 528 . 10 1 1 A 52 52 GLU HA H 52 4.174 4.571 -0.397 1
1 533 . 10 1 1 A 52 52 GLU C C 52 176.178 177.804 -1.626 1
1 534 . 10 1 1 A 52 52 GLU N N 52 120.869 126.179 -5.310 1
1 535 . 10 1 1 A 53 53 ASP H H 53 8.320 8.117 0.203 1
1 536 . 10 1 1 A 53 53 ASP HA H 53 4.527 4.564 -0.037 1
1 539 . 10 1 1 A 53 53 ASP C C 53 175.650 176.690 -1.040 1
1 540 . 10 1 1 A 53 53 ASP CA C 53 54.322 56.069 -1.747 1
1 541 . 10 1 1 A 53 53 ASP CB C 53 41.040 41.613 -0.573 1
1 542 . 10 1 1 A 53 53 ASP N N 53 119.656 118.381 1.275 1
1 543 . 10 1 1 A 54 54 ASN H H 54 8.134 8.002 0.132 1
1 544 . 10 1 1 A 54 54 ASN HA H 54 4.970 5.183 -0.213 1
1 549 . 10 1 1 A 54 54 ASN CA C 54 51.120 50.702 0.418 1
1 550 . 10 1 1 A 54 54 ASN CB C 54 39.125 39.574 -0.449 1
1 551 . 10 1 1 A 54 54 ASN N N 54 118.436 116.295 2.141 1
1 553 . 10 1 1 A 55 55 PRO HA H 55 4.394 4.712 -0.318 1
1 560 . 10 1 1 A 55 55 PRO C C 55 177.514 177.952 -0.438 1
1 561 . 10 1 1 A 55 55 PRO CA C 55 63.910 62.474 1.436 1
1 562 . 10 1 1 A 55 55 PRO CB C 55 32.077 32.039 0.038 1
1 565 . 10 1 1 A 56 56 LEU H H 56 8.181 8.826 -0.645 1
1 566 . 10 1 1 A 56 56 LEU HA H 56 4.268 4.104 0.164 1
1 576 . 10 1 1 A 56 56 LEU C C 56 178.176 176.728 1.448 1
1 577 . 10 1 1 A 56 56 LEU CA C 56 55.542 57.647 -2.105 1
1 578 . 10 1 1 A 56 56 LEU CB C 56 41.783 42.853 -1.070 1
1 582 . 10 1 1 A 56 56 LEU N N 56 120.122 123.847 -3.725 1
1 583 . 10 1 1 A 57 57 GLY H H 57 8.071 7.968 0.103 1
1 584 . 10 1 1 A 57 57 GLY HA2 H 57 3.946 4.078 -0.132 1
1 585 . 10 1 1 A 57 57 GLY HA3 H 57 3.946 4.080 -0.134 1
1 586 . 10 1 1 A 57 57 GLY C C 57 174.306 173.656 0.650 1
1 587 . 10 1 1 A 57 57 GLY CA C 57 45.460 44.794 0.666 1
1 588 . 10 1 1 A 57 57 GLY N N 57 108.437 107.434 1.003 1
1 589 . 10 1 1 A 58 58 SER H H 58 8.170 8.729 -0.559 1
1 590 . 10 1 1 A 58 58 SER HA H 58 4.460 4.514 -0.054 1
1 593 . 10 1 1 A 58 58 SER C C 58 174.785 174.391 0.394 1
1 594 . 10 1 1 A 58 58 SER CA C 58 58.319 58.708 -0.389 1
1 595 . 10 1 1 A 58 58 SER CB C 58 63.792 62.611 1.181 1
1 596 . 10 1 1 A 58 58 SER N N 58 115.478 116.084 -0.606 1
1 597 . 10 1 1 A 59 59 LEU H H 59 8.278 8.710 -0.432 1
1 598 . 10 1 1 A 59 59 LEU HA H 59 4.384 4.495 -0.111 1
1 608 . 10 1 1 A 59 59 LEU CA C 59 55.219 56.860 -1.641 1
1 609 . 10 1 1 A 59 59 LEU CB C 59 42.377 43.779 -1.402 1
1 613 . 10 1 1 A 59 59 LEU N N 59 124.033 125.302 -1.269 1
1 614 . 10 1 1 A 60 60 CYS H H 60 8.331 7.911 0.420 1
1 615 . 10 1 1 A 60 60 CYS HA H 60 4.398 4.289 0.109 1
1 618 . 10 1 1 A 60 60 CYS C C 60 174.142 174.512 -0.370 1
1 619 . 10 1 1 A 60 60 CYS CA C 60 58.505 59.170 -0.665 1
1 620 . 10 1 1 A 60 60 CYS CB C 60 27.338 26.902 0.436 1
1 621 . 10 1 1 A 60 60 CYS N N 60 120.390 116.240 4.150 1
1 622 . 10 1 1 A 61 61 ARG H H 61 8.632 8.616 0.016 1
1 623 . 10 1 1 A 61 61 ARG HA H 61 4.337 4.501 -0.164 1
1 630 . 10 1 1 A 61 61 ARG C C 61 176.096 175.833 0.263 1
1 631 . 10 1 1 A 61 61 ARG CA C 61 56.003 56.368 -0.365 1
1 632 . 10 1 1 A 61 61 ARG CB C 61 30.757 31.056 -0.299 1
1 635 . 10 1 1 A 61 61 ARG N N 61 125.869 125.701 0.168 1
1 636 . 10 1 1 A 62 62 GLY H H 62 7.263 7.047 0.216 1
1 637 . 10 1 1 A 62 62 GLY HA2 H 62 3.008 3.637 -0.629 1
1 638 . 10 1 1 A 62 62 GLY HA3 H 62 3.875 3.867 0.008 1
1 639 . 10 1 1 A 62 62 GLY C C 62 170.609 170.913 -0.304 1
1 640 . 10 1 1 A 62 62 GLY CA C 62 44.808 45.174 -0.366 1
1 641 . 10 1 1 A 62 62 GLY N N 62 107.908 105.122 2.786 1
1 642 . 10 1 1 A 63 63 ILE H H 63 7.895 8.137 -0.242 1
1 643 . 10 1 1 A 63 63 ILE HA H 63 4.843 4.850 -0.007 1
1 653 . 10 1 1 A 63 63 ILE C C 63 175.450 174.136 1.314 1
1 654 . 10 1 1 A 63 63 ILE CA C 63 60.322 59.295 1.027 1
1 655 . 10 1 1 A 63 63 ILE CB C 63 41.957 42.206 -0.249 1
1 659 . 10 1 1 A 63 63 ILE N N 63 117.987 120.520 -2.533 1
1 660 . 10 1 1 A 64 64 LEU H H 64 9.429 9.215 0.214 1
1 661 . 10 1 1 A 64 64 LEU HA H 64 4.916 4.816 0.100 1
1 671 . 10 1 1 A 64 64 LEU C C 64 176.136 176.701 -0.565 1
1 672 . 10 1 1 A 64 64 LEU CA C 64 53.059 53.954 -0.895 1
1 673 . 10 1 1 A 64 64 LEU CB C 64 43.788 43.411 0.377 1
1 677 . 10 1 1 A 64 64 LEU N N 64 127.063 128.316 -1.253 1
1 678 . 10 1 1 A 65 65 ASP H H 65 9.241 9.097 0.144 1
1 679 . 10 1 1 A 65 65 ASP HA H 65 4.818 4.338 0.480 1
1 682 . 10 1 1 A 65 65 ASP C C 65 177.925 176.332 1.593 1
1 683 . 10 1 1 A 65 65 ASP CA C 65 53.628 57.272 -3.644 1
1 684 . 10 1 1 A 65 65 ASP CB C 65 40.307 40.390 -0.083 1
1 685 . 10 1 1 A 65 65 ASP N N 65 122.728 127.098 -4.370 1
1 686 . 10 1 1 A 66 66 LEU H H 66 8.766 8.113 0.653 1
1 687 . 10 1 1 A 66 66 LEU HA H 66 4.212 4.175 0.037 1
1 697 . 10 1 1 A 66 66 LEU C C 66 177.167 176.641 0.526 1
1 698 . 10 1 1 A 66 66 LEU CA C 66 57.854 56.371 1.483 1
1 699 . 10 1 1 A 66 66 LEU CB C 66 41.006 39.963 1.043 1
1 703 . 10 1 1 A 66 66 LEU N N 66 126.997 116.868 10.129 1
1 704 . 10 1 1 A 67 67 ASN H H 67 8.585 8.441 0.144 1
1 705 . 10 1 1 A 67 67 ASN HA H 67 4.721 4.920 -0.199 1
1 710 . 10 1 1 A 67 67 ASN C C 67 176.583 175.762 0.821 1
1 711 . 10 1 1 A 67 67 ASN CA C 67 55.648 53.779 1.869 1
1 712 . 10 1 1 A 67 67 ASN CB C 67 38.464 39.928 -1.464 1
1 713 . 10 1 1 A 67 67 ASN N N 67 113.883 114.848 -0.965 1
1 715 . 10 1 1 A 68 68 THR H H 68 8.007 8.072 -0.065 1
1 716 . 10 1 1 A 68 68 THR HA H 68 4.513 4.603 -0.090 1
1 721 . 10 1 1 A 68 68 THR C C 68 172.870 173.380 -0.510 1
1 722 . 10 1 1 A 68 68 THR CA C 68 61.441 60.153 1.288 1
1 723 . 10 1 1 A 68 68 THR CB C 68 69.432 68.730 0.702 1
1 725 . 10 1 1 A 68 68 THR N N 68 108.340 106.627 1.713 1
1 726 . 10 1 1 A 69 69 TYR H H 69 7.560 8.559 -0.999 1
1 727 . 10 1 1 A 69 69 TYR HA H 69 5.199 5.561 -0.362 1
1 734 . 10 1 1 A 69 69 TYR C C 69 174.283 174.519 -0.236 1
1 735 . 10 1 1 A 69 69 TYR CA C 69 57.848 56.404 1.444 1
1 736 . 10 1 1 A 69 69 TYR CB C 69 44.393 43.655 0.738 1
1 741 . 10 1 1 A 69 69 TYR N N 69 119.888 122.869 -2.981 1
1 742 . 10 1 1 A 70 70 ASN H H 70 9.116 9.249 -0.133 1
1 743 . 10 1 1 A 70 70 ASN HA H 70 5.162 5.460 -0.298 1
1 748 . 10 1 1 A 70 70 ASN C C 70 174.340 174.274 0.066 1
1 749 . 10 1 1 A 70 70 ASN CA C 70 52.364 52.438 -0.074 1
1 750 . 10 1 1 A 70 70 ASN CB C 70 42.062 42.756 -0.694 1
1 751 . 10 1 1 A 70 70 ASN N N 70 116.071 117.698 -1.627 1
1 753 . 10 1 1 A 71 71 VAL H H 71 8.564 9.028 -0.464 1
1 754 . 10 1 1 A 71 71 VAL HA H 71 5.766 4.727 1.039 1
1 762 . 10 1 1 A 71 71 VAL C C 71 173.261 175.604 -2.343 1
1 763 . 10 1 1 A 71 71 VAL CA C 71 59.076 61.998 -2.922 1
1 764 . 10 1 1 A 71 71 VAL CB C 71 34.982 32.438 2.544 1
1 767 . 10 1 1 A 71 71 VAL N N 71 120.784 124.875 -4.091 1
1 768 . 10 1 1 A 72 72 VAL H H 72 9.308 8.752 0.556 1
1 769 . 10 1 1 A 72 72 VAL HA H 72 4.806 4.680 0.126 1
1 777 . 10 1 1 A 72 72 VAL C C 72 175.047 174.031 1.016 1
1 778 . 10 1 1 A 72 72 VAL CA C 72 60.330 59.565 0.765 1
1 779 . 10 1 1 A 72 72 VAL CB C 72 36.467 34.878 1.589 1
1 782 . 10 1 1 A 72 72 VAL N N 72 125.272 121.538 3.734 1
1 783 . 10 1 1 A 73 73 LYS H H 73 8.793 8.109 0.684 1
1 784 . 10 1 1 A 73 73 LYS HA H 73 4.652 2.804 1.848 1
1 793 . 10 1 1 A 73 73 LYS C C 73 176.241 174.439 1.802 1
1 794 . 10 1 1 A 73 73 LYS CA C 73 55.799 55.660 0.139 1
1 795 . 10 1 1 A 73 73 LYS CB C 73 33.452 32.195 1.257 1
1 799 . 10 1 1 A 73 73 LYS N N 73 124.197 126.026 -1.829 1
1 800 . 10 1 1 A 74 74 ALA H H 74 8.172 8.385 -0.213 1
1 801 . 10 1 1 A 74 74 ALA HA H 74 4.849 4.522 0.327 1
1 805 . 10 1 1 A 74 74 ALA CA C 74 49.540 50.094 -0.554 1
1 806 . 10 1 1 A 74 74 ALA CB C 74 17.685 19.617 -1.932 1
1 807 . 10 1 1 A 74 74 ALA N N 74 128.026 129.482 -1.456 1
1 808 . 10 1 1 A 75 75 PRO HA H 75 4.351 4.498 -0.147 1
1 815 . 10 1 1 A 75 75 PRO CA C 75 65.256 63.045 2.211 1
1 816 . 10 1 1 A 75 75 PRO CB C 75 32.158 32.414 -0.256 1
1 819 . 10 1 1 A 76 76 GLN H H 76 8.660 9.171 -0.511 1
1 820 . 10 1 1 A 76 76 GLN HA H 76 4.561 3.935 0.626 1
1 825 . 10 1 1 A 76 76 GLN C C 76 176.426 175.075 1.351 1
1 826 . 10 1 1 A 76 76 GLN CA C 76 55.168 56.813 -1.645 1
1 827 . 10 1 1 A 76 76 GLN CB C 76 28.925 27.908 1.017 1
1 829 . 10 1 1 A 76 76 GLN N N 76 116.110 121.988 -5.878 1
1 830 . 10 1 1 A 77 77 GLY H H 77 7.527 8.443 -0.916 1
1 831 . 10 1 1 A 77 77 GLY HA2 H 77 3.382 3.825 -0.443 1
1 832 . 10 1 1 A 77 77 GLY HA3 H 77 4.505 3.863 0.642 1
1 833 . 10 1 1 A 77 77 GLY C C 77 172.487 174.515 -2.028 1
1 834 . 10 1 1 A 77 77 GLY CA C 77 44.852 46.241 -1.389 1
1 835 . 10 1 1 A 77 77 GLY N N 77 107.608 106.378 1.230 1
1 836 . 10 1 1 A 78 78 LYS H H 78 8.123 8.603 -0.480 1
1 837 . 10 1 1 A 78 78 LYS HA H 78 4.191 4.519 -0.328 1
1 846 . 10 1 1 A 78 78 LYS C C 78 175.300 175.257 0.043 1
1 847 . 10 1 1 A 78 78 LYS CA C 78 56.737 57.244 -0.507 1
1 848 . 10 1 1 A 78 78 LYS CB C 78 35.900 35.706 0.194 1
1 852 . 10 1 1 A 78 78 LYS N N 78 117.756 123.926 -6.170 1
1 853 . 10 1 1 A 79 79 ASN H H 79 9.105 7.956 1.149 1
1 854 . 10 1 1 A 79 79 ASN HA H 79 4.099 4.935 -0.836 1
1 859 . 10 1 1 A 79 79 ASN C C 79 175.098 175.259 -0.161 1
1 860 . 10 1 1 A 79 79 ASN CA C 79 54.563 51.772 2.791 1
1 861 . 10 1 1 A 79 79 ASN CB C 79 37.353 40.090 -2.737 1
1 862 . 10 1 1 A 79 79 ASN N N 79 120.643 115.600 5.043 1
1 864 . 10 1 1 A 80 80 GLN H H 80 8.608 8.673 -0.065 1
1 865 . 10 1 1 A 80 80 GLN HA H 80 3.648 3.860 -0.212 1
1 870 . 10 1 1 A 80 80 GLN C C 80 175.327 174.553 0.774 1
1 871 . 10 1 1 A 80 80 GLN CA C 80 57.975 57.249 0.726 1
1 872 . 10 1 1 A 80 80 GLN CB C 80 26.506 26.855 -0.349 1
1 874 . 10 1 1 A 80 80 GLN N N 80 108.385 121.093 -12.708 1
1 875 . 10 1 1 A 81 81 LYS H H 81 7.608 7.566 0.042 1
1 876 . 10 1 1 A 81 81 LYS HA H 81 4.325 4.656 -0.331 1
1 885 . 10 1 1 A 81 81 LYS C C 81 176.242 175.384 0.858 1
1 886 . 10 1 1 A 81 81 LYS CA C 81 54.186 54.173 0.013 1
1 887 . 10 1 1 A 81 81 LYS CB C 81 33.385 35.510 -2.125 1
1 891 . 10 1 1 A 81 81 LYS N N 81 119.675 119.283 0.392 1
1 892 . 10 1 1 A 82 82 SER H H 82 7.692 8.158 -0.466 1
1 893 . 10 1 1 A 82 82 SER HA H 82 3.850 4.439 -0.589 1
1 896 . 10 1 1 A 82 82 SER C C 82 174.045 174.424 -0.379 1
1 897 . 10 1 1 A 82 82 SER CA C 82 60.984 58.233 2.751 1
1 898 . 10 1 1 A 82 82 SER CB C 82 62.962 64.024 -1.062 1
1 899 . 10 1 1 A 82 82 SER N N 82 117.008 113.574 3.434 1
1 900 . 10 1 1 A 83 83 PHE H H 83 8.545 7.636 0.909 1
1 901 . 10 1 1 A 83 83 PHE HA H 83 4.921 5.198 -0.277 1
1 908 . 10 1 1 A 83 83 PHE C C 83 172.686 174.937 -2.251 1
1 909 . 10 1 1 A 83 83 PHE CA C 83 55.383 56.507 -1.124 1
1 910 . 10 1 1 A 83 83 PHE CB C 83 37.774 39.465 -1.691 1
1 915 . 10 1 1 A 83 83 PHE N N 83 124.073 120.319 3.754 1
1 916 . 10 1 1 A 84 84 VAL H H 84 8.420 8.843 -0.423 1
1 917 . 10 1 1 A 84 84 VAL HA H 84 5.348 5.183 0.165 1
1 925 . 10 1 1 A 84 84 VAL C C 84 175.816 174.910 0.906 1
1 926 . 10 1 1 A 84 84 VAL CA C 84 60.177 60.895 -0.718 1
1 927 . 10 1 1 A 84 84 VAL CB C 84 37.646 35.705 1.941 1
1 930 . 10 1 1 A 84 84 VAL N N 84 123.085 123.314 -0.229 1
1 931 . 10 1 1 A 85 85 PHE H H 85 8.812 9.027 -0.215 1
1 932 . 10 1 1 A 85 85 PHE HA H 85 5.510 5.158 0.352 1
1 940 . 10 1 1 A 85 85 PHE C C 85 171.610 174.508 -2.898 1
1 941 . 10 1 1 A 85 85 PHE CA C 85 55.360 55.982 -0.622 1
1 942 . 10 1 1 A 85 85 PHE CB C 85 41.424 41.173 0.251 1
1 948 . 10 1 1 A 85 85 PHE N N 85 122.454 124.888 -2.434 1
1 949 . 10 1 1 A 86 86 ILE H H 86 9.406 9.053 0.353 1
1 950 . 10 1 1 A 86 86 ILE HA H 86 4.844 4.909 -0.065 1
1 960 . 10 1 1 A 86 86 ILE C C 86 175.559 175.011 0.548 1
1 961 . 10 1 1 A 86 86 ILE CA C 86 60.323 60.209 0.114 1
1 962 . 10 1 1 A 86 86 ILE CB C 86 42.374 40.251 2.123 1
1 966 . 10 1 1 A 86 86 ILE N N 86 120.483 123.576 -3.093 1
1 967 . 10 1 1 A 87 87 LEU H H 87 9.450 9.234 0.216 1
1 968 . 10 1 1 A 87 87 LEU HA H 87 5.238 5.686 -0.448 1
1 978 . 10 1 1 A 87 87 LEU C C 87 175.145 175.684 -0.539 1
1 979 . 10 1 1 A 87 87 LEU CA C 87 52.778 53.104 -0.326 1
1 980 . 10 1 1 A 87 87 LEU CB C 87 40.657 43.566 -2.909 1
1 984 . 10 1 1 A 87 87 LEU N N 87 126.149 127.475 -1.326 1
1 985 . 10 1 1 A 88 88 GLU H H 88 9.120 9.242 -0.122 1
1 986 . 10 1 1 A 88 88 GLU HA H 88 4.986 4.966 0.020 1
1 991 . 10 1 1 A 88 88 GLU CA C 88 52.677 52.618 0.059 1
1 992 . 10 1 1 A 88 88 GLU CB C 88 31.511 30.812 0.699 1
1 994 . 10 1 1 A 88 88 GLU N N 88 126.028 123.974 2.054 1
1 995 . 10 1 1 A 89 89 PRO HA H 89 4.239 4.124 0.115 1
1 1002 . 10 1 1 A 89 89 PRO C C 89 177.398 177.240 0.158 1
1 1003 . 10 1 1 A 89 89 PRO CA C 89 63.214 63.042 0.172 1
1 1004 . 10 1 1 A 89 89 PRO CB C 89 32.855 31.689 1.166 1
1 1007 . 10 1 1 A 90 90 LYS H H 90 8.166 8.491 -0.325 1
1 1008 . 10 1 1 A 90 90 LYS HA H 90 4.041 4.262 -0.221 1
1 1017 . 10 1 1 A 90 90 LYS C C 90 177.384 177.375 0.009 1
1 1018 . 10 1 1 A 90 90 LYS CA C 90 58.404 57.546 0.858 1
1 1019 . 10 1 1 A 90 90 LYS CB C 90 33.133 32.046 1.087 1
1 1023 . 10 1 1 A 90 90 LYS N N 90 121.350 122.305 -0.955 1
1 1024 . 10 1 1 A 91 91 GLN H H 91 8.252 7.724 0.528 1
1 1025 . 10 1 1 A 91 91 GLN HA H 91 4.423 4.094 0.329 1
1 1032 . 10 1 1 A 91 91 GLN C C 91 175.039 176.693 -1.654 1
1 1033 . 10 1 1 A 91 91 GLN CA C 91 54.303 58.016 -3.713 1
1 1034 . 10 1 1 A 91 91 GLN CB C 91 29.208 28.970 0.238 1
1 1036 . 10 1 1 A 91 91 GLN N N 91 118.759 119.426 -0.667 1
1 1038 . 10 1 1 A 92 92 GLN H H 92 8.460 7.683 0.777 1
1 1039 . 10 1 1 A 92 92 GLN HA H 92 4.057 4.437 -0.380 1
1 1044 . 10 1 1 A 92 92 GLN C C 92 177.080 175.787 1.293 1
1 1045 . 10 1 1 A 92 92 GLN CA C 92 57.446 56.136 1.310 1
1 1046 . 10 1 1 A 92 92 GLN CB C 92 28.472 29.394 -0.922 1
1 1048 . 10 1 1 A 92 92 GLN N N 92 124.928 113.950 10.978 1
1 1049 . 10 1 1 A 93 93 GLY H H 93 8.870 7.922 0.948 1
1 1050 . 10 1 1 A 93 93 GLY HA2 H 93 3.639 4.014 -0.375 1
1 1051 . 10 1 1 A 93 93 GLY HA3 H 93 4.338 4.014 0.324 1
1 1052 . 10 1 1 A 93 93 GLY C C 93 174.298 173.967 0.331 1
1 1053 . 10 1 1 A 93 93 GLY CA C 93 45.336 45.255 0.081 1
1 1054 . 10 1 1 A 93 93 GLY N N 93 113.393 107.516 5.877 1
1 1055 . 10 1 1 A 94 94 ASP H H 94 7.546 7.470 0.076 1
1 1056 . 10 1 1 A 94 94 ASP HA H 94 5.056 4.711 0.345 1
1 1059 . 10 1 1 A 94 94 ASP CA C 94 52.662 52.909 -0.247 1
1 1060 . 10 1 1 A 94 94 ASP CB C 94 40.179 40.001 0.178 1
1 1061 . 10 1 1 A 94 94 ASP N N 94 123.111 121.083 2.028 1
1 1062 . 10 1 1 A 95 95 PRO HA H 95 4.933 4.693 0.240 1
1 1069 . 10 1 1 A 95 95 PRO CA C 95 61.243 61.496 -0.253 1
1 1070 . 10 1 1 A 95 95 PRO CB C 95 31.234 32.037 -0.803 1
1 1073 . 10 1 1 A 96 96 PRO HA H 96 5.190 4.959 0.231 1
1 1080 . 10 1 1 A 96 96 PRO C C 96 176.664 175.609 1.055 1
1 1081 . 10 1 1 A 96 96 PRO CA C 96 62.399 62.455 -0.056 1
1 1082 . 10 1 1 A 96 96 PRO CB C 96 32.850 32.967 -0.117 1
1 1085 . 10 1 1 A 97 97 VAL H H 97 8.448 8.346 0.102 1
1 1086 . 10 1 1 A 97 97 VAL HA H 97 4.145 4.735 -0.590 1
1 1094 . 10 1 1 A 97 97 VAL C C 97 174.020 175.304 -1.284 1
1 1095 . 10 1 1 A 97 97 VAL CA C 97 61.710 60.855 0.855 1
1 1096 . 10 1 1 A 97 97 VAL CB C 97 33.977 35.281 -1.304 1
1 1099 . 10 1 1 A 97 97 VAL N N 97 121.904 119.788 2.116 1
1 1100 . 10 1 1 A 98 98 GLU H H 98 8.599 8.780 -0.181 1
1 1101 . 10 1 1 A 98 98 GLU HA H 98 4.778 5.237 -0.459 1
1 1106 . 10 1 1 A 98 98 GLU C C 98 173.807 176.017 -2.210 1
1 1107 . 10 1 1 A 98 98 GLU CA C 98 55.674 55.403 0.271 1
1 1108 . 10 1 1 A 98 98 GLU CB C 98 30.827 32.411 -1.584 1
1 1110 . 10 1 1 A 98 98 GLU N N 98 126.577 127.095 -0.518 1
1 1111 . 10 1 1 A 99 99 PHE H H 99 8.701 9.024 -0.323 1
1 1112 . 10 1 1 A 99 99 PHE HA H 99 5.773 6.047 -0.274 1
1 1120 . 10 1 1 A 99 99 PHE C C 99 174.648 174.911 -0.263 1
1 1121 . 10 1 1 A 99 99 PHE CA C 99 55.799 57.115 -1.316 1
1 1122 . 10 1 1 A 99 99 PHE CB C 99 44.025 44.283 -0.258 1
1 1128 . 10 1 1 A 99 99 PHE N N 99 120.755 120.534 0.221 1
1 1129 . 10 1 1 A 100 100 ALA H H 100 8.737 8.631 0.106 1
1 1130 . 10 1 1 A 100 100 ALA HA H 100 5.669 5.267 0.402 1
1 1134 . 10 1 1 A 100 100 ALA C C 100 176.491 176.162 0.329 1
1 1135 . 10 1 1 A 100 100 ALA CA C 100 49.850 51.512 -1.662 1
1 1136 . 10 1 1 A 100 100 ALA CB C 100 23.399 23.238 0.161 1
1 1137 . 10 1 1 A 100 100 ALA N N 100 118.211 121.882 -3.671 1
1 1138 . 10 1 1 A 101 101 THR H H 101 8.272 8.465 -0.193 1
1 1139 . 10 1 1 A 101 101 THR HA H 101 5.232 5.016 0.216 1
1 1144 . 10 1 1 A 101 101 THR C C 101 174.787 173.350 1.437 1
1 1145 . 10 1 1 A 101 101 THR CA C 101 59.068 60.046 -0.978 1
1 1146 . 10 1 1 A 101 101 THR CB C 101 70.089 72.194 -2.105 1
1 1148 . 10 1 1 A 101 101 THR N N 101 108.062 109.501 -1.439 1
1 1149 . 10 1 1 A 102 102 ASP H H 102 8.625 8.634 -0.009 1
1 1150 . 10 1 1 A 102 102 ASP HA H 102 5.009 4.900 0.109 1
1 1153 . 10 1 1 A 102 102 ASP C C 102 177.730 175.082 2.648 1
1 1154 . 10 1 1 A 102 102 ASP CA C 102 56.976 53.837 3.139 1
1 1155 . 10 1 1 A 102 102 ASP CB C 102 42.543 42.431 0.112 1
1 1156 . 10 1 1 A 102 102 ASP N N 102 118.482 118.256 0.226 1
1 1157 . 10 1 1 A 103 103 ARG H H 103 8.208 7.496 0.712 1
1 1158 . 10 1 1 A 103 103 ARG HA H 103 4.772 4.917 -0.145 1
1 1165 . 10 1 1 A 103 103 ARG C C 103 178.000 176.202 1.798 1
1 1166 . 10 1 1 A 103 103 ARG CA C 103 54.079 54.073 0.006 1
1 1167 . 10 1 1 A 103 103 ARG CB C 103 33.914 34.524 -0.610 1
1 1170 . 10 1 1 A 103 103 ARG N N 103 116.043 117.616 -1.573 1
1 1171 . 10 1 1 A 104 104 VAL H H 104 8.516 9.019 -0.503 1
1 1172 . 10 1 1 A 104 104 VAL HA H 104 2.857 3.492 -0.635 1
1 1180 . 10 1 1 A 104 104 VAL C C 104 176.158 177.735 -1.577 1
1 1181 . 10 1 1 A 104 104 VAL CA C 104 64.625 66.442 -1.817 1
1 1182 . 10 1 1 A 104 104 VAL CB C 104 30.883 31.684 -0.801 1
1 1185 . 10 1 1 A 104 104 VAL N N 104 128.496 122.098 6.398 1
1 1186 . 10 1 1 A 105 105 GLU H H 105 9.414 8.254 1.160 1
1 1187 . 10 1 1 A 105 105 GLU HA H 105 3.989 4.024 -0.035 1
1 1192 . 10 1 1 A 105 105 GLU C C 105 179.982 178.713 1.269 1
1 1193 . 10 1 1 A 105 105 GLU CA C 105 60.599 59.164 1.435 1
1 1194 . 10 1 1 A 105 105 GLU CB C 105 27.973 29.279 -1.306 1
1 1196 . 10 1 1 A 105 105 GLU N N 105 121.934 119.369 2.565 1
1 1197 . 10 1 1 A 106 106 GLU H H 106 6.769 8.278 -1.509 1
1 1198 . 10 1 1 A 106 106 GLU HA H 106 4.370 4.053 0.317 1
1 1203 . 10 1 1 A 106 106 GLU C C 106 178.312 179.227 -0.915 1
1 1204 . 10 1 1 A 106 106 GLU CA C 106 58.503 59.264 -0.761 1
1 1205 . 10 1 1 A 106 106 GLU CB C 106 30.657 29.358 1.299 1
1 1207 . 10 1 1 A 106 106 GLU N N 106 116.721 119.955 -3.234 1
1 1208 . 10 1 1 A 107 107 LEU H H 107 7.161 7.558 -0.397 1
1 1209 . 10 1 1 A 107 107 LEU HA H 107 4.040 3.970 0.070 1
1 1219 . 10 1 1 A 107 107 LEU C C 107 177.985 178.365 -0.380 1
1 1220 . 10 1 1 A 107 107 LEU CA C 107 58.930 58.212 0.718 1
1 1221 . 10 1 1 A 107 107 LEU CB C 107 40.058 42.049 -1.991 1
1 1225 . 10 1 1 A 107 107 LEU N N 107 122.171 122.318 -0.147 1
1 1226 . 10 1 1 A 108 108 PHE H H 108 7.986 8.217 -0.231 1
1 1227 . 10 1 1 A 108 108 PHE HA H 108 4.199 3.978 0.221 1
1 1234 . 10 1 1 A 108 108 PHE C C 108 178.069 177.552 0.517 1
1 1235 . 10 1 1 A 108 108 PHE CA C 108 61.167 61.411 -0.244 1
1 1236 . 10 1 1 A 108 108 PHE CB C 108 38.208 39.107 -0.899 1
1 1241 . 10 1 1 A 108 108 PHE N N 108 116.696 119.109 -2.413 1
1 1242 . 10 1 1 A 109 109 GLU H H 109 7.719 8.352 -0.633 1
1 1243 . 10 1 1 A 109 109 GLU HA H 109 3.951 3.967 -0.016 1
1 1248 . 10 1 1 A 109 109 GLU C C 109 179.858 179.179 0.679 1
1 1249 . 10 1 1 A 109 109 GLU CA C 109 59.664 59.431 0.233 1
1 1250 . 10 1 1 A 109 109 GLU CB C 109 29.923 29.145 0.778 1
1 1252 . 10 1 1 A 109 109 GLU N N 109 119.214 118.659 0.555 1
1 1253 . 10 1 1 A 110 110 TRP H H 110 8.445 7.740 0.705 1
1 1254 . 10 1 1 A 110 110 TRP HA H 110 3.634 4.264 -0.630 1
1 1263 . 10 1 1 A 110 110 TRP C C 110 177.691 178.969 -1.278 1
1 1264 . 10 1 1 A 110 110 TRP CA C 110 62.078 60.272 1.806 1
1 1265 . 10 1 1 A 110 110 TRP CB C 110 29.275 28.812 0.463 1
1 1271 . 10 1 1 A 110 110 TRP N N 110 120.045 120.392 -0.347 1
1 1273 . 10 1 1 A 111 111 PHE H H 111 8.668 7.953 0.715 1
1 1274 . 10 1 1 A 111 111 PHE HA H 111 3.436 4.059 -0.623 1
1 1282 . 10 1 1 A 111 111 PHE C C 111 176.547 177.701 -1.154 1
1 1283 . 10 1 1 A 111 111 PHE CA C 111 62.182 61.298 0.884 1
1 1284 . 10 1 1 A 111 111 PHE CB C 111 39.904 37.346 2.558 1
1 1290 . 10 1 1 A 111 111 PHE N N 111 117.907 117.567 0.340 1
1 1291 . 10 1 1 A 112 112 GLN H H 112 8.254 8.390 -0.136 1
1 1292 . 10 1 1 A 112 112 GLN HA H 112 3.685 3.784 -0.099 1
1 1299 . 10 1 1 A 112 112 GLN C C 112 178.503 177.897 0.606 1
1 1300 . 10 1 1 A 112 112 GLN CA C 112 58.624 58.625 -0.001 1
1 1301 . 10 1 1 A 112 112 GLN CB C 112 27.980 28.384 -0.404 1
1 1303 . 10 1 1 A 112 112 GLN N N 112 116.394 121.110 -4.716 1
1 1305 . 10 1 1 A 113 113 SER H H 113 7.741 7.336 0.405 1
1 1306 . 10 1 1 A 113 113 SER HA H 113 4.036 4.531 -0.495 1
1 1309 . 10 1 1 A 113 113 SER C C 113 176.428 177.505 -1.077 1
1 1310 . 10 1 1 A 113 113 SER CA C 113 62.062 61.314 0.748 1
1 1311 . 10 1 1 A 113 113 SER CB C 113 62.655 62.698 -0.043 1
1 1312 . 10 1 1 A 113 113 SER N N 113 114.734 114.560 0.174 1
1 1313 . 10 1 1 A 114 114 ILE H H 114 7.915 7.886 0.029 1
1 1314 . 10 1 1 A 114 114 ILE HA H 114 3.559 3.674 -0.115 1
1 1324 . 10 1 1 A 114 114 ILE C C 114 178.594 178.311 0.283 1
1 1325 . 10 1 1 A 114 114 ILE CA C 114 65.364 65.199 0.165 1
1 1326 . 10 1 1 A 114 114 ILE CB C 114 38.395 37.545 0.850 1
1 1330 . 10 1 1 A 114 114 ILE N N 114 119.893 121.620 -1.727 1
1 1331 . 10 1 1 A 115 115 ARG H H 115 8.581 7.971 0.610 1
1 1332 . 10 1 1 A 115 115 ARG HA H 115 3.881 4.145 -0.264 1
1 1339 . 10 1 1 A 115 115 ARG C C 115 177.921 179.299 -1.378 1
1 1340 . 10 1 1 A 115 115 ARG CA C 115 58.689 59.562 -0.873 1
1 1341 . 10 1 1 A 115 115 ARG CB C 115 29.134 29.689 -0.555 1
1 1344 . 10 1 1 A 115 115 ARG N N 115 123.090 121.344 1.746 1
1 1345 . 10 1 1 A 116 116 GLU H H 116 7.653 8.208 -0.555 1
1 1346 . 10 1 1 A 116 116 GLU HA H 116 3.959 4.172 -0.213 1
1 1351 . 10 1 1 A 116 116 GLU C C 116 178.178 177.518 0.660 1
1 1352 . 10 1 1 A 116 116 GLU CA C 116 58.767 58.854 -0.087 1
1 1353 . 10 1 1 A 116 116 GLU CB C 116 29.501 29.581 -0.080 1
1 1355 . 10 1 1 A 116 116 GLU N N 116 116.356 119.283 -2.927 1
1 1356 . 10 1 1 A 117 117 ILE H H 117 7.334 7.663 -0.329 1
1 1357 . 10 1 1 A 117 117 ILE HA H 117 3.909 4.213 -0.304 1
1 1367 . 10 1 1 A 117 117 ILE C C 117 177.733 177.368 0.365 1
1 1368 . 10 1 1 A 117 117 ILE CA C 117 63.443 62.457 0.986 1
1 1369 . 10 1 1 A 117 117 ILE CB C 117 39.059 39.593 -0.534 1
1 1373 . 10 1 1 A 117 117 ILE N N 117 117.514 118.026 -0.512 1
1 1374 . 10 1 1 A 118 118 THR H H 118 8.075 7.353 0.722 1
1 1375 . 10 1 1 A 118 118 THR HA H 118 4.367 4.681 -0.314 1
1 1380 . 10 1 1 A 118 118 THR C C 118 176.050 174.556 1.494 1
1 1381 . 10 1 1 A 118 118 THR CA C 118 63.494 61.150 2.344 1
1 1382 . 10 1 1 A 118 118 THR CB C 118 70.326 69.078 1.248 1
1 1384 . 10 1 1 A 118 118 THR N N 118 109.879 108.329 1.550 1
1 1385 . 10 1 1 A 119 119 TRP H H 119 8.283 8.043 0.240 1
1 1386 . 10 1 1 A 119 119 TRP HA H 119 4.792 4.981 -0.189 1
1 1395 . 10 1 1 A 119 119 TRP C C 119 175.855 176.893 -1.038 1
1 1396 . 10 1 1 A 119 119 TRP CA C 119 57.464 56.821 0.643 1
1 1397 . 10 1 1 A 119 119 TRP CB C 119 29.488 31.802 -2.314 1
1 1403 . 10 1 1 A 119 119 TRP N N 119 124.034 123.451 0.583 1
1 1405 . 10 1 1 A 120 120 LYS H H 120 7.723 7.969 -0.246 1
1 1406 . 10 1 1 A 120 120 LYS HA H 120 4.198 4.152 0.046 1
1 1415 . 10 1 1 A 120 120 LYS C C 120 176.162 176.426 -0.264 1
1 1416 . 10 1 1 A 120 120 LYS CA C 120 56.049 57.347 -1.298 1
1 1417 . 10 1 1 A 120 120 LYS CB C 120 32.924 31.789 1.135 1
1 1421 . 10 1 1 A 120 120 LYS N N 120 123.166 115.701 7.465 1
1 1422 . 10 1 1 A 121 121 ILE H H 121 7.874 7.210 0.664 1
1 1423 . 10 1 1 A 121 121 ILE HA H 121 4.035 4.127 -0.092 1
1 1433 . 10 1 1 A 121 121 ILE C C 121 175.950 174.300 1.650 1
1 1434 . 10 1 1 A 121 121 ILE CA C 121 61.120 61.097 0.023 1
1 1435 . 10 1 1 A 121 121 ILE CB C 121 38.708 36.133 2.575 1
1 1439 . 10 1 1 A 121 121 ILE N N 121 121.301 122.149 -0.848 1
1 1440 . 10 1 1 A 122 122 ASP H H 122 8.317 8.313 0.004 1
1 1441 . 10 1 1 A 122 122 ASP HA H 122 4.677 5.286 -0.609 1
1 1444 . 10 1 1 A 122 122 ASP C C 122 176.278 175.172 1.106 1
1 1445 . 10 1 1 A 122 122 ASP CA C 122 54.157 52.636 1.521 1
1 1446 . 10 1 1 A 122 122 ASP CB C 122 41.316 43.679 -2.363 1
1 1447 . 10 1 1 A 122 122 ASP N N 122 124.058 126.813 -2.755 1
1 1448 . 10 1 1 A 123 123 THR H H 123 8.003 9.116 -1.113 1
1 1449 . 10 1 1 A 123 123 THR HA H 123 4.307 4.225 0.082 1
1 1454 . 10 1 1 A 123 123 THR C C 123 173.831 173.868 -0.037 1
1 1455 . 10 1 1 A 123 123 THR CA C 123 61.715 63.981 -2.266 1
1 1456 . 10 1 1 A 123 123 THR CB C 123 69.736 68.727 1.009 1
1 1458 . 10 1 1 A 123 123 THR N N 123 114.853 120.003 -5.150 1
1 2 . 11 1 1 A 9 9 LYS H H 9 8.338 7.942 0.396 1
1 3 . 11 1 1 A 9 9 LYS C C 9 176.402 176.543 -0.141 1
1 4 . 11 1 1 A 9 9 LYS N N 9 122.857 114.803 8.054 1
1 5 . 11 1 1 A 10 10 ASP H H 10 8.335 7.820 0.515 1
1 6 . 11 1 1 A 10 10 ASP HA H 10 4.562 4.559 0.003 1
1 9 . 11 1 1 A 10 10 ASP C C 10 176.123 176.781 -0.658 1
1 10 . 11 1 1 A 10 10 ASP CA C 10 54.344 54.667 -0.323 1
1 11 . 11 1 1 A 10 10 ASP CB C 10 41.227 42.706 -1.479 1
1 12 . 11 1 1 A 10 10 ASP N N 10 121.507 118.546 2.961 1
1 13 . 11 1 1 A 11 11 GLU H H 11 8.231 7.794 0.437 1
1 14 . 11 1 1 A 11 11 GLU HA H 11 4.222 4.355 -0.133 1
1 19 . 11 1 1 A 11 11 GLU CA C 11 56.356 56.270 0.086 1
1 20 . 11 1 1 A 11 11 GLU CB C 11 30.439 30.505 -0.066 1
1 22 . 11 1 1 A 11 11 GLU N N 11 121.321 116.571 4.750 1
1 23 . 11 1 1 A 12 12 HIS H H 12 8.431 7.817 0.614 1
1 24 . 11 1 1 A 12 12 HIS HA H 12 4.618 4.204 0.414 1
1 28 . 11 1 1 A 12 12 HIS C C 12 174.980 173.669 1.311 1
1 29 . 11 1 1 A 12 12 HIS CA C 12 55.952 56.069 -0.117 1
1 30 . 11 1 1 A 12 12 HIS CB C 12 30.058 28.203 1.855 1
1 32 . 11 1 1 A 12 12 HIS N N 12 120.447 115.647 4.800 1
1 33 . 11 1 1 A 13 13 LYS H H 13 8.191 7.833 0.358 1
1 34 . 11 1 1 A 13 13 LYS HA H 13 4.355 4.665 -0.310 1
1 43 . 11 1 1 A 13 13 LYS C C 13 175.327 174.154 1.173 1
1 44 . 11 1 1 A 13 13 LYS CA C 13 55.620 55.267 0.353 1
1 45 . 11 1 1 A 13 13 LYS CB C 13 33.729 35.514 -1.785 1
1 49 . 11 1 1 A 13 13 LYS N N 13 124.365 124.056 0.309 1
1 50 . 11 1 1 A 14 14 GLN H H 14 8.229 9.090 -0.861 1
1 51 . 11 1 1 A 14 14 GLN HA H 14 4.037 4.825 -0.788 1
1 58 . 11 1 1 A 14 14 GLN C C 14 173.432 174.429 -0.997 1
1 59 . 11 1 1 A 14 14 GLN CA C 14 54.613 54.349 0.264 1
1 60 . 11 1 1 A 14 14 GLN CB C 14 29.096 30.474 -1.378 1
1 62 . 11 1 1 A 14 14 GLN N N 14 123.823 128.478 -4.655 1
1 64 . 11 1 1 A 15 15 GLN H H 15 7.896 8.753 -0.857 1
1 65 . 11 1 1 A 15 15 GLN HA H 15 5.459 5.459 0.000 1
1 70 . 11 1 1 A 15 15 GLN C C 15 174.263 174.792 -0.529 1
1 71 . 11 1 1 A 15 15 GLN CA C 15 54.506 54.353 0.153 1
1 72 . 11 1 1 A 15 15 GLN CB C 15 31.418 32.658 -1.240 1
1 74 . 11 1 1 A 15 15 GLN N N 15 121.452 126.661 -5.209 1
1 75 . 11 1 1 A 16 16 GLY H H 16 8.795 8.392 0.403 1
1 76 . 11 1 1 A 16 16 GLY HA2 H 16 4.056 4.188 -0.132 1
1 77 . 11 1 1 A 16 16 GLY HA3 H 16 4.801 4.459 0.342 1
1 78 . 11 1 1 A 16 16 GLY C C 16 171.456 171.449 0.007 1
1 79 . 11 1 1 A 16 16 GLY CA C 16 44.773 46.078 -1.305 1
1 80 . 11 1 1 A 16 16 GLY N N 16 107.937 111.540 -3.603 1
1 81 . 11 1 1 A 17 17 GLU H H 17 8.718 8.585 0.133 1
1 82 . 11 1 1 A 17 17 GLU HA H 17 5.220 5.153 0.067 1
1 87 . 11 1 1 A 17 17 GLU C C 17 176.562 174.847 1.715 1
1 88 . 11 1 1 A 17 17 GLU CA C 17 55.880 54.602 1.278 1
1 89 . 11 1 1 A 17 17 GLU CB C 17 30.995 33.128 -2.133 1
1 91 . 11 1 1 A 17 17 GLU N N 17 119.686 122.095 -2.409 1
1 92 . 11 1 1 A 18 18 LEU H H 18 8.806 8.281 0.525 1
1 93 . 11 1 1 A 18 18 LEU HA H 18 4.652 4.415 0.237 1
1 103 . 11 1 1 A 18 18 LEU C C 18 176.851 173.873 2.978 1
1 104 . 11 1 1 A 18 18 LEU CA C 18 53.786 53.124 0.662 1
1 105 . 11 1 1 A 18 18 LEU CB C 18 47.961 43.988 3.973 1
1 109 . 11 1 1 A 18 18 LEU N N 18 122.158 121.995 0.163 1
1 110 . 11 1 1 A 19 19 TYR H H 19 8.833 8.417 0.416 1
1 111 . 11 1 1 A 19 19 TYR HA H 19 5.837 5.678 0.159 1
1 118 . 11 1 1 A 19 19 TYR C C 19 176.038 175.510 0.528 1
1 119 . 11 1 1 A 19 19 TYR CA C 19 56.750 56.712 0.038 1
1 120 . 11 1 1 A 19 19 TYR CB C 19 40.531 43.129 -2.598 1
1 125 . 11 1 1 A 19 19 TYR N N 19 117.278 119.239 -1.961 1
1 126 . 11 1 1 A 20 20 MET H H 20 9.743 9.294 0.449 1
1 127 . 11 1 1 A 20 20 MET HA H 20 5.207 5.116 0.091 1
1 135 . 11 1 1 A 20 20 MET C C 20 175.349 175.139 0.210 1
1 136 . 11 1 1 A 20 20 MET CA C 20 54.611 54.493 0.118 1
1 137 . 11 1 1 A 20 20 MET CB C 20 37.352 36.450 0.902 1
1 140 . 11 1 1 A 20 20 MET N N 20 120.128 120.404 -0.276 1
1 141 . 11 1 1 A 21 21 TRP H H 21 8.142 8.334 -0.192 1
1 142 . 11 1 1 A 21 21 TRP HA H 21 4.084 3.615 0.469 1
1 150 . 11 1 1 A 21 21 TRP C C 21 174.752 174.424 0.328 1
1 151 . 11 1 1 A 21 21 TRP CA C 21 56.246 57.777 -1.531 1
1 152 . 11 1 1 A 21 21 TRP CB C 21 29.682 29.544 0.138 1
1 157 . 11 1 1 A 21 21 TRP N N 21 126.799 125.746 1.053 1
1 159 . 11 1 1 A 22 22 ASP H H 22 8.034 7.769 0.265 1
1 160 . 11 1 1 A 22 22 ASP HA H 22 4.417 4.569 -0.152 1
1 163 . 11 1 1 A 22 22 ASP C C 22 175.814 175.875 -0.061 1
1 164 . 11 1 1 A 22 22 ASP CA C 22 52.020 52.646 -0.626 1
1 165 . 11 1 1 A 22 22 ASP CB C 22 41.748 41.335 0.413 1
1 166 . 11 1 1 A 22 22 ASP N N 22 129.313 127.031 2.282 1
1 167 . 11 1 1 A 23 23 SER H H 23 8.331 8.401 -0.070 1
1 168 . 11 1 1 A 23 23 SER HA H 23 3.719 3.819 -0.100 1
1 171 . 11 1 1 A 23 23 SER C C 23 175.145 175.652 -0.507 1
1 172 . 11 1 1 A 23 23 SER CA C 23 59.732 60.327 -0.595 1
1 173 . 11 1 1 A 23 23 SER CB C 23 63.304 62.875 0.429 1
1 174 . 11 1 1 A 23 23 SER N N 23 119.796 118.747 1.049 1
1 175 . 11 1 1 A 24 24 ILE H H 24 8.044 7.512 0.532 1
1 176 . 11 1 1 A 24 24 ILE HA H 24 3.849 3.784 0.065 1
1 186 . 11 1 1 A 24 24 ILE C C 24 177.615 176.988 0.627 1
1 187 . 11 1 1 A 24 24 ILE CA C 24 63.257 64.017 -0.760 1
1 188 . 11 1 1 A 24 24 ILE CB C 24 36.400 38.451 -2.051 1
1 192 . 11 1 1 A 24 24 ILE N N 24 124.085 121.499 2.586 1
1 193 . 11 1 1 A 25 25 ASP H H 25 7.641 7.489 0.152 1
1 194 . 11 1 1 A 25 25 ASP HA H 25 4.492 4.695 -0.203 1
1 197 . 11 1 1 A 25 25 ASP C C 25 175.486 175.063 0.423 1
1 198 . 11 1 1 A 25 25 ASP CA C 25 54.313 53.018 1.295 1
1 199 . 11 1 1 A 25 25 ASP CB C 25 40.789 41.880 -1.091 1
1 200 . 11 1 1 A 25 25 ASP N N 25 118.371 118.955 -0.584 1
1 201 . 11 1 1 A 26 26 GLN H H 26 7.340 7.553 -0.213 1
1 202 . 11 1 1 A 26 26 GLN HA H 26 2.828 3.306 -0.478 1
1 209 . 11 1 1 A 26 26 GLN C C 26 173.882 174.551 -0.669 1
1 210 . 11 1 1 A 26 26 GLN CA C 26 55.956 56.570 -0.614 1
1 211 . 11 1 1 A 26 26 GLN CB C 26 25.070 26.685 -1.615 1
1 213 . 11 1 1 A 26 26 GLN N N 26 116.358 116.062 0.296 1
1 215 . 11 1 1 A 27 27 LYS H H 27 6.283 6.600 -0.317 1
1 216 . 11 1 1 A 27 27 LYS HA H 27 4.395 4.948 -0.553 1
1 225 . 11 1 1 A 27 27 LYS C C 27 173.510 173.997 -0.487 1
1 226 . 11 1 1 A 27 27 LYS CA C 27 54.164 54.961 -0.797 1
1 227 . 11 1 1 A 27 27 LYS CB C 27 35.825 34.681 1.144 1
1 231 . 11 1 1 A 27 27 LYS N N 27 114.611 113.752 0.859 1
1 232 . 11 1 1 A 28 28 TRP H H 28 8.751 8.640 0.111 1
1 233 . 11 1 1 A 28 28 TRP HA H 28 5.383 5.587 -0.204 1
1 242 . 11 1 1 A 28 28 TRP C C 28 177.411 176.714 0.697 1
1 243 . 11 1 1 A 28 28 TRP CA C 28 55.957 55.500 0.457 1
1 244 . 11 1 1 A 28 28 TRP CB C 28 30.752 31.231 -0.479 1
1 250 . 11 1 1 A 28 28 TRP N N 28 121.520 118.946 2.574 1
1 252 . 11 1 1 A 29 29 THR H H 29 9.413 8.938 0.475 1
1 253 . 11 1 1 A 29 29 THR HA H 29 4.852 5.209 -0.357 1
1 258 . 11 1 1 A 29 29 THR C C 29 173.520 172.944 0.576 1
1 259 . 11 1 1 A 29 29 THR CA C 29 60.308 59.880 0.428 1
1 260 . 11 1 1 A 29 29 THR CB C 29 69.736 71.164 -1.428 1
1 262 . 11 1 1 A 29 29 THR N N 29 117.059 115.445 1.614 1
1 263 . 11 1 1 A 30 30 ARG H H 30 9.117 8.545 0.572 1
1 264 . 11 1 1 A 30 30 ARG HA H 30 4.790 4.381 0.409 1
1 272 . 11 1 1 A 30 30 ARG C C 30 174.447 174.955 -0.508 1
1 273 . 11 1 1 A 30 30 ARG CA C 30 55.949 54.791 1.158 1
1 274 . 11 1 1 A 30 30 ARG CB C 30 33.388 31.514 1.874 1
1 277 . 11 1 1 A 30 30 ARG N N 30 126.027 122.356 3.671 1
1 278 . 11 1 1 A 31 31 HIS H H 31 9.011 8.881 0.130 1
1 279 . 11 1 1 A 31 31 HIS HA H 31 4.636 5.098 -0.462 1
1 282 . 11 1 1 A 31 31 HIS C C 31 173.947 173.298 0.649 1
1 283 . 11 1 1 A 31 31 HIS CA C 31 55.185 54.442 0.743 1
1 284 . 11 1 1 A 31 31 HIS CB C 31 33.332 33.723 -0.391 1
1 285 . 11 1 1 A 31 31 HIS N N 31 121.017 124.506 -3.489 1
1 286 . 11 1 1 A 32 32 TYR H H 32 9.361 9.027 0.334 1
1 287 . 11 1 1 A 32 32 TYR HA H 32 4.745 4.857 -0.112 1
1 294 . 11 1 1 A 32 32 TYR C C 32 176.298 174.427 1.871 1
1 295 . 11 1 1 A 32 32 TYR CA C 32 59.316 56.741 2.575 1
1 296 . 11 1 1 A 32 32 TYR CB C 32 39.341 39.349 -0.008 1
1 301 . 11 1 1 A 32 32 TYR N N 32 124.440 123.528 0.912 1
1 302 . 11 1 1 A 33 33 CYS H H 33 8.750 8.181 0.569 1
1 303 . 11 1 1 A 33 33 CYS HA H 33 5.857 5.009 0.848 1
1 306 . 11 1 1 A 33 33 CYS C C 33 172.735 174.005 -1.270 1
1 307 . 11 1 1 A 33 33 CYS CA C 33 57.108 58.135 -1.027 1
1 308 . 11 1 1 A 33 33 CYS CB C 33 32.779 29.291 3.488 1
1 309 . 11 1 1 A 33 33 CYS N N 33 127.462 126.663 0.799 1
1 310 . 11 1 1 A 34 34 ALA H H 34 8.565 8.567 -0.002 1
1 311 . 11 1 1 A 34 34 ALA HA H 34 5.290 4.990 0.300 1
1 315 . 11 1 1 A 34 34 ALA C C 34 176.215 175.820 0.395 1
1 316 . 11 1 1 A 34 34 ALA CA C 34 51.773 52.106 -0.333 1
1 317 . 11 1 1 A 34 34 ALA CB C 34 23.139 21.956 1.183 1
1 318 . 11 1 1 A 34 34 ALA N N 34 121.115 122.680 -1.565 1
1 319 . 11 1 1 A 35 35 ILE H H 35 8.413 8.760 -0.347 1
1 320 . 11 1 1 A 35 35 ILE HA H 35 5.275 4.858 0.417 1
1 330 . 11 1 1 A 35 35 ILE C C 35 175.768 175.139 0.629 1
1 331 . 11 1 1 A 35 35 ILE CA C 35 60.105 60.578 -0.473 1
1 332 . 11 1 1 A 35 35 ILE CB C 35 39.737 38.069 1.668 1
1 336 . 11 1 1 A 35 35 ILE N N 35 120.176 123.411 -3.235 1
1 337 . 11 1 1 A 36 36 ALA H H 36 8.666 8.515 0.151 1
1 338 . 11 1 1 A 36 36 ALA HA H 36 4.581 4.727 -0.146 1
1 342 . 11 1 1 A 36 36 ALA CA C 36 52.028 50.952 1.076 1
1 343 . 11 1 1 A 36 36 ALA CB C 36 21.365 20.513 0.852 1
1 344 . 11 1 1 A 36 36 ALA N N 36 129.732 131.430 -1.698 1
1 345 . 11 1 1 A 37 37 ASP H H 37 9.379 9.045 0.334 1
1 346 . 11 1 1 A 37 37 ASP HA H 37 4.228 4.453 -0.225 1
1 349 . 11 1 1 A 37 37 ASP C C 37 174.579 175.683 -1.104 1
1 350 . 11 1 1 A 37 37 ASP CA C 37 55.822 56.832 -1.010 1
1 351 . 11 1 1 A 37 37 ASP CB C 37 39.784 40.388 -0.604 1
1 352 . 11 1 1 A 37 37 ASP N N 37 124.926 122.768 2.158 1
1 353 . 11 1 1 A 38 38 ALA H H 38 8.710 8.326 0.384 1
1 354 . 11 1 1 A 38 38 ALA HA H 38 3.911 4.524 -0.613 1
1 358 . 11 1 1 A 38 38 ALA C C 38 174.866 177.455 -2.589 1
1 359 . 11 1 1 A 38 38 ALA CA C 38 53.040 52.165 0.875 1
1 360 . 11 1 1 A 38 38 ALA CB C 38 17.654 21.691 -4.037 1
1 361 . 11 1 1 A 38 38 ALA N N 38 115.547 124.705 -9.158 1
1 362 . 11 1 1 A 39 39 LYS H H 39 8.054 7.563 0.491 1
1 363 . 11 1 1 A 39 39 LYS HA H 39 5.247 4.745 0.502 1
1 372 . 11 1 1 A 39 39 LYS C C 39 175.201 175.132 0.069 1
1 373 . 11 1 1 A 39 39 LYS CA C 39 54.583 54.884 -0.301 1
1 374 . 11 1 1 A 39 39 LYS CB C 39 34.824 34.141 0.683 1
1 378 . 11 1 1 A 39 39 LYS N N 39 117.589 117.536 0.053 1
1 379 . 11 1 1 A 40 40 LEU H H 40 9.090 8.510 0.580 1
1 380 . 11 1 1 A 40 40 LEU HA H 40 5.353 5.084 0.269 1
1 390 . 11 1 1 A 40 40 LEU C C 40 175.382 174.302 1.080 1
1 391 . 11 1 1 A 40 40 LEU CA C 40 53.987 53.709 0.278 1
1 392 . 11 1 1 A 40 40 LEU CB C 40 45.718 45.550 0.168 1
1 396 . 11 1 1 A 40 40 LEU N N 40 126.300 124.613 1.687 1
1 397 . 11 1 1 A 41 41 SER H H 41 9.539 8.928 0.611 1
1 398 . 11 1 1 A 41 41 SER HA H 41 5.493 4.901 0.592 1
1 401 . 11 1 1 A 41 41 SER C C 41 173.435 173.236 0.199 1
1 402 . 11 1 1 A 41 41 SER CA C 41 56.816 56.891 -0.075 1
1 403 . 11 1 1 A 41 41 SER CB C 41 65.706 63.992 1.714 1
1 404 . 11 1 1 A 41 41 SER N N 41 123.399 122.635 0.764 1
1 405 . 11 1 1 A 42 42 PHE H H 42 8.344 7.905 0.439 1
1 406 . 11 1 1 A 42 42 PHE HA H 42 5.888 5.485 0.403 1
1 414 . 11 1 1 A 42 42 PHE C C 42 175.198 174.311 0.887 1
1 415 . 11 1 1 A 42 42 PHE CA C 42 54.335 55.457 -1.122 1
1 416 . 11 1 1 A 42 42 PHE CB C 42 43.360 40.953 2.407 1
1 422 . 11 1 1 A 42 42 PHE N N 42 117.935 124.546 -6.611 1
1 423 . 11 1 1 A 43 43 SER H H 43 8.843 8.562 0.281 1
1 424 . 11 1 1 A 43 43 SER HA H 43 4.918 5.207 -0.289 1
1 427 . 11 1 1 A 43 43 SER C C 43 175.040 173.543 1.497 1
1 428 . 11 1 1 A 43 43 SER CA C 43 58.215 56.506 1.709 1
1 429 . 11 1 1 A 43 43 SER CB C 43 66.789 65.573 1.216 1
1 430 . 11 1 1 A 43 43 SER N N 43 117.280 117.612 -0.332 1
1 431 . 11 1 1 A 44 44 ASP H H 44 8.818 8.508 0.310 1
1 432 . 11 1 1 A 44 44 ASP HA H 44 4.909 4.758 0.151 1
1 435 . 11 1 1 A 44 44 ASP C C 44 175.955 175.734 0.221 1
1 436 . 11 1 1 A 44 44 ASP CA C 44 54.815 53.352 1.463 1
1 437 . 11 1 1 A 44 44 ASP CB C 44 41.729 41.725 0.004 1
1 438 . 11 1 1 A 44 44 ASP N N 44 120.846 122.069 -1.223 1
1 439 . 11 1 1 A 45 45 ASP H H 45 8.726 8.564 0.162 1
1 440 . 11 1 1 A 45 45 ASP HA H 45 4.273 4.663 -0.390 1
1 443 . 11 1 1 A 45 45 ASP C C 45 177.889 177.600 0.289 1
1 444 . 11 1 1 A 45 45 ASP CA C 45 54.145 54.991 -0.846 1
1 445 . 11 1 1 A 45 45 ASP CB C 45 41.329 41.553 -0.224 1
1 446 . 11 1 1 A 45 45 ASP N N 45 120.848 119.800 1.048 1
1 447 . 11 1 1 A 46 46 ILE H H 46 8.369 8.050 0.319 1
1 448 . 11 1 1 A 46 46 ILE HA H 46 4.079 4.457 -0.378 1
1 458 . 11 1 1 A 46 46 ILE C C 46 177.339 176.522 0.817 1
1 459 . 11 1 1 A 46 46 ILE CA C 46 62.357 60.739 1.618 1
1 460 . 11 1 1 A 46 46 ILE CB C 46 38.708 38.750 -0.042 1
1 464 . 11 1 1 A 46 46 ILE N N 46 123.832 117.807 6.025 1
1 465 . 11 1 1 A 47 47 GLU H H 47 8.577 7.996 0.581 1
1 466 . 11 1 1 A 47 47 GLU HA H 47 4.258 4.524 -0.266 1
1 471 . 11 1 1 A 47 47 GLU C C 47 177.164 176.243 0.921 1
1 472 . 11 1 1 A 47 47 GLU CA C 47 57.249 56.917 0.332 1
1 473 . 11 1 1 A 47 47 GLU CB C 47 29.900 32.023 -2.123 1
1 475 . 11 1 1 A 47 47 GLU N N 47 122.294 120.085 2.209 1
1 476 . 11 1 1 A 48 48 GLN H H 48 7.894 7.774 0.120 1
1 477 . 11 1 1 A 48 48 GLN HA H 48 4.365 4.475 -0.110 1
1 484 . 11 1 1 A 48 48 GLN C C 48 176.278 175.125 1.153 1
1 485 . 11 1 1 A 48 48 GLN CA C 48 55.830 54.955 0.875 1
1 486 . 11 1 1 A 48 48 GLN CB C 48 29.383 28.899 0.484 1
1 488 . 11 1 1 A 48 48 GLN N N 48 118.968 119.274 -0.306 1
1 490 . 11 1 1 A 49 49 THR H H 49 8.048 7.517 0.531 1
1 491 . 11 1 1 A 49 49 THR HA H 49 4.331 4.090 0.241 1
1 496 . 11 1 1 A 49 49 THR C C 49 174.784 174.325 0.459 1
1 497 . 11 1 1 A 49 49 THR CA C 49 62.135 62.465 -0.330 1
1 498 . 11 1 1 A 49 49 THR CB C 49 69.736 69.529 0.207 1
1 500 . 11 1 1 A 49 49 THR N N 49 114.601 113.299 1.302 1
1 501 . 11 1 1 A 50 50 MET H H 50 8.409 8.925 -0.516 1
1 502 . 11 1 1 A 50 50 MET HA H 50 4.510 4.396 0.114 1
1 510 . 11 1 1 A 50 50 MET C C 50 176.451 176.131 0.320 1
1 511 . 11 1 1 A 50 50 MET CA C 50 55.601 57.822 -2.221 1
1 512 . 11 1 1 A 50 50 MET CB C 50 32.850 33.096 -0.246 1
1 515 . 11 1 1 A 50 50 MET N N 50 122.660 123.368 -0.708 1
1 516 . 11 1 1 A 51 51 GLU H H 51 8.418 7.999 0.419 1
1 517 . 11 1 1 A 51 51 GLU HA H 51 4.272 4.059 0.213 1
1 522 . 11 1 1 A 51 51 GLU C C 51 176.777 176.280 0.497 1
1 523 . 11 1 1 A 51 51 GLU CA C 51 56.680 56.984 -0.304 1
1 524 . 11 1 1 A 51 51 GLU CB C 51 30.262 28.282 1.980 1
1 526 . 11 1 1 A 51 51 GLU N N 51 121.650 115.931 5.719 1
1 527 . 11 1 1 A 52 52 GLU H H 52 8.325 8.217 0.108 1
1 528 . 11 1 1 A 52 52 GLU HA H 52 4.174 4.057 0.117 1
1 533 . 11 1 1 A 52 52 GLU C C 52 176.178 177.800 -1.622 1
1 534 . 11 1 1 A 52 52 GLU N N 52 120.869 123.363 -2.494 1
1 535 . 11 1 1 A 53 53 ASP H H 53 8.320 8.025 0.295 1
1 536 . 11 1 1 A 53 53 ASP HA H 53 4.527 4.727 -0.200 1
1 539 . 11 1 1 A 53 53 ASP C C 53 175.650 174.812 0.838 1
1 540 . 11 1 1 A 53 53 ASP CA C 53 54.322 53.875 0.447 1
1 541 . 11 1 1 A 53 53 ASP CB C 53 41.040 40.853 0.187 1
1 542 . 11 1 1 A 53 53 ASP N N 53 119.656 117.095 2.561 1
1 543 . 11 1 1 A 54 54 ASN H H 54 8.134 8.064 0.070 1
1 544 . 11 1 1 A 54 54 ASN HA H 54 4.970 4.368 0.602 1
1 549 . 11 1 1 A 54 54 ASN CA C 54 51.120 53.816 -2.696 1
1 550 . 11 1 1 A 54 54 ASN CB C 54 39.125 37.121 2.004 1
1 551 . 11 1 1 A 54 54 ASN N N 54 118.436 114.452 3.984 1
1 553 . 11 1 1 A 55 55 PRO HA H 55 4.394 4.640 -0.246 1
1 560 . 11 1 1 A 55 55 PRO C C 55 177.514 175.922 1.592 1
1 561 . 11 1 1 A 55 55 PRO CA C 55 63.910 62.206 1.704 1
1 562 . 11 1 1 A 55 55 PRO CB C 55 32.077 33.228 -1.151 1
1 565 . 11 1 1 A 56 56 LEU H H 56 8.181 8.379 -0.198 1
1 566 . 11 1 1 A 56 56 LEU HA H 56 4.268 4.584 -0.316 1
1 576 . 11 1 1 A 56 56 LEU C C 56 178.176 175.680 2.496 1
1 577 . 11 1 1 A 56 56 LEU CA C 56 55.542 54.432 1.110 1
1 578 . 11 1 1 A 56 56 LEU CB C 56 41.783 42.771 -0.988 1
1 582 . 11 1 1 A 56 56 LEU N N 56 120.122 122.213 -2.091 1
1 583 . 11 1 1 A 57 57 GLY H H 57 8.071 8.936 -0.865 1
1 584 . 11 1 1 A 57 57 GLY HA2 H 57 3.946 3.903 0.043 1
1 585 . 11 1 1 A 57 57 GLY HA3 H 57 3.946 3.909 0.037 1
1 586 . 11 1 1 A 57 57 GLY C C 57 174.306 172.902 1.404 1
1 587 . 11 1 1 A 57 57 GLY CA C 57 45.460 46.556 -1.096 1
1 588 . 11 1 1 A 57 57 GLY N N 57 108.437 115.046 -6.609 1
1 589 . 11 1 1 A 58 58 SER H H 58 8.170 8.308 -0.138 1
1 590 . 11 1 1 A 58 58 SER HA H 58 4.460 4.846 -0.386 1
1 593 . 11 1 1 A 58 58 SER C C 58 174.785 174.846 -0.061 1
1 594 . 11 1 1 A 58 58 SER CA C 58 58.319 56.322 1.997 1
1 595 . 11 1 1 A 58 58 SER CB C 58 63.792 65.148 -1.356 1
1 596 . 11 1 1 A 58 58 SER N N 58 115.478 120.309 -4.831 1
1 597 . 11 1 1 A 59 59 LEU H H 59 8.278 8.756 -0.478 1
1 598 . 11 1 1 A 59 59 LEU HA H 59 4.384 4.031 0.353 1
1 608 . 11 1 1 A 59 59 LEU CA C 59 55.219 58.451 -3.232 1
1 609 . 11 1 1 A 59 59 LEU CB C 59 42.377 41.859 0.518 1
1 613 . 11 1 1 A 59 59 LEU N N 59 124.033 126.858 -2.825 1
1 614 . 11 1 1 A 60 60 CYS H H 60 8.331 8.181 0.150 1
1 615 . 11 1 1 A 60 60 CYS HA H 60 4.398 4.304 0.094 1
1 618 . 11 1 1 A 60 60 CYS C C 60 174.142 174.560 -0.418 1
1 619 . 11 1 1 A 60 60 CYS CA C 60 58.505 59.234 -0.729 1
1 620 . 11 1 1 A 60 60 CYS CB C 60 27.338 27.150 0.188 1
1 621 . 11 1 1 A 60 60 CYS N N 60 120.390 115.363 5.027 1
1 622 . 11 1 1 A 61 61 ARG H H 61 8.632 8.868 -0.236 1
1 623 . 11 1 1 A 61 61 ARG HA H 61 4.337 4.510 -0.173 1
1 630 . 11 1 1 A 61 61 ARG C C 61 176.096 175.689 0.407 1
1 631 . 11 1 1 A 61 61 ARG CA C 61 56.003 56.361 -0.358 1
1 632 . 11 1 1 A 61 61 ARG CB C 61 30.757 30.951 -0.194 1
1 635 . 11 1 1 A 61 61 ARG N N 61 125.869 125.759 0.110 1
1 636 . 11 1 1 A 62 62 GLY H H 62 7.263 7.073 0.190 1
1 637 . 11 1 1 A 62 62 GLY HA2 H 62 3.008 3.639 -0.631 1
1 638 . 11 1 1 A 62 62 GLY HA3 H 62 3.875 3.874 0.001 1
1 639 . 11 1 1 A 62 62 GLY C C 62 170.609 171.121 -0.512 1
1 640 . 11 1 1 A 62 62 GLY CA C 62 44.808 44.880 -0.072 1
1 641 . 11 1 1 A 62 62 GLY N N 62 107.908 105.692 2.216 1
1 642 . 11 1 1 A 63 63 ILE H H 63 7.895 8.140 -0.245 1
1 643 . 11 1 1 A 63 63 ILE HA H 63 4.843 4.717 0.126 1
1 653 . 11 1 1 A 63 63 ILE C C 63 175.450 174.322 1.128 1
1 654 . 11 1 1 A 63 63 ILE CA C 63 60.322 59.493 0.829 1
1 655 . 11 1 1 A 63 63 ILE CB C 63 41.957 42.108 -0.151 1
1 659 . 11 1 1 A 63 63 ILE N N 63 117.987 120.027 -2.040 1
1 660 . 11 1 1 A 64 64 LEU H H 64 9.429 9.301 0.128 1
1 661 . 11 1 1 A 64 64 LEU HA H 64 4.916 5.029 -0.113 1
1 671 . 11 1 1 A 64 64 LEU C C 64 176.136 175.157 0.979 1
1 672 . 11 1 1 A 64 64 LEU CA C 64 53.059 53.766 -0.707 1
1 673 . 11 1 1 A 64 64 LEU CB C 64 43.788 44.376 -0.588 1
1 677 . 11 1 1 A 64 64 LEU N N 64 127.063 129.834 -2.771 1
1 678 . 11 1 1 A 65 65 ASP H H 65 9.241 9.213 0.028 1
1 679 . 11 1 1 A 65 65 ASP HA H 65 4.818 4.838 -0.020 1
1 682 . 11 1 1 A 65 65 ASP C C 65 177.925 176.156 1.769 1
1 683 . 11 1 1 A 65 65 ASP CA C 65 53.628 53.766 -0.138 1
1 684 . 11 1 1 A 65 65 ASP CB C 65 40.307 38.956 1.351 1
1 685 . 11 1 1 A 65 65 ASP N N 65 122.728 126.714 -3.986 1
1 686 . 11 1 1 A 66 66 LEU H H 66 8.766 8.288 0.478 1
1 687 . 11 1 1 A 66 66 LEU HA H 66 4.212 4.193 0.019 1
1 697 . 11 1 1 A 66 66 LEU C C 66 177.167 179.342 -2.175 1
1 698 . 11 1 1 A 66 66 LEU CA C 66 57.854 57.394 0.460 1
1 699 . 11 1 1 A 66 66 LEU CB C 66 41.006 41.611 -0.605 1
1 703 . 11 1 1 A 66 66 LEU N N 66 126.997 125.111 1.886 1
1 704 . 11 1 1 A 67 67 ASN H H 67 8.585 8.273 0.312 1
1 705 . 11 1 1 A 67 67 ASN HA H 67 4.721 4.578 0.143 1
1 710 . 11 1 1 A 67 67 ASN C C 67 176.583 176.636 -0.053 1
1 711 . 11 1 1 A 67 67 ASN CA C 67 55.648 56.355 -0.707 1
1 712 . 11 1 1 A 67 67 ASN CB C 67 38.464 38.542 -0.078 1
1 713 . 11 1 1 A 67 67 ASN N N 67 113.883 117.822 -3.939 1
1 715 . 11 1 1 A 68 68 THR H H 68 8.007 7.756 0.251 1
1 716 . 11 1 1 A 68 68 THR HA H 68 4.513 4.670 -0.157 1
1 721 . 11 1 1 A 68 68 THR C C 68 172.870 172.897 -0.027 1
1 722 . 11 1 1 A 68 68 THR CA C 68 61.441 60.832 0.609 1
1 723 . 11 1 1 A 68 68 THR CB C 68 69.432 68.647 0.785 1
1 725 . 11 1 1 A 68 68 THR N N 68 108.340 104.979 3.361 1
1 726 . 11 1 1 A 69 69 TYR H H 69 7.560 7.612 -0.052 1
1 727 . 11 1 1 A 69 69 TYR HA H 69 5.199 5.502 -0.303 1
1 734 . 11 1 1 A 69 69 TYR C C 69 174.283 174.317 -0.034 1
1 735 . 11 1 1 A 69 69 TYR CA C 69 57.848 56.227 1.621 1
1 736 . 11 1 1 A 69 69 TYR CB C 69 44.393 43.514 0.879 1
1 741 . 11 1 1 A 69 69 TYR N N 69 119.888 121.561 -1.673 1
1 742 . 11 1 1 A 70 70 ASN H H 70 9.116 9.069 0.047 1
1 743 . 11 1 1 A 70 70 ASN HA H 70 5.162 5.482 -0.320 1
1 748 . 11 1 1 A 70 70 ASN C C 70 174.340 174.150 0.190 1
1 749 . 11 1 1 A 70 70 ASN CA C 70 52.364 52.523 -0.159 1
1 750 . 11 1 1 A 70 70 ASN CB C 70 42.062 43.064 -1.002 1
1 751 . 11 1 1 A 70 70 ASN N N 70 116.071 117.703 -1.632 1
1 753 . 11 1 1 A 71 71 VAL H H 71 8.564 8.979 -0.415 1
1 754 . 11 1 1 A 71 71 VAL HA H 71 5.766 4.844 0.922 1
1 762 . 11 1 1 A 71 71 VAL C C 71 173.261 175.632 -2.371 1
1 763 . 11 1 1 A 71 71 VAL CA C 71 59.076 61.958 -2.882 1
1 764 . 11 1 1 A 71 71 VAL CB C 71 34.982 32.857 2.125 1
1 767 . 11 1 1 A 71 71 VAL N N 71 120.784 124.138 -3.354 1
1 768 . 11 1 1 A 72 72 VAL H H 72 9.308 8.615 0.693 1
1 769 . 11 1 1 A 72 72 VAL HA H 72 4.806 4.663 0.143 1
1 777 . 11 1 1 A 72 72 VAL C C 72 175.047 173.966 1.081 1
1 778 . 11 1 1 A 72 72 VAL CA C 72 60.330 59.789 0.541 1
1 779 . 11 1 1 A 72 72 VAL CB C 72 36.467 34.830 1.637 1
1 782 . 11 1 1 A 72 72 VAL N N 72 125.272 121.157 4.115 1
1 783 . 11 1 1 A 73 73 LYS H H 73 8.793 8.225 0.568 1
1 784 . 11 1 1 A 73 73 LYS HA H 73 4.652 2.988 1.664 1
1 793 . 11 1 1 A 73 73 LYS C C 73 176.241 174.627 1.614 1
1 794 . 11 1 1 A 73 73 LYS CA C 73 55.799 55.560 0.239 1
1 795 . 11 1 1 A 73 73 LYS CB C 73 33.452 32.256 1.196 1
1 799 . 11 1 1 A 73 73 LYS N N 73 124.197 126.430 -2.233 1
1 800 . 11 1 1 A 74 74 ALA H H 74 8.172 8.307 -0.135 1
1 801 . 11 1 1 A 74 74 ALA HA H 74 4.849 4.288 0.561 1
1 805 . 11 1 1 A 74 74 ALA CA C 74 49.540 50.073 -0.533 1
1 806 . 11 1 1 A 74 74 ALA CB C 74 17.685 19.409 -1.724 1
1 807 . 11 1 1 A 74 74 ALA N N 74 128.026 130.103 -2.077 1
1 808 . 11 1 1 A 75 75 PRO HA H 75 4.351 4.416 -0.065 1
1 815 . 11 1 1 A 75 75 PRO CA C 75 65.256 64.585 0.671 1
1 816 . 11 1 1 A 75 75 PRO CB C 75 32.158 31.975 0.183 1
1 819 . 11 1 1 A 76 76 GLN H H 76 8.660 7.988 0.672 1
1 820 . 11 1 1 A 76 76 GLN HA H 76 4.561 4.380 0.181 1
1 825 . 11 1 1 A 76 76 GLN C C 76 176.426 175.815 0.611 1
1 826 . 11 1 1 A 76 76 GLN CA C 76 55.168 55.376 -0.208 1
1 827 . 11 1 1 A 76 76 GLN CB C 76 28.925 29.008 -0.083 1
1 829 . 11 1 1 A 76 76 GLN N N 76 116.110 117.856 -1.746 1
1 830 . 11 1 1 A 77 77 GLY H H 77 7.527 8.073 -0.546 1
1 831 . 11 1 1 A 77 77 GLY HA2 H 77 3.382 3.789 -0.407 1
1 832 . 11 1 1 A 77 77 GLY HA3 H 77 4.505 3.811 0.694 1
1 833 . 11 1 1 A 77 77 GLY C C 77 172.487 174.529 -2.042 1
1 834 . 11 1 1 A 77 77 GLY CA C 77 44.852 45.796 -0.944 1
1 835 . 11 1 1 A 77 77 GLY N N 77 107.608 109.250 -1.642 1
1 836 . 11 1 1 A 78 78 LYS H H 78 8.123 8.563 -0.440 1
1 837 . 11 1 1 A 78 78 LYS HA H 78 4.191 4.435 -0.244 1
1 846 . 11 1 1 A 78 78 LYS C C 78 175.300 175.035 0.265 1
1 847 . 11 1 1 A 78 78 LYS CA C 78 56.737 57.526 -0.789 1
1 848 . 11 1 1 A 78 78 LYS CB C 78 35.900 35.553 0.347 1
1 852 . 11 1 1 A 78 78 LYS N N 78 117.756 123.524 -5.768 1
1 853 . 11 1 1 A 79 79 ASN H H 79 9.105 8.055 1.050 1
1 854 . 11 1 1 A 79 79 ASN HA H 79 4.099 4.853 -0.754 1
1 859 . 11 1 1 A 79 79 ASN C C 79 175.098 175.058 0.040 1
1 860 . 11 1 1 A 79 79 ASN CA C 79 54.563 52.090 2.473 1
1 861 . 11 1 1 A 79 79 ASN CB C 79 37.353 40.068 -2.715 1
1 862 . 11 1 1 A 79 79 ASN N N 79 120.643 115.756 4.887 1
1 864 . 11 1 1 A 80 80 GLN H H 80 8.608 8.649 -0.041 1
1 865 . 11 1 1 A 80 80 GLN HA H 80 3.648 3.844 -0.196 1
1 870 . 11 1 1 A 80 80 GLN C C 80 175.327 174.575 0.752 1
1 871 . 11 1 1 A 80 80 GLN CA C 80 57.975 57.163 0.812 1
1 872 . 11 1 1 A 80 80 GLN CB C 80 26.506 26.976 -0.470 1
1 874 . 11 1 1 A 80 80 GLN N N 80 108.385 121.049 -12.664 1
1 875 . 11 1 1 A 81 81 LYS H H 81 7.608 7.596 0.012 1
1 876 . 11 1 1 A 81 81 LYS HA H 81 4.325 4.590 -0.265 1
1 885 . 11 1 1 A 81 81 LYS C C 81 176.242 175.941 0.301 1
1 886 . 11 1 1 A 81 81 LYS CA C 81 54.186 54.134 0.052 1
1 887 . 11 1 1 A 81 81 LYS CB C 81 33.385 34.806 -1.421 1
1 891 . 11 1 1 A 81 81 LYS N N 81 119.675 119.431 0.244 1
1 892 . 11 1 1 A 82 82 SER H H 82 7.692 8.634 -0.942 1
1 893 . 11 1 1 A 82 82 SER HA H 82 3.850 4.333 -0.483 1
1 896 . 11 1 1 A 82 82 SER C C 82 174.045 172.900 1.145 1
1 897 . 11 1 1 A 82 82 SER CA C 82 60.984 59.111 1.873 1
1 898 . 11 1 1 A 82 82 SER CB C 82 62.962 64.865 -1.903 1
1 899 . 11 1 1 A 82 82 SER N N 82 117.008 117.885 -0.877 1
1 900 . 11 1 1 A 83 83 PHE H H 83 8.545 7.416 1.129 1
1 901 . 11 1 1 A 83 83 PHE HA H 83 4.921 5.248 -0.327 1
1 908 . 11 1 1 A 83 83 PHE C C 83 172.686 174.725 -2.039 1
1 909 . 11 1 1 A 83 83 PHE CA C 83 55.383 56.542 -1.159 1
1 910 . 11 1 1 A 83 83 PHE CB C 83 37.774 40.215 -2.441 1
1 915 . 11 1 1 A 83 83 PHE N N 83 124.073 117.659 6.414 1
1 916 . 11 1 1 A 84 84 VAL H H 84 8.420 8.680 -0.260 1
1 917 . 11 1 1 A 84 84 VAL HA H 84 5.348 5.099 0.249 1
1 925 . 11 1 1 A 84 84 VAL C C 84 175.816 174.858 0.958 1
1 926 . 11 1 1 A 84 84 VAL CA C 84 60.177 60.730 -0.553 1
1 927 . 11 1 1 A 84 84 VAL CB C 84 37.646 36.159 1.487 1
1 930 . 11 1 1 A 84 84 VAL N N 84 123.085 123.255 -0.170 1
1 931 . 11 1 1 A 85 85 PHE H H 85 8.812 9.110 -0.298 1
1 932 . 11 1 1 A 85 85 PHE HA H 85 5.510 5.263 0.247 1
1 940 . 11 1 1 A 85 85 PHE C C 85 171.610 175.378 -3.768 1
1 941 . 11 1 1 A 85 85 PHE CA C 85 55.360 55.699 -0.339 1
1 942 . 11 1 1 A 85 85 PHE CB C 85 41.424 43.024 -1.600 1
1 948 . 11 1 1 A 85 85 PHE N N 85 122.454 124.831 -2.377 1
1 949 . 11 1 1 A 86 86 ILE H H 86 9.406 8.731 0.675 1
1 950 . 11 1 1 A 86 86 ILE HA H 86 4.844 5.174 -0.330 1
1 960 . 11 1 1 A 86 86 ILE C C 86 175.559 174.639 0.920 1
1 961 . 11 1 1 A 86 86 ILE CA C 86 60.323 60.501 -0.178 1
1 962 . 11 1 1 A 86 86 ILE CB C 86 42.374 42.643 -0.269 1
1 966 . 11 1 1 A 86 86 ILE N N 86 120.483 120.288 0.195 1
1 967 . 11 1 1 A 87 87 LEU H H 87 9.450 9.328 0.122 1
1 968 . 11 1 1 A 87 87 LEU HA H 87 5.238 5.490 -0.252 1
1 978 . 11 1 1 A 87 87 LEU C C 87 175.145 175.939 -0.794 1
1 979 . 11 1 1 A 87 87 LEU CA C 87 52.778 53.761 -0.983 1
1 980 . 11 1 1 A 87 87 LEU CB C 87 40.657 43.318 -2.661 1
1 984 . 11 1 1 A 87 87 LEU N N 87 126.149 127.883 -1.734 1
1 985 . 11 1 1 A 88 88 GLU H H 88 9.120 9.154 -0.034 1
1 986 . 11 1 1 A 88 88 GLU HA H 88 4.986 4.979 0.007 1
1 991 . 11 1 1 A 88 88 GLU CA C 88 52.677 52.602 0.075 1
1 992 . 11 1 1 A 88 88 GLU CB C 88 31.511 30.747 0.764 1
1 994 . 11 1 1 A 88 88 GLU N N 88 126.028 124.576 1.452 1
1 995 . 11 1 1 A 89 89 PRO HA H 89 4.239 3.993 0.246 1
1 1002 . 11 1 1 A 89 89 PRO C C 89 177.398 177.155 0.243 1
1 1003 . 11 1 1 A 89 89 PRO CA C 89 63.214 62.767 0.447 1
1 1004 . 11 1 1 A 89 89 PRO CB C 89 32.855 31.429 1.426 1
1 1007 . 11 1 1 A 90 90 LYS H H 90 8.166 8.614 -0.448 1
1 1008 . 11 1 1 A 90 90 LYS HA H 90 4.041 4.330 -0.289 1
1 1017 . 11 1 1 A 90 90 LYS C C 90 177.384 177.087 0.297 1
1 1018 . 11 1 1 A 90 90 LYS CA C 90 58.404 57.103 1.301 1
1 1019 . 11 1 1 A 90 90 LYS CB C 90 33.133 31.938 1.195 1
1 1023 . 11 1 1 A 90 90 LYS N N 90 121.350 122.573 -1.223 1
1 1024 . 11 1 1 A 91 91 GLN H H 91 8.252 7.702 0.550 1
1 1025 . 11 1 1 A 91 91 GLN HA H 91 4.423 4.132 0.291 1
1 1032 . 11 1 1 A 91 91 GLN C C 91 175.039 176.894 -1.855 1
1 1033 . 11 1 1 A 91 91 GLN CA C 91 54.303 58.037 -3.734 1
1 1034 . 11 1 1 A 91 91 GLN CB C 91 29.208 28.959 0.249 1
1 1036 . 11 1 1 A 91 91 GLN N N 91 118.759 119.572 -0.813 1
1 1038 . 11 1 1 A 92 92 GLN H H 92 8.460 7.644 0.816 1
1 1039 . 11 1 1 A 92 92 GLN HA H 92 4.057 4.447 -0.390 1
1 1044 . 11 1 1 A 92 92 GLN C C 92 177.080 176.135 0.945 1
1 1045 . 11 1 1 A 92 92 GLN CA C 92 57.446 55.022 2.424 1
1 1046 . 11 1 1 A 92 92 GLN CB C 92 28.472 29.968 -1.496 1
1 1048 . 11 1 1 A 92 92 GLN N N 92 124.928 115.687 9.241 1
1 1049 . 11 1 1 A 93 93 GLY H H 93 8.870 8.046 0.824 1
1 1050 . 11 1 1 A 93 93 GLY HA2 H 93 3.639 4.006 -0.367 1
1 1051 . 11 1 1 A 93 93 GLY HA3 H 93 4.338 4.007 0.331 1
1 1052 . 11 1 1 A 93 93 GLY C C 93 174.298 174.613 -0.315 1
1 1053 . 11 1 1 A 93 93 GLY CA C 93 45.336 45.176 0.160 1
1 1054 . 11 1 1 A 93 93 GLY N N 93 113.393 107.010 6.383 1
1 1055 . 11 1 1 A 94 94 ASP H H 94 7.546 8.009 -0.463 1
1 1056 . 11 1 1 A 94 94 ASP HA H 94 5.056 4.638 0.418 1
1 1059 . 11 1 1 A 94 94 ASP CA C 94 52.662 53.071 -0.409 1
1 1060 . 11 1 1 A 94 94 ASP CB C 94 40.179 40.426 -0.247 1
1 1061 . 11 1 1 A 94 94 ASP N N 94 123.111 120.804 2.307 1
1 1062 . 11 1 1 A 95 95 PRO HA H 95 4.933 4.618 0.315 1
1 1069 . 11 1 1 A 95 95 PRO CA C 95 61.243 62.055 -0.812 1
1 1070 . 11 1 1 A 95 95 PRO CB C 95 31.234 31.838 -0.604 1
1 1073 . 11 1 1 A 96 96 PRO HA H 96 5.190 5.016 0.174 1
1 1080 . 11 1 1 A 96 96 PRO C C 96 176.664 175.732 0.932 1
1 1081 . 11 1 1 A 96 96 PRO CA C 96 62.399 62.463 -0.064 1
1 1082 . 11 1 1 A 96 96 PRO CB C 96 32.850 32.962 -0.112 1
1 1085 . 11 1 1 A 97 97 VAL H H 97 8.448 8.273 0.175 1
1 1086 . 11 1 1 A 97 97 VAL HA H 97 4.145 4.762 -0.617 1
1 1094 . 11 1 1 A 97 97 VAL C C 97 174.020 175.015 -0.995 1
1 1095 . 11 1 1 A 97 97 VAL CA C 97 61.710 60.608 1.102 1
1 1096 . 11 1 1 A 97 97 VAL CB C 97 33.977 35.583 -1.606 1
1 1099 . 11 1 1 A 97 97 VAL N N 97 121.904 119.376 2.528 1
1 1100 . 11 1 1 A 98 98 GLU H H 98 8.599 8.741 -0.142 1
1 1101 . 11 1 1 A 98 98 GLU HA H 98 4.778 5.396 -0.618 1
1 1106 . 11 1 1 A 98 98 GLU C C 98 173.807 175.702 -1.895 1
1 1107 . 11 1 1 A 98 98 GLU CA C 98 55.674 55.151 0.523 1
1 1108 . 11 1 1 A 98 98 GLU CB C 98 30.827 32.912 -2.085 1
1 1110 . 11 1 1 A 98 98 GLU N N 98 126.577 126.057 0.520 1
1 1111 . 11 1 1 A 99 99 PHE H H 99 8.701 9.382 -0.681 1
1 1112 . 11 1 1 A 99 99 PHE HA H 99 5.773 5.885 -0.112 1
1 1120 . 11 1 1 A 99 99 PHE C C 99 174.648 174.874 -0.226 1
1 1121 . 11 1 1 A 99 99 PHE CA C 99 55.799 57.047 -1.248 1
1 1122 . 11 1 1 A 99 99 PHE CB C 99 44.025 44.213 -0.188 1
1 1128 . 11 1 1 A 99 99 PHE N N 99 120.755 120.627 0.128 1
1 1129 . 11 1 1 A 100 100 ALA H H 100 8.737 8.668 0.069 1
1 1130 . 11 1 1 A 100 100 ALA HA H 100 5.669 5.250 0.419 1
1 1134 . 11 1 1 A 100 100 ALA C C 100 176.491 176.295 0.196 1
1 1135 . 11 1 1 A 100 100 ALA CA C 100 49.850 51.666 -1.816 1
1 1136 . 11 1 1 A 100 100 ALA CB C 100 23.399 23.018 0.381 1
1 1137 . 11 1 1 A 100 100 ALA N N 100 118.211 122.145 -3.934 1
1 1138 . 11 1 1 A 101 101 THR H H 101 8.272 8.810 -0.538 1
1 1139 . 11 1 1 A 101 101 THR HA H 101 5.232 5.021 0.211 1
1 1144 . 11 1 1 A 101 101 THR C C 101 174.787 173.935 0.852 1
1 1145 . 11 1 1 A 101 101 THR CA C 101 59.068 60.319 -1.251 1
1 1146 . 11 1 1 A 101 101 THR CB C 101 70.089 71.678 -1.589 1
1 1148 . 11 1 1 A 101 101 THR N N 101 108.062 109.767 -1.705 1
1 1149 . 11 1 1 A 102 102 ASP H H 102 8.625 8.727 -0.102 1
1 1150 . 11 1 1 A 102 102 ASP HA H 102 5.009 4.808 0.201 1
1 1153 . 11 1 1 A 102 102 ASP C C 102 177.730 175.745 1.985 1
1 1154 . 11 1 1 A 102 102 ASP CA C 102 56.976 53.708 3.268 1
1 1155 . 11 1 1 A 102 102 ASP CB C 102 42.543 42.462 0.081 1
1 1156 . 11 1 1 A 102 102 ASP N N 102 118.482 119.451 -0.969 1
1 1157 . 11 1 1 A 103 103 ARG H H 103 8.208 7.638 0.570 1
1 1158 . 11 1 1 A 103 103 ARG HA H 103 4.772 4.822 -0.050 1
1 1165 . 11 1 1 A 103 103 ARG C C 103 178.000 176.459 1.541 1
1 1166 . 11 1 1 A 103 103 ARG CA C 103 54.079 53.992 0.087 1
1 1167 . 11 1 1 A 103 103 ARG CB C 103 33.914 33.847 0.067 1
1 1170 . 11 1 1 A 103 103 ARG N N 103 116.043 119.190 -3.147 1
1 1171 . 11 1 1 A 104 104 VAL H H 104 8.516 8.520 -0.004 1
1 1172 . 11 1 1 A 104 104 VAL HA H 104 2.857 3.665 -0.808 1
1 1180 . 11 1 1 A 104 104 VAL C C 104 176.158 177.788 -1.630 1
1 1181 . 11 1 1 A 104 104 VAL CA C 104 64.625 64.453 0.172 1
1 1182 . 11 1 1 A 104 104 VAL CB C 104 30.883 31.452 -0.569 1
1 1185 . 11 1 1 A 104 104 VAL N N 104 128.496 122.941 5.555 1
1 1186 . 11 1 1 A 105 105 GLU H H 105 9.414 8.134 1.280 1
1 1187 . 11 1 1 A 105 105 GLU HA H 105 3.989 4.084 -0.095 1
1 1192 . 11 1 1 A 105 105 GLU C C 105 179.982 179.591 0.391 1
1 1193 . 11 1 1 A 105 105 GLU CA C 105 60.599 59.676 0.923 1
1 1194 . 11 1 1 A 105 105 GLU CB C 105 27.973 29.421 -1.448 1
1 1196 . 11 1 1 A 105 105 GLU N N 105 121.934 122.348 -0.414 1
1 1197 . 11 1 1 A 106 106 GLU H H 106 6.769 8.275 -1.506 1
1 1198 . 11 1 1 A 106 106 GLU HA H 106 4.370 4.101 0.269 1
1 1203 . 11 1 1 A 106 106 GLU C C 106 178.312 179.216 -0.904 1
1 1204 . 11 1 1 A 106 106 GLU CA C 106 58.503 59.166 -0.663 1
1 1205 . 11 1 1 A 106 106 GLU CB C 106 30.657 29.371 1.286 1
1 1207 . 11 1 1 A 106 106 GLU N N 106 116.721 120.434 -3.713 1
1 1208 . 11 1 1 A 107 107 LEU H H 107 7.161 7.996 -0.835 1
1 1209 . 11 1 1 A 107 107 LEU HA H 107 4.040 4.177 -0.137 1
1 1219 . 11 1 1 A 107 107 LEU C C 107 177.985 178.235 -0.250 1
1 1220 . 11 1 1 A 107 107 LEU CA C 107 58.930 58.109 0.821 1
1 1221 . 11 1 1 A 107 107 LEU CB C 107 40.058 42.091 -2.033 1
1 1225 . 11 1 1 A 107 107 LEU N N 107 122.171 122.704 -0.533 1
1 1226 . 11 1 1 A 108 108 PHE H H 108 7.986 8.340 -0.354 1
1 1227 . 11 1 1 A 108 108 PHE HA H 108 4.199 4.066 0.133 1
1 1234 . 11 1 1 A 108 108 PHE C C 108 178.069 177.831 0.238 1
1 1235 . 11 1 1 A 108 108 PHE CA C 108 61.167 60.968 0.199 1
1 1236 . 11 1 1 A 108 108 PHE CB C 108 38.208 38.490 -0.282 1
1 1241 . 11 1 1 A 108 108 PHE N N 108 116.696 119.251 -2.555 1
1 1242 . 11 1 1 A 109 109 GLU H H 109 7.719 8.497 -0.778 1
1 1243 . 11 1 1 A 109 109 GLU HA H 109 3.951 4.041 -0.090 1
1 1248 . 11 1 1 A 109 109 GLU C C 109 179.858 179.164 0.694 1
1 1249 . 11 1 1 A 109 109 GLU CA C 109 59.664 59.163 0.501 1
1 1250 . 11 1 1 A 109 109 GLU CB C 109 29.923 29.123 0.800 1
1 1252 . 11 1 1 A 109 109 GLU N N 109 119.214 119.694 -0.480 1
1 1253 . 11 1 1 A 110 110 TRP H H 110 8.445 7.826 0.619 1
1 1254 . 11 1 1 A 110 110 TRP HA H 110 3.634 4.226 -0.592 1
1 1263 . 11 1 1 A 110 110 TRP C C 110 177.691 178.883 -1.192 1
1 1264 . 11 1 1 A 110 110 TRP CA C 110 62.078 60.300 1.778 1
1 1265 . 11 1 1 A 110 110 TRP CB C 110 29.275 28.838 0.437 1
1 1271 . 11 1 1 A 110 110 TRP N N 110 120.045 120.697 -0.652 1
1 1273 . 11 1 1 A 111 111 PHE H H 111 8.668 7.901 0.767 1
1 1274 . 11 1 1 A 111 111 PHE HA H 111 3.436 4.008 -0.572 1
1 1282 . 11 1 1 A 111 111 PHE C C 111 176.547 177.690 -1.143 1
1 1283 . 11 1 1 A 111 111 PHE CA C 111 62.182 61.272 0.910 1
1 1284 . 11 1 1 A 111 111 PHE CB C 111 39.904 37.123 2.781 1
1 1290 . 11 1 1 A 111 111 PHE N N 111 117.907 117.575 0.332 1
1 1291 . 11 1 1 A 112 112 GLN H H 112 8.254 7.995 0.259 1
1 1292 . 11 1 1 A 112 112 GLN HA H 112 3.685 3.821 -0.136 1
1 1299 . 11 1 1 A 112 112 GLN C C 112 178.503 177.982 0.521 1
1 1300 . 11 1 1 A 112 112 GLN CA C 112 58.624 58.689 -0.065 1
1 1301 . 11 1 1 A 112 112 GLN CB C 112 27.980 28.385 -0.405 1
1 1303 . 11 1 1 A 112 112 GLN N N 112 116.394 121.189 -4.795 1
1 1305 . 11 1 1 A 113 113 SER H H 113 7.741 7.305 0.436 1
1 1306 . 11 1 1 A 113 113 SER HA H 113 4.036 4.489 -0.453 1
1 1309 . 11 1 1 A 113 113 SER C C 113 176.428 177.472 -1.044 1
1 1310 . 11 1 1 A 113 113 SER CA C 113 62.062 61.413 0.649 1
1 1311 . 11 1 1 A 113 113 SER CB C 113 62.655 62.849 -0.194 1
1 1312 . 11 1 1 A 113 113 SER N N 113 114.734 114.462 0.272 1
1 1313 . 11 1 1 A 114 114 ILE H H 114 7.915 7.823 0.092 1
1 1314 . 11 1 1 A 114 114 ILE HA H 114 3.559 3.639 -0.080 1
1 1324 . 11 1 1 A 114 114 ILE C C 114 178.594 178.309 0.285 1
1 1325 . 11 1 1 A 114 114 ILE CA C 114 65.364 65.182 0.182 1
1 1326 . 11 1 1 A 114 114 ILE CB C 114 38.395 37.427 0.968 1
1 1330 . 11 1 1 A 114 114 ILE N N 114 119.893 121.246 -1.353 1
1 1331 . 11 1 1 A 115 115 ARG H H 115 8.581 7.925 0.656 1
1 1332 . 11 1 1 A 115 115 ARG HA H 115 3.881 4.160 -0.279 1
1 1339 . 11 1 1 A 115 115 ARG C C 115 177.921 179.231 -1.310 1
1 1340 . 11 1 1 A 115 115 ARG CA C 115 58.689 59.498 -0.809 1
1 1341 . 11 1 1 A 115 115 ARG CB C 115 29.134 29.753 -0.619 1
1 1344 . 11 1 1 A 115 115 ARG N N 115 123.090 120.921 2.169 1
1 1345 . 11 1 1 A 116 116 GLU H H 116 7.653 7.985 -0.332 1
1 1346 . 11 1 1 A 116 116 GLU HA H 116 3.959 4.094 -0.135 1
1 1351 . 11 1 1 A 116 116 GLU C C 116 178.178 177.921 0.257 1
1 1352 . 11 1 1 A 116 116 GLU CA C 116 58.767 58.867 -0.100 1
1 1353 . 11 1 1 A 116 116 GLU CB C 116 29.501 29.432 0.069 1
1 1355 . 11 1 1 A 116 116 GLU N N 116 116.356 119.378 -3.022 1
1 1356 . 11 1 1 A 117 117 ILE H H 117 7.334 7.630 -0.296 1
1 1357 . 11 1 1 A 117 117 ILE HA H 117 3.909 3.940 -0.031 1
1 1367 . 11 1 1 A 117 117 ILE C C 117 177.733 178.190 -0.457 1
1 1368 . 11 1 1 A 117 117 ILE CA C 117 63.443 63.299 0.144 1
1 1369 . 11 1 1 A 117 117 ILE CB C 117 39.059 38.798 0.261 1
1 1373 . 11 1 1 A 117 117 ILE N N 117 117.514 119.520 -2.006 1
1 1374 . 11 1 1 A 118 118 THR H H 118 8.075 7.977 0.098 1
1 1375 . 11 1 1 A 118 118 THR HA H 118 4.367 4.282 0.085 1
1 1380 . 11 1 1 A 118 118 THR C C 118 176.050 176.386 -0.336 1
1 1381 . 11 1 1 A 118 118 THR CA C 118 63.494 65.664 -2.170 1
1 1382 . 11 1 1 A 118 118 THR CB C 118 70.326 69.847 0.479 1
1 1384 . 11 1 1 A 118 118 THR N N 118 109.879 115.156 -5.277 1
1 1385 . 11 1 1 A 119 119 TRP H H 119 8.283 8.371 -0.088 1
1 1386 . 11 1 1 A 119 119 TRP HA H 119 4.792 4.204 0.588 1
1 1395 . 11 1 1 A 119 119 TRP C C 119 175.855 175.837 0.018 1
1 1396 . 11 1 1 A 119 119 TRP CA C 119 57.464 60.524 -3.060 1
1 1397 . 11 1 1 A 119 119 TRP CB C 119 29.488 29.905 -0.417 1
1 1403 . 11 1 1 A 119 119 TRP N N 119 124.034 123.114 0.920 1
1 1405 . 11 1 1 A 120 120 LYS H H 120 7.723 7.767 -0.044 1
1 1406 . 11 1 1 A 120 120 LYS HA H 120 4.198 4.739 -0.541 1
1 1415 . 11 1 1 A 120 120 LYS C C 120 176.162 175.009 1.153 1
1 1416 . 11 1 1 A 120 120 LYS CA C 120 56.049 55.066 0.983 1
1 1417 . 11 1 1 A 120 120 LYS CB C 120 32.924 35.064 -2.140 1
1 1421 . 11 1 1 A 120 120 LYS N N 120 123.166 119.282 3.884 1
1 1422 . 11 1 1 A 121 121 ILE H H 121 7.874 8.744 -0.870 1
1 1423 . 11 1 1 A 121 121 ILE HA H 121 4.035 4.684 -0.649 1
1 1433 . 11 1 1 A 121 121 ILE C C 121 175.950 174.038 1.912 1
1 1434 . 11 1 1 A 121 121 ILE CA C 121 61.120 60.573 0.547 1
1 1435 . 11 1 1 A 121 121 ILE CB C 121 38.708 39.534 -0.826 1
1 1439 . 11 1 1 A 121 121 ILE N N 121 121.301 125.588 -4.287 1
1 1440 . 11 1 1 A 122 122 ASP H H 122 8.317 8.860 -0.543 1
1 1441 . 11 1 1 A 122 122 ASP HA H 122 4.677 5.051 -0.374 1
1 1444 . 11 1 1 A 122 122 ASP C C 122 176.278 175.213 1.065 1
1 1445 . 11 1 1 A 122 122 ASP CA C 122 54.157 52.864 1.293 1
1 1446 . 11 1 1 A 122 122 ASP CB C 122 41.316 43.057 -1.741 1
1 1447 . 11 1 1 A 122 122 ASP N N 122 124.058 127.983 -3.925 1
1 1448 . 11 1 1 A 123 123 THR H H 123 8.003 8.299 -0.296 1
1 1449 . 11 1 1 A 123 123 THR HA H 123 4.307 4.209 0.098 1
1 1454 . 11 1 1 A 123 123 THR C C 123 173.831 174.232 -0.401 1
1 1455 . 11 1 1 A 123 123 THR CA C 123 61.715 61.835 -0.120 1
1 1456 . 11 1 1 A 123 123 THR CB C 123 69.736 68.858 0.878 1
1 1458 . 11 1 1 A 123 123 THR N N 123 114.853 116.274 -1.421 1
1 2 . 12 1 1 A 9 9 LYS H H 9 8.338 7.585 0.753 1
1 3 . 12 1 1 A 9 9 LYS C C 9 176.402 176.808 -0.406 1
1 4 . 12 1 1 A 9 9 LYS N N 9 122.857 120.147 2.710 1
1 5 . 12 1 1 A 10 10 ASP H H 10 8.335 8.963 -0.628 1
1 6 . 12 1 1 A 10 10 ASP HA H 10 4.562 4.915 -0.353 1
1 9 . 12 1 1 A 10 10 ASP C C 10 176.123 175.690 0.433 1
1 10 . 12 1 1 A 10 10 ASP CA C 10 54.344 52.786 1.558 1
1 11 . 12 1 1 A 10 10 ASP CB C 10 41.227 41.636 -0.409 1
1 12 . 12 1 1 A 10 10 ASP N N 10 121.507 118.230 3.277 1
1 13 . 12 1 1 A 11 11 GLU H H 11 8.231 7.994 0.237 1
1 14 . 12 1 1 A 11 11 GLU HA H 11 4.222 4.173 0.049 1
1 19 . 12 1 1 A 11 11 GLU CA C 11 56.356 57.095 -0.739 1
1 20 . 12 1 1 A 11 11 GLU CB C 11 30.439 28.612 1.827 1
1 22 . 12 1 1 A 11 11 GLU N N 11 121.321 114.816 6.505 1
1 23 . 12 1 1 A 12 12 HIS H H 12 8.431 8.097 0.334 1
1 24 . 12 1 1 A 12 12 HIS HA H 12 4.618 4.899 -0.281 1
1 28 . 12 1 1 A 12 12 HIS C C 12 174.980 173.035 1.945 1
1 29 . 12 1 1 A 12 12 HIS CA C 12 55.952 55.131 0.821 1
1 30 . 12 1 1 A 12 12 HIS CB C 12 30.058 33.157 -3.099 1
1 32 . 12 1 1 A 12 12 HIS N N 12 120.447 122.854 -2.407 1
1 33 . 12 1 1 A 13 13 LYS H H 13 8.191 8.525 -0.334 1
1 34 . 12 1 1 A 13 13 LYS HA H 13 4.355 4.607 -0.252 1
1 43 . 12 1 1 A 13 13 LYS C C 13 175.327 174.324 1.003 1
1 44 . 12 1 1 A 13 13 LYS CA C 13 55.620 54.249 1.371 1
1 45 . 12 1 1 A 13 13 LYS CB C 13 33.729 35.270 -1.541 1
1 49 . 12 1 1 A 13 13 LYS N N 13 124.365 125.978 -1.613 1
1 50 . 12 1 1 A 14 14 GLN H H 14 8.229 8.628 -0.399 1
1 51 . 12 1 1 A 14 14 GLN HA H 14 4.037 4.530 -0.493 1
1 58 . 12 1 1 A 14 14 GLN C C 14 173.432 174.712 -1.280 1
1 59 . 12 1 1 A 14 14 GLN CA C 14 54.613 54.426 0.187 1
1 60 . 12 1 1 A 14 14 GLN CB C 14 29.096 30.078 -0.982 1
1 62 . 12 1 1 A 14 14 GLN N N 14 123.823 123.878 -0.055 1
1 64 . 12 1 1 A 15 15 GLN H H 15 7.896 8.449 -0.553 1
1 65 . 12 1 1 A 15 15 GLN HA H 15 5.459 5.280 0.179 1
1 70 . 12 1 1 A 15 15 GLN C C 15 174.263 175.441 -1.178 1
1 71 . 12 1 1 A 15 15 GLN CA C 15 54.506 54.401 0.105 1
1 72 . 12 1 1 A 15 15 GLN CB C 15 31.418 32.414 -0.996 1
1 74 . 12 1 1 A 15 15 GLN N N 15 121.452 125.894 -4.442 1
1 75 . 12 1 1 A 16 16 GLY H H 16 8.795 8.423 0.372 1
1 76 . 12 1 1 A 16 16 GLY HA2 H 16 4.056 4.162 -0.106 1
1 77 . 12 1 1 A 16 16 GLY HA3 H 16 4.801 4.425 0.376 1
1 78 . 12 1 1 A 16 16 GLY C C 16 171.456 171.418 0.038 1
1 79 . 12 1 1 A 16 16 GLY CA C 16 44.773 46.300 -1.527 1
1 80 . 12 1 1 A 16 16 GLY N N 16 107.937 109.441 -1.504 1
1 81 . 12 1 1 A 17 17 GLU H H 17 8.718 8.488 0.230 1
1 82 . 12 1 1 A 17 17 GLU HA H 17 5.220 4.959 0.261 1
1 87 . 12 1 1 A 17 17 GLU C C 17 176.562 174.498 2.064 1
1 88 . 12 1 1 A 17 17 GLU CA C 17 55.880 54.444 1.436 1
1 89 . 12 1 1 A 17 17 GLU CB C 17 30.995 33.840 -2.845 1
1 91 . 12 1 1 A 17 17 GLU N N 17 119.686 121.375 -1.689 1
1 92 . 12 1 1 A 18 18 LEU H H 18 8.806 8.028 0.778 1
1 93 . 12 1 1 A 18 18 LEU HA H 18 4.652 4.347 0.305 1
1 103 . 12 1 1 A 18 18 LEU C C 18 176.851 173.692 3.159 1
1 104 . 12 1 1 A 18 18 LEU CA C 18 53.786 52.714 1.072 1
1 105 . 12 1 1 A 18 18 LEU CB C 18 47.961 43.752 4.209 1
1 109 . 12 1 1 A 18 18 LEU N N 18 122.158 122.283 -0.125 1
1 110 . 12 1 1 A 19 19 TYR H H 19 8.833 8.338 0.495 1
1 111 . 12 1 1 A 19 19 TYR HA H 19 5.837 5.231 0.606 1
1 118 . 12 1 1 A 19 19 TYR C C 19 176.038 175.267 0.771 1
1 119 . 12 1 1 A 19 19 TYR CA C 19 56.750 56.601 0.149 1
1 120 . 12 1 1 A 19 19 TYR CB C 19 40.531 42.662 -2.131 1
1 125 . 12 1 1 A 19 19 TYR N N 19 117.278 118.754 -1.476 1
1 126 . 12 1 1 A 20 20 MET H H 20 9.743 9.264 0.479 1
1 127 . 12 1 1 A 20 20 MET HA H 20 5.207 5.240 -0.033 1
1 135 . 12 1 1 A 20 20 MET C C 20 175.349 174.057 1.292 1
1 136 . 12 1 1 A 20 20 MET CA C 20 54.611 54.261 0.350 1
1 137 . 12 1 1 A 20 20 MET CB C 20 37.352 36.461 0.891 1
1 140 . 12 1 1 A 20 20 MET N N 20 120.128 120.498 -0.370 1
1 141 . 12 1 1 A 21 21 TRP H H 21 8.142 8.314 -0.172 1
1 142 . 12 1 1 A 21 21 TRP HA H 21 4.084 3.892 0.192 1
1 150 . 12 1 1 A 21 21 TRP C C 21 174.752 174.374 0.378 1
1 151 . 12 1 1 A 21 21 TRP CA C 21 56.246 56.917 -0.671 1
1 152 . 12 1 1 A 21 21 TRP CB C 21 29.682 29.831 -0.149 1
1 157 . 12 1 1 A 21 21 TRP N N 21 126.799 124.429 2.370 1
1 159 . 12 1 1 A 22 22 ASP H H 22 8.034 7.297 0.737 1
1 160 . 12 1 1 A 22 22 ASP HA H 22 4.417 4.538 -0.121 1
1 163 . 12 1 1 A 22 22 ASP C C 22 175.814 175.805 0.009 1
1 164 . 12 1 1 A 22 22 ASP CA C 22 52.020 52.309 -0.289 1
1 165 . 12 1 1 A 22 22 ASP CB C 22 41.748 41.387 0.361 1
1 166 . 12 1 1 A 22 22 ASP N N 22 129.313 126.640 2.673 1
1 167 . 12 1 1 A 23 23 SER H H 23 8.331 8.336 -0.005 1
1 168 . 12 1 1 A 23 23 SER HA H 23 3.719 3.902 -0.183 1
1 171 . 12 1 1 A 23 23 SER C C 23 175.145 176.333 -1.188 1
1 172 . 12 1 1 A 23 23 SER CA C 23 59.732 60.533 -0.801 1
1 173 . 12 1 1 A 23 23 SER CB C 23 63.304 62.828 0.476 1
1 174 . 12 1 1 A 23 23 SER N N 23 119.796 118.313 1.483 1
1 175 . 12 1 1 A 24 24 ILE H H 24 8.044 7.439 0.605 1
1 176 . 12 1 1 A 24 24 ILE HA H 24 3.849 3.584 0.265 1
1 186 . 12 1 1 A 24 24 ILE C C 24 177.615 177.063 0.552 1
1 187 . 12 1 1 A 24 24 ILE CA C 24 63.257 65.176 -1.919 1
1 188 . 12 1 1 A 24 24 ILE CB C 24 36.400 38.262 -1.862 1
1 192 . 12 1 1 A 24 24 ILE N N 24 124.085 122.215 1.870 1
1 193 . 12 1 1 A 25 25 ASP H H 25 7.641 7.665 -0.024 1
1 194 . 12 1 1 A 25 25 ASP HA H 25 4.492 4.634 -0.142 1
1 197 . 12 1 1 A 25 25 ASP C C 25 175.486 175.050 0.436 1
1 198 . 12 1 1 A 25 25 ASP CA C 25 54.313 53.395 0.918 1
1 199 . 12 1 1 A 25 25 ASP CB C 25 40.789 41.699 -0.910 1
1 200 . 12 1 1 A 25 25 ASP N N 25 118.371 118.193 0.178 1
1 201 . 12 1 1 A 26 26 GLN H H 26 7.340 7.521 -0.181 1
1 202 . 12 1 1 A 26 26 GLN HA H 26 2.828 3.431 -0.603 1
1 209 . 12 1 1 A 26 26 GLN C C 26 173.882 174.503 -0.621 1
1 210 . 12 1 1 A 26 26 GLN CA C 26 55.956 56.606 -0.650 1
1 211 . 12 1 1 A 26 26 GLN CB C 26 25.070 26.673 -1.603 1
1 213 . 12 1 1 A 26 26 GLN N N 26 116.358 116.072 0.286 1
1 215 . 12 1 1 A 27 27 LYS H H 27 6.283 6.581 -0.298 1
1 216 . 12 1 1 A 27 27 LYS HA H 27 4.395 4.888 -0.493 1
1 225 . 12 1 1 A 27 27 LYS C C 27 173.510 174.102 -0.592 1
1 226 . 12 1 1 A 27 27 LYS CA C 27 54.164 55.020 -0.856 1
1 227 . 12 1 1 A 27 27 LYS CB C 27 35.825 34.459 1.366 1
1 231 . 12 1 1 A 27 27 LYS N N 27 114.611 113.696 0.915 1
1 232 . 12 1 1 A 28 28 TRP H H 28 8.751 8.785 -0.034 1
1 233 . 12 1 1 A 28 28 TRP HA H 28 5.383 5.497 -0.114 1
1 242 . 12 1 1 A 28 28 TRP C C 28 177.411 176.068 1.343 1
1 243 . 12 1 1 A 28 28 TRP CA C 28 55.957 55.382 0.575 1
1 244 . 12 1 1 A 28 28 TRP CB C 28 30.752 31.343 -0.591 1
1 250 . 12 1 1 A 28 28 TRP N N 28 121.520 119.275 2.245 1
1 252 . 12 1 1 A 29 29 THR H H 29 9.413 8.659 0.754 1
1 253 . 12 1 1 A 29 29 THR HA H 29 4.852 5.248 -0.396 1
1 258 . 12 1 1 A 29 29 THR C C 29 173.520 172.986 0.534 1
1 259 . 12 1 1 A 29 29 THR CA C 29 60.308 59.723 0.585 1
1 260 . 12 1 1 A 29 29 THR CB C 29 69.736 71.387 -1.651 1
1 262 . 12 1 1 A 29 29 THR N N 29 117.059 114.160 2.899 1
1 263 . 12 1 1 A 30 30 ARG H H 30 9.117 8.900 0.217 1
1 264 . 12 1 1 A 30 30 ARG HA H 30 4.790 4.348 0.442 1
1 272 . 12 1 1 A 30 30 ARG C C 30 174.447 175.791 -1.344 1
1 273 . 12 1 1 A 30 30 ARG CA C 30 55.949 55.208 0.741 1
1 274 . 12 1 1 A 30 30 ARG CB C 30 33.388 30.947 2.441 1
1 277 . 12 1 1 A 30 30 ARG N N 30 126.027 123.381 2.646 1
1 278 . 12 1 1 A 31 31 HIS H H 31 9.011 8.044 0.967 1
1 279 . 12 1 1 A 31 31 HIS HA H 31 4.636 5.709 -1.073 1
1 282 . 12 1 1 A 31 31 HIS C C 31 173.947 172.435 1.512 1
1 283 . 12 1 1 A 31 31 HIS CA C 31 55.185 53.407 1.778 1
1 284 . 12 1 1 A 31 31 HIS CB C 31 33.332 32.946 0.386 1
1 285 . 12 1 1 A 31 31 HIS N N 31 121.017 122.344 -1.327 1
1 286 . 12 1 1 A 32 32 TYR H H 32 9.361 8.587 0.774 1
1 287 . 12 1 1 A 32 32 TYR HA H 32 4.745 4.553 0.192 1
1 294 . 12 1 1 A 32 32 TYR C C 32 176.298 175.069 1.229 1
1 295 . 12 1 1 A 32 32 TYR CA C 32 59.316 56.990 2.326 1
1 296 . 12 1 1 A 32 32 TYR CB C 32 39.341 38.608 0.733 1
1 301 . 12 1 1 A 32 32 TYR N N 32 124.440 123.215 1.225 1
1 302 . 12 1 1 A 33 33 CYS H H 33 8.750 8.212 0.538 1
1 303 . 12 1 1 A 33 33 CYS HA H 33 5.857 4.999 0.858 1
1 306 . 12 1 1 A 33 33 CYS C C 33 172.735 174.038 -1.303 1
1 307 . 12 1 1 A 33 33 CYS CA C 33 57.108 58.059 -0.951 1
1 308 . 12 1 1 A 33 33 CYS CB C 33 32.779 29.203 3.576 1
1 309 . 12 1 1 A 33 33 CYS N N 33 127.462 126.483 0.979 1
1 310 . 12 1 1 A 34 34 ALA H H 34 8.565 8.939 -0.374 1
1 311 . 12 1 1 A 34 34 ALA HA H 34 5.290 4.965 0.325 1
1 315 . 12 1 1 A 34 34 ALA C C 34 176.215 175.657 0.558 1
1 316 . 12 1 1 A 34 34 ALA CA C 34 51.773 51.955 -0.182 1
1 317 . 12 1 1 A 34 34 ALA CB C 34 23.139 21.240 1.899 1
1 318 . 12 1 1 A 34 34 ALA N N 34 121.115 122.411 -1.296 1
1 319 . 12 1 1 A 35 35 ILE H H 35 8.413 8.880 -0.467 1
1 320 . 12 1 1 A 35 35 ILE HA H 35 5.275 4.677 0.598 1
1 330 . 12 1 1 A 35 35 ILE C C 35 175.768 175.019 0.749 1
1 331 . 12 1 1 A 35 35 ILE CA C 35 60.105 60.676 -0.571 1
1 332 . 12 1 1 A 35 35 ILE CB C 35 39.737 37.730 2.007 1
1 336 . 12 1 1 A 35 35 ILE N N 35 120.176 123.768 -3.592 1
1 337 . 12 1 1 A 36 36 ALA H H 36 8.666 8.709 -0.043 1
1 338 . 12 1 1 A 36 36 ALA HA H 36 4.581 4.707 -0.126 1
1 342 . 12 1 1 A 36 36 ALA CA C 36 52.028 51.261 0.767 1
1 343 . 12 1 1 A 36 36 ALA CB C 36 21.365 20.493 0.872 1
1 344 . 12 1 1 A 36 36 ALA N N 36 129.732 132.386 -2.654 1
1 345 . 12 1 1 A 37 37 ASP H H 37 9.379 8.947 0.432 1
1 346 . 12 1 1 A 37 37 ASP HA H 37 4.228 4.234 -0.006 1
1 349 . 12 1 1 A 37 37 ASP C C 37 174.579 175.913 -1.334 1
1 350 . 12 1 1 A 37 37 ASP CA C 37 55.822 56.500 -0.678 1
1 351 . 12 1 1 A 37 37 ASP CB C 37 39.784 39.488 0.296 1
1 352 . 12 1 1 A 37 37 ASP N N 37 124.926 119.398 5.528 1
1 353 . 12 1 1 A 38 38 ALA H H 38 8.710 8.330 0.380 1
1 354 . 12 1 1 A 38 38 ALA HA H 38 3.911 4.476 -0.565 1
1 358 . 12 1 1 A 38 38 ALA C C 38 174.866 176.907 -2.041 1
1 359 . 12 1 1 A 38 38 ALA CA C 38 53.040 51.748 1.292 1
1 360 . 12 1 1 A 38 38 ALA CB C 38 17.654 21.585 -3.931 1
1 361 . 12 1 1 A 38 38 ALA N N 38 115.547 124.405 -8.858 1
1 362 . 12 1 1 A 39 39 LYS H H 39 8.054 7.731 0.323 1
1 363 . 12 1 1 A 39 39 LYS HA H 39 5.247 5.073 0.174 1
1 372 . 12 1 1 A 39 39 LYS C C 39 175.201 174.836 0.365 1
1 373 . 12 1 1 A 39 39 LYS CA C 39 54.583 54.753 -0.170 1
1 374 . 12 1 1 A 39 39 LYS CB C 39 34.824 35.297 -0.473 1
1 378 . 12 1 1 A 39 39 LYS N N 39 117.589 117.745 -0.156 1
1 379 . 12 1 1 A 40 40 LEU H H 40 9.090 8.833 0.257 1
1 380 . 12 1 1 A 40 40 LEU HA H 40 5.353 5.136 0.217 1
1 390 . 12 1 1 A 40 40 LEU C C 40 175.382 174.843 0.539 1
1 391 . 12 1 1 A 40 40 LEU CA C 40 53.987 53.601 0.386 1
1 392 . 12 1 1 A 40 40 LEU CB C 40 45.718 44.701 1.017 1
1 396 . 12 1 1 A 40 40 LEU N N 40 126.300 125.400 0.900 1
1 397 . 12 1 1 A 41 41 SER H H 41 9.539 8.889 0.650 1
1 398 . 12 1 1 A 41 41 SER HA H 41 5.493 5.083 0.410 1
1 401 . 12 1 1 A 41 41 SER C C 41 173.435 173.934 -0.499 1
1 402 . 12 1 1 A 41 41 SER CA C 41 56.816 57.973 -1.157 1
1 403 . 12 1 1 A 41 41 SER CB C 41 65.706 63.852 1.854 1
1 404 . 12 1 1 A 41 41 SER N N 41 123.399 124.589 -1.190 1
1 405 . 12 1 1 A 42 42 PHE H H 42 8.344 7.852 0.492 1
1 406 . 12 1 1 A 42 42 PHE HA H 42 5.888 5.539 0.349 1
1 414 . 12 1 1 A 42 42 PHE C C 42 175.198 175.471 -0.273 1
1 415 . 12 1 1 A 42 42 PHE CA C 42 54.335 55.491 -1.156 1
1 416 . 12 1 1 A 42 42 PHE CB C 42 43.360 40.971 2.389 1
1 422 . 12 1 1 A 42 42 PHE N N 42 117.935 123.658 -5.723 1
1 423 . 12 1 1 A 43 43 SER H H 43 8.843 8.734 0.109 1
1 424 . 12 1 1 A 43 43 SER HA H 43 4.918 5.002 -0.084 1
1 427 . 12 1 1 A 43 43 SER C C 43 175.040 174.376 0.664 1
1 428 . 12 1 1 A 43 43 SER CA C 43 58.215 57.543 0.672 1
1 429 . 12 1 1 A 43 43 SER CB C 43 66.789 65.975 0.814 1
1 430 . 12 1 1 A 43 43 SER N N 43 117.280 114.858 2.422 1
1 431 . 12 1 1 A 44 44 ASP H H 44 8.818 8.080 0.738 1
1 432 . 12 1 1 A 44 44 ASP HA H 44 4.909 4.607 0.302 1
1 435 . 12 1 1 A 44 44 ASP C C 44 175.955 175.658 0.297 1
1 436 . 12 1 1 A 44 44 ASP CA C 44 54.815 53.521 1.294 1
1 437 . 12 1 1 A 44 44 ASP CB C 44 41.729 41.445 0.284 1
1 438 . 12 1 1 A 44 44 ASP N N 44 120.846 119.814 1.032 1
1 439 . 12 1 1 A 45 45 ASP H H 45 8.726 8.599 0.127 1
1 440 . 12 1 1 A 45 45 ASP HA H 45 4.273 4.721 -0.448 1
1 443 . 12 1 1 A 45 45 ASP C C 45 177.889 177.525 0.364 1
1 444 . 12 1 1 A 45 45 ASP CA C 45 54.145 55.101 -0.956 1
1 445 . 12 1 1 A 45 45 ASP CB C 45 41.329 41.272 0.057 1
1 446 . 12 1 1 A 45 45 ASP N N 45 120.848 120.068 0.780 1
1 447 . 12 1 1 A 46 46 ILE H H 46 8.369 8.680 -0.311 1
1 448 . 12 1 1 A 46 46 ILE HA H 46 4.079 4.438 -0.359 1
1 458 . 12 1 1 A 46 46 ILE C C 46 177.339 176.571 0.768 1
1 459 . 12 1 1 A 46 46 ILE CA C 46 62.357 60.998 1.359 1
1 460 . 12 1 1 A 46 46 ILE CB C 46 38.708 38.806 -0.098 1
1 464 . 12 1 1 A 46 46 ILE N N 46 123.832 117.971 5.861 1
1 465 . 12 1 1 A 47 47 GLU H H 47 8.577 8.048 0.529 1
1 466 . 12 1 1 A 47 47 GLU HA H 47 4.258 4.526 -0.268 1
1 471 . 12 1 1 A 47 47 GLU C C 47 177.164 176.331 0.833 1
1 472 . 12 1 1 A 47 47 GLU CA C 47 57.249 56.905 0.344 1
1 473 . 12 1 1 A 47 47 GLU CB C 47 29.900 32.012 -2.112 1
1 475 . 12 1 1 A 47 47 GLU N N 47 122.294 119.361 2.933 1
1 476 . 12 1 1 A 48 48 GLN H H 48 7.894 7.955 -0.061 1
1 477 . 12 1 1 A 48 48 GLN HA H 48 4.365 4.495 -0.130 1
1 484 . 12 1 1 A 48 48 GLN C C 48 176.278 175.221 1.057 1
1 485 . 12 1 1 A 48 48 GLN CA C 48 55.830 54.988 0.842 1
1 486 . 12 1 1 A 48 48 GLN CB C 48 29.383 28.851 0.532 1
1 488 . 12 1 1 A 48 48 GLN N N 48 118.968 119.822 -0.854 1
1 490 . 12 1 1 A 49 49 THR H H 49 8.048 7.513 0.535 1
1 491 . 12 1 1 A 49 49 THR HA H 49 4.331 4.298 0.033 1
1 496 . 12 1 1 A 49 49 THR C C 49 174.784 174.512 0.272 1
1 497 . 12 1 1 A 49 49 THR CA C 49 62.135 62.432 -0.297 1
1 498 . 12 1 1 A 49 49 THR CB C 49 69.736 69.148 0.588 1
1 500 . 12 1 1 A 49 49 THR N N 49 114.601 112.719 1.882 1
1 501 . 12 1 1 A 50 50 MET H H 50 8.409 8.952 -0.543 1
1 502 . 12 1 1 A 50 50 MET HA H 50 4.510 5.176 -0.666 1
1 510 . 12 1 1 A 50 50 MET C C 50 176.451 175.650 0.801 1
1 511 . 12 1 1 A 50 50 MET CA C 50 55.601 53.763 1.838 1
1 512 . 12 1 1 A 50 50 MET CB C 50 32.850 33.363 -0.513 1
1 515 . 12 1 1 A 50 50 MET N N 50 122.660 125.597 -2.937 1
1 516 . 12 1 1 A 51 51 GLU H H 51 8.418 8.267 0.151 1
1 517 . 12 1 1 A 51 51 GLU HA H 51 4.272 4.901 -0.629 1
1 522 . 12 1 1 A 51 51 GLU C C 51 176.777 176.248 0.529 1
1 523 . 12 1 1 A 51 51 GLU CA C 51 56.680 54.859 1.821 1
1 524 . 12 1 1 A 51 51 GLU CB C 51 30.262 33.167 -2.905 1
1 526 . 12 1 1 A 51 51 GLU N N 51 121.650 124.016 -2.366 1
1 527 . 12 1 1 A 52 52 GLU H H 52 8.325 8.659 -0.334 1
1 528 . 12 1 1 A 52 52 GLU HA H 52 4.174 4.378 -0.204 1
1 533 . 12 1 1 A 52 52 GLU C C 52 176.178 176.531 -0.353 1
1 534 . 12 1 1 A 52 52 GLU N N 52 120.869 123.704 -2.835 1
1 535 . 12 1 1 A 53 53 ASP H H 53 8.320 7.975 0.345 1
1 536 . 12 1 1 A 53 53 ASP HA H 53 4.527 4.829 -0.302 1
1 539 . 12 1 1 A 53 53 ASP C C 53 175.650 175.820 -0.170 1
1 540 . 12 1 1 A 53 53 ASP CA C 53 54.322 52.898 1.424 1
1 541 . 12 1 1 A 53 53 ASP CB C 53 41.040 41.035 0.005 1
1 542 . 12 1 1 A 53 53 ASP N N 53 119.656 116.776 2.880 1
1 543 . 12 1 1 A 54 54 ASN H H 54 8.134 8.102 0.032 1
1 544 . 12 1 1 A 54 54 ASN HA H 54 4.970 4.351 0.619 1
1 549 . 12 1 1 A 54 54 ASN CA C 54 51.120 53.798 -2.678 1
1 550 . 12 1 1 A 54 54 ASN CB C 54 39.125 37.044 2.081 1
1 551 . 12 1 1 A 54 54 ASN N N 54 118.436 115.613 2.823 1
1 553 . 12 1 1 A 55 55 PRO HA H 55 4.394 4.627 -0.233 1
1 560 . 12 1 1 A 55 55 PRO C C 55 177.514 176.428 1.086 1
1 561 . 12 1 1 A 55 55 PRO CA C 55 63.910 62.188 1.722 1
1 562 . 12 1 1 A 55 55 PRO CB C 55 32.077 33.276 -1.199 1
1 565 . 12 1 1 A 56 56 LEU H H 56 8.181 8.364 -0.183 1
1 566 . 12 1 1 A 56 56 LEU HA H 56 4.268 4.330 -0.062 1
1 576 . 12 1 1 A 56 56 LEU C C 56 178.176 176.423 1.753 1
1 577 . 12 1 1 A 56 56 LEU CA C 56 55.542 55.493 0.049 1
1 578 . 12 1 1 A 56 56 LEU CB C 56 41.783 42.220 -0.437 1
1 582 . 12 1 1 A 56 56 LEU N N 56 120.122 123.052 -2.930 1
1 583 . 12 1 1 A 57 57 GLY H H 57 8.071 8.715 -0.644 1
1 584 . 12 1 1 A 57 57 GLY HA2 H 57 3.946 4.020 -0.074 1
1 585 . 12 1 1 A 57 57 GLY HA3 H 57 3.946 4.021 -0.075 1
1 586 . 12 1 1 A 57 57 GLY C C 57 174.306 174.554 -0.248 1
1 587 . 12 1 1 A 57 57 GLY CA C 57 45.460 45.835 -0.375 1
1 588 . 12 1 1 A 57 57 GLY N N 57 108.437 114.326 -5.889 1
1 589 . 12 1 1 A 58 58 SER H H 58 8.170 7.769 0.401 1
1 590 . 12 1 1 A 58 58 SER HA H 58 4.460 4.280 0.180 1
1 593 . 12 1 1 A 58 58 SER C C 58 174.785 173.956 0.829 1
1 594 . 12 1 1 A 58 58 SER CA C 58 58.319 61.191 -2.872 1
1 595 . 12 1 1 A 58 58 SER CB C 58 63.792 61.935 1.857 1
1 596 . 12 1 1 A 58 58 SER N N 58 115.478 112.037 3.441 1
1 597 . 12 1 1 A 59 59 LEU H H 59 8.278 8.679 -0.401 1
1 598 . 12 1 1 A 59 59 LEU HA H 59 4.384 4.451 -0.067 1
1 608 . 12 1 1 A 59 59 LEU CA C 59 55.219 56.967 -1.748 1
1 609 . 12 1 1 A 59 59 LEU CB C 59 42.377 43.247 -0.870 1
1 613 . 12 1 1 A 59 59 LEU N N 59 124.033 125.435 -1.402 1
1 614 . 12 1 1 A 60 60 CYS H H 60 8.331 8.010 0.321 1
1 615 . 12 1 1 A 60 60 CYS HA H 60 4.398 4.293 0.105 1
1 618 . 12 1 1 A 60 60 CYS C C 60 174.142 175.228 -1.086 1
1 619 . 12 1 1 A 60 60 CYS CA C 60 58.505 59.902 -1.397 1
1 620 . 12 1 1 A 60 60 CYS CB C 60 27.338 27.800 -0.462 1
1 621 . 12 1 1 A 60 60 CYS N N 60 120.390 118.031 2.359 1
1 622 . 12 1 1 A 61 61 ARG H H 61 8.632 8.834 -0.202 1
1 623 . 12 1 1 A 61 61 ARG HA H 61 4.337 4.252 0.085 1
1 630 . 12 1 1 A 61 61 ARG C C 61 176.096 175.974 0.122 1
1 631 . 12 1 1 A 61 61 ARG CA C 61 56.003 56.784 -0.781 1
1 632 . 12 1 1 A 61 61 ARG CB C 61 30.757 32.056 -1.299 1
1 635 . 12 1 1 A 61 61 ARG N N 61 125.869 128.399 -2.530 1
1 636 . 12 1 1 A 62 62 GLY H H 62 7.263 6.638 0.625 1
1 637 . 12 1 1 A 62 62 GLY HA2 H 62 3.008 3.468 -0.460 1
1 638 . 12 1 1 A 62 62 GLY HA3 H 62 3.875 3.799 0.076 1
1 639 . 12 1 1 A 62 62 GLY C C 62 170.609 170.545 0.064 1
1 640 . 12 1 1 A 62 62 GLY CA C 62 44.808 44.506 0.302 1
1 641 . 12 1 1 A 62 62 GLY N N 62 107.908 105.458 2.450 1
1 642 . 12 1 1 A 63 63 ILE H H 63 7.895 8.181 -0.286 1
1 643 . 12 1 1 A 63 63 ILE HA H 63 4.843 4.782 0.061 1
1 653 . 12 1 1 A 63 63 ILE C C 63 175.450 174.231 1.219 1
1 654 . 12 1 1 A 63 63 ILE CA C 63 60.322 59.378 0.944 1
1 655 . 12 1 1 A 63 63 ILE CB C 63 41.957 42.215 -0.258 1
1 659 . 12 1 1 A 63 63 ILE N N 63 117.987 121.035 -3.048 1
1 660 . 12 1 1 A 64 64 LEU H H 64 9.429 9.048 0.381 1
1 661 . 12 1 1 A 64 64 LEU HA H 64 4.916 4.874 0.042 1
1 671 . 12 1 1 A 64 64 LEU C C 64 176.136 176.729 -0.593 1
1 672 . 12 1 1 A 64 64 LEU CA C 64 53.059 53.779 -0.720 1
1 673 . 12 1 1 A 64 64 LEU CB C 64 43.788 43.691 0.097 1
1 677 . 12 1 1 A 64 64 LEU N N 64 127.063 127.792 -0.729 1
1 678 . 12 1 1 A 65 65 ASP H H 65 9.241 8.995 0.246 1
1 679 . 12 1 1 A 65 65 ASP HA H 65 4.818 4.337 0.481 1
1 682 . 12 1 1 A 65 65 ASP C C 65 177.925 176.793 1.132 1
1 683 . 12 1 1 A 65 65 ASP CA C 65 53.628 57.168 -3.540 1
1 684 . 12 1 1 A 65 65 ASP CB C 65 40.307 40.178 0.129 1
1 685 . 12 1 1 A 65 65 ASP N N 65 122.728 127.009 -4.281 1
1 686 . 12 1 1 A 66 66 LEU H H 66 8.766 8.125 0.641 1
1 687 . 12 1 1 A 66 66 LEU HA H 66 4.212 4.200 0.012 1
1 697 . 12 1 1 A 66 66 LEU C C 66 177.167 176.601 0.566 1
1 698 . 12 1 1 A 66 66 LEU CA C 66 57.854 56.596 1.258 1
1 699 . 12 1 1 A 66 66 LEU CB C 66 41.006 40.309 0.697 1
1 703 . 12 1 1 A 66 66 LEU N N 66 126.997 116.294 10.703 1
1 704 . 12 1 1 A 67 67 ASN H H 67 8.585 8.151 0.434 1
1 705 . 12 1 1 A 67 67 ASN HA H 67 4.721 4.876 -0.155 1
1 710 . 12 1 1 A 67 67 ASN C C 67 176.583 175.744 0.839 1
1 711 . 12 1 1 A 67 67 ASN CA C 67 55.648 53.978 1.670 1
1 712 . 12 1 1 A 67 67 ASN CB C 67 38.464 39.870 -1.406 1
1 713 . 12 1 1 A 67 67 ASN N N 67 113.883 115.939 -2.056 1
1 715 . 12 1 1 A 68 68 THR H H 68 8.007 8.144 -0.137 1
1 716 . 12 1 1 A 68 68 THR HA H 68 4.513 4.597 -0.084 1
1 721 . 12 1 1 A 68 68 THR C C 68 172.870 173.405 -0.535 1
1 722 . 12 1 1 A 68 68 THR CA C 68 61.441 60.043 1.398 1
1 723 . 12 1 1 A 68 68 THR CB C 68 69.432 68.701 0.731 1
1 725 . 12 1 1 A 68 68 THR N N 68 108.340 106.512 1.828 1
1 726 . 12 1 1 A 69 69 TYR H H 69 7.560 8.694 -1.134 1
1 727 . 12 1 1 A 69 69 TYR HA H 69 5.199 5.537 -0.338 1
1 734 . 12 1 1 A 69 69 TYR C C 69 174.283 174.396 -0.113 1
1 735 . 12 1 1 A 69 69 TYR CA C 69 57.848 56.447 1.401 1
1 736 . 12 1 1 A 69 69 TYR CB C 69 44.393 43.646 0.747 1
1 741 . 12 1 1 A 69 69 TYR N N 69 119.888 124.080 -4.192 1
1 742 . 12 1 1 A 70 70 ASN H H 70 9.116 9.291 -0.175 1
1 743 . 12 1 1 A 70 70 ASN HA H 70 5.162 5.603 -0.441 1
1 748 . 12 1 1 A 70 70 ASN C C 70 174.340 174.429 -0.089 1
1 749 . 12 1 1 A 70 70 ASN CA C 70 52.364 52.642 -0.278 1
1 750 . 12 1 1 A 70 70 ASN CB C 70 42.062 42.915 -0.853 1
1 751 . 12 1 1 A 70 70 ASN N N 70 116.071 117.758 -1.687 1
1 753 . 12 1 1 A 71 71 VAL H H 71 8.564 9.426 -0.862 1
1 754 . 12 1 1 A 71 71 VAL HA H 71 5.766 4.838 0.928 1
1 762 . 12 1 1 A 71 71 VAL C C 71 173.261 175.729 -2.468 1
1 763 . 12 1 1 A 71 71 VAL CA C 71 59.076 62.129 -3.053 1
1 764 . 12 1 1 A 71 71 VAL CB C 71 34.982 32.467 2.515 1
1 767 . 12 1 1 A 71 71 VAL N N 71 120.784 125.026 -4.242 1
1 768 . 12 1 1 A 72 72 VAL H H 72 9.308 8.811 0.497 1
1 769 . 12 1 1 A 72 72 VAL HA H 72 4.806 4.812 -0.006 1
1 777 . 12 1 1 A 72 72 VAL C C 72 175.047 174.121 0.926 1
1 778 . 12 1 1 A 72 72 VAL CA C 72 60.330 59.789 0.541 1
1 779 . 12 1 1 A 72 72 VAL CB C 72 36.467 34.844 1.623 1
1 782 . 12 1 1 A 72 72 VAL N N 72 125.272 121.661 3.611 1
1 783 . 12 1 1 A 73 73 LYS H H 73 8.793 8.187 0.606 1
1 784 . 12 1 1 A 73 73 LYS HA H 73 4.652 2.902 1.750 1
1 793 . 12 1 1 A 73 73 LYS C C 73 176.241 174.603 1.638 1
1 794 . 12 1 1 A 73 73 LYS CA C 73 55.799 55.916 -0.117 1
1 795 . 12 1 1 A 73 73 LYS CB C 73 33.452 32.164 1.288 1
1 799 . 12 1 1 A 73 73 LYS N N 73 124.197 126.830 -2.633 1
1 800 . 12 1 1 A 74 74 ALA H H 74 8.172 8.350 -0.178 1
1 801 . 12 1 1 A 74 74 ALA HA H 74 4.849 4.525 0.324 1
1 805 . 12 1 1 A 74 74 ALA CA C 74 49.540 50.089 -0.549 1
1 806 . 12 1 1 A 74 74 ALA CB C 74 17.685 19.612 -1.927 1
1 807 . 12 1 1 A 74 74 ALA N N 74 128.026 129.483 -1.457 1
1 808 . 12 1 1 A 75 75 PRO HA H 75 4.351 4.510 -0.159 1
1 815 . 12 1 1 A 75 75 PRO CA C 75 65.256 62.970 2.286 1
1 816 . 12 1 1 A 75 75 PRO CB C 75 32.158 32.515 -0.357 1
1 819 . 12 1 1 A 76 76 GLN H H 76 8.660 9.093 -0.433 1
1 820 . 12 1 1 A 76 76 GLN HA H 76 4.561 3.951 0.610 1
1 825 . 12 1 1 A 76 76 GLN C C 76 176.426 176.039 0.387 1
1 826 . 12 1 1 A 76 76 GLN CA C 76 55.168 57.174 -2.006 1
1 827 . 12 1 1 A 76 76 GLN CB C 76 28.925 26.915 2.010 1
1 829 . 12 1 1 A 76 76 GLN N N 76 116.110 116.106 0.004 1
1 830 . 12 1 1 A 77 77 GLY H H 77 7.527 8.400 -0.873 1
1 831 . 12 1 1 A 77 77 GLY HA2 H 77 3.382 3.854 -0.472 1
1 832 . 12 1 1 A 77 77 GLY HA3 H 77 4.505 3.885 0.620 1
1 833 . 12 1 1 A 77 77 GLY C C 77 172.487 174.494 -2.007 1
1 834 . 12 1 1 A 77 77 GLY CA C 77 44.852 45.951 -1.099 1
1 835 . 12 1 1 A 77 77 GLY N N 77 107.608 107.728 -0.120 1
1 836 . 12 1 1 A 78 78 LYS H H 78 8.123 8.575 -0.452 1
1 837 . 12 1 1 A 78 78 LYS HA H 78 4.191 4.465 -0.274 1
1 846 . 12 1 1 A 78 78 LYS C C 78 175.300 175.216 0.084 1
1 847 . 12 1 1 A 78 78 LYS CA C 78 56.737 57.209 -0.472 1
1 848 . 12 1 1 A 78 78 LYS CB C 78 35.900 35.808 0.092 1
1 852 . 12 1 1 A 78 78 LYS N N 78 117.756 123.619 -5.863 1
1 853 . 12 1 1 A 79 79 ASN H H 79 9.105 7.947 1.158 1
1 854 . 12 1 1 A 79 79 ASN HA H 79 4.099 4.911 -0.812 1
1 859 . 12 1 1 A 79 79 ASN C C 79 175.098 175.164 -0.066 1
1 860 . 12 1 1 A 79 79 ASN CA C 79 54.563 51.789 2.774 1
1 861 . 12 1 1 A 79 79 ASN CB C 79 37.353 40.101 -2.748 1
1 862 . 12 1 1 A 79 79 ASN N N 79 120.643 115.530 5.113 1
1 864 . 12 1 1 A 80 80 GLN H H 80 8.608 8.637 -0.029 1
1 865 . 12 1 1 A 80 80 GLN HA H 80 3.648 3.896 -0.248 1
1 870 . 12 1 1 A 80 80 GLN C C 80 175.327 174.666 0.661 1
1 871 . 12 1 1 A 80 80 GLN CA C 80 57.975 57.244 0.731 1
1 872 . 12 1 1 A 80 80 GLN CB C 80 26.506 26.863 -0.357 1
1 874 . 12 1 1 A 80 80 GLN N N 80 108.385 121.229 -12.844 1
1 875 . 12 1 1 A 81 81 LYS H H 81 7.608 7.539 0.069 1
1 876 . 12 1 1 A 81 81 LYS HA H 81 4.325 4.662 -0.337 1
1 885 . 12 1 1 A 81 81 LYS C C 81 176.242 175.715 0.527 1
1 886 . 12 1 1 A 81 81 LYS CA C 81 54.186 54.145 0.041 1
1 887 . 12 1 1 A 81 81 LYS CB C 81 33.385 35.586 -2.201 1
1 891 . 12 1 1 A 81 81 LYS N N 81 119.675 118.719 0.956 1
1 892 . 12 1 1 A 82 82 SER H H 82 7.692 8.280 -0.588 1
1 893 . 12 1 1 A 82 82 SER HA H 82 3.850 4.528 -0.678 1
1 896 . 12 1 1 A 82 82 SER C C 82 174.045 174.198 -0.153 1
1 897 . 12 1 1 A 82 82 SER CA C 82 60.984 59.415 1.569 1
1 898 . 12 1 1 A 82 82 SER CB C 82 62.962 64.791 -1.829 1
1 899 . 12 1 1 A 82 82 SER N N 82 117.008 114.868 2.140 1
1 900 . 12 1 1 A 83 83 PHE H H 83 8.545 7.473 1.072 1
1 901 . 12 1 1 A 83 83 PHE HA H 83 4.921 5.124 -0.203 1
1 908 . 12 1 1 A 83 83 PHE C C 83 172.686 174.690 -2.004 1
1 909 . 12 1 1 A 83 83 PHE CA C 83 55.383 56.521 -1.138 1
1 910 . 12 1 1 A 83 83 PHE CB C 83 37.774 39.625 -1.851 1
1 915 . 12 1 1 A 83 83 PHE N N 83 124.073 116.639 7.434 1
1 916 . 12 1 1 A 84 84 VAL H H 84 8.420 8.768 -0.348 1
1 917 . 12 1 1 A 84 84 VAL HA H 84 5.348 5.117 0.231 1
1 925 . 12 1 1 A 84 84 VAL C C 84 175.816 174.690 1.126 1
1 926 . 12 1 1 A 84 84 VAL CA C 84 60.177 60.829 -0.652 1
1 927 . 12 1 1 A 84 84 VAL CB C 84 37.646 35.721 1.925 1
1 930 . 12 1 1 A 84 84 VAL N N 84 123.085 123.221 -0.136 1
1 931 . 12 1 1 A 85 85 PHE H H 85 8.812 9.038 -0.226 1
1 932 . 12 1 1 A 85 85 PHE HA H 85 5.510 5.153 0.357 1
1 940 . 12 1 1 A 85 85 PHE C C 85 171.610 174.556 -2.946 1
1 941 . 12 1 1 A 85 85 PHE CA C 85 55.360 55.897 -0.537 1
1 942 . 12 1 1 A 85 85 PHE CB C 85 41.424 41.236 0.188 1
1 948 . 12 1 1 A 85 85 PHE N N 85 122.454 124.913 -2.459 1
1 949 . 12 1 1 A 86 86 ILE H H 86 9.406 9.130 0.276 1
1 950 . 12 1 1 A 86 86 ILE HA H 86 4.844 4.905 -0.061 1
1 960 . 12 1 1 A 86 86 ILE C C 86 175.559 175.002 0.557 1
1 961 . 12 1 1 A 86 86 ILE CA C 86 60.323 60.217 0.106 1
1 962 . 12 1 1 A 86 86 ILE CB C 86 42.374 40.229 2.145 1
1 966 . 12 1 1 A 86 86 ILE N N 86 120.483 123.508 -3.025 1
1 967 . 12 1 1 A 87 87 LEU H H 87 9.450 9.283 0.167 1
1 968 . 12 1 1 A 87 87 LEU HA H 87 5.238 5.726 -0.488 1
1 978 . 12 1 1 A 87 87 LEU C C 87 175.145 175.815 -0.670 1
1 979 . 12 1 1 A 87 87 LEU CA C 87 52.778 53.187 -0.409 1
1 980 . 12 1 1 A 87 87 LEU CB C 87 40.657 43.272 -2.615 1
1 984 . 12 1 1 A 87 87 LEU N N 87 126.149 127.474 -1.325 1
1 985 . 12 1 1 A 88 88 GLU H H 88 9.120 9.215 -0.095 1
1 986 . 12 1 1 A 88 88 GLU HA H 88 4.986 4.976 0.010 1
1 991 . 12 1 1 A 88 88 GLU CA C 88 52.677 52.848 -0.171 1
1 992 . 12 1 1 A 88 88 GLU CB C 88 31.511 30.700 0.811 1
1 994 . 12 1 1 A 88 88 GLU N N 88 126.028 124.708 1.320 1
1 995 . 12 1 1 A 89 89 PRO HA H 89 4.239 4.265 -0.026 1
1 1002 . 12 1 1 A 89 89 PRO C C 89 177.398 177.048 0.350 1
1 1003 . 12 1 1 A 89 89 PRO CA C 89 63.214 62.749 0.465 1
1 1004 . 12 1 1 A 89 89 PRO CB C 89 32.855 31.857 0.998 1
1 1007 . 12 1 1 A 90 90 LYS H H 90 8.166 8.693 -0.527 1
1 1008 . 12 1 1 A 90 90 LYS HA H 90 4.041 4.444 -0.403 1
1 1017 . 12 1 1 A 90 90 LYS C C 90 177.384 176.869 0.515 1
1 1018 . 12 1 1 A 90 90 LYS CA C 90 58.404 56.453 1.951 1
1 1019 . 12 1 1 A 90 90 LYS CB C 90 33.133 32.246 0.887 1
1 1023 . 12 1 1 A 90 90 LYS N N 90 121.350 121.533 -0.183 1
1 1024 . 12 1 1 A 91 91 GLN H H 91 8.252 7.637 0.615 1
1 1025 . 12 1 1 A 91 91 GLN HA H 91 4.423 4.094 0.329 1
1 1032 . 12 1 1 A 91 91 GLN C C 91 175.039 176.031 -0.992 1
1 1033 . 12 1 1 A 91 91 GLN CA C 91 54.303 58.085 -3.782 1
1 1034 . 12 1 1 A 91 91 GLN CB C 91 29.208 29.711 -0.503 1
1 1036 . 12 1 1 A 91 91 GLN N N 91 118.759 120.832 -2.073 1
1 1038 . 12 1 1 A 92 92 GLN H H 92 8.460 7.830 0.630 1
1 1039 . 12 1 1 A 92 92 GLN HA H 92 4.057 4.527 -0.470 1
1 1044 . 12 1 1 A 92 92 GLN C C 92 177.080 175.663 1.417 1
1 1045 . 12 1 1 A 92 92 GLN CA C 92 57.446 54.798 2.648 1
1 1046 . 12 1 1 A 92 92 GLN CB C 92 28.472 28.857 -0.385 1
1 1048 . 12 1 1 A 92 92 GLN N N 92 124.928 114.268 10.660 1
1 1049 . 12 1 1 A 93 93 GLY H H 93 8.870 8.101 0.769 1
1 1050 . 12 1 1 A 93 93 GLY HA2 H 93 3.639 3.880 -0.241 1
1 1051 . 12 1 1 A 93 93 GLY HA3 H 93 4.338 3.881 0.457 1
1 1052 . 12 1 1 A 93 93 GLY C C 93 174.298 174.537 -0.239 1
1 1053 . 12 1 1 A 93 93 GLY CA C 93 45.336 46.141 -0.805 1
1 1054 . 12 1 1 A 93 93 GLY N N 93 113.393 108.888 4.505 1
1 1055 . 12 1 1 A 94 94 ASP H H 94 7.546 7.881 -0.335 1
1 1056 . 12 1 1 A 94 94 ASP HA H 94 5.056 4.637 0.419 1
1 1059 . 12 1 1 A 94 94 ASP CA C 94 52.662 53.220 -0.558 1
1 1060 . 12 1 1 A 94 94 ASP CB C 94 40.179 40.434 -0.255 1
1 1061 . 12 1 1 A 94 94 ASP N N 94 123.111 120.658 2.453 1
1 1062 . 12 1 1 A 95 95 PRO HA H 95 4.933 4.679 0.254 1
1 1069 . 12 1 1 A 95 95 PRO CA C 95 61.243 61.877 -0.634 1
1 1070 . 12 1 1 A 95 95 PRO CB C 95 31.234 31.721 -0.487 1
1 1073 . 12 1 1 A 96 96 PRO HA H 96 5.190 5.019 0.171 1
1 1080 . 12 1 1 A 96 96 PRO C C 96 176.664 175.642 1.022 1
1 1081 . 12 1 1 A 96 96 PRO CA C 96 62.399 62.477 -0.078 1
1 1082 . 12 1 1 A 96 96 PRO CB C 96 32.850 32.982 -0.132 1
1 1085 . 12 1 1 A 97 97 VAL H H 97 8.448 8.403 0.045 1
1 1086 . 12 1 1 A 97 97 VAL HA H 97 4.145 4.775 -0.630 1
1 1094 . 12 1 1 A 97 97 VAL C C 97 174.020 175.361 -1.341 1
1 1095 . 12 1 1 A 97 97 VAL CA C 97 61.710 60.891 0.819 1
1 1096 . 12 1 1 A 97 97 VAL CB C 97 33.977 35.355 -1.378 1
1 1099 . 12 1 1 A 97 97 VAL N N 97 121.904 119.855 2.049 1
1 1100 . 12 1 1 A 98 98 GLU H H 98 8.599 8.797 -0.198 1
1 1101 . 12 1 1 A 98 98 GLU HA H 98 4.778 5.213 -0.435 1
1 1106 . 12 1 1 A 98 98 GLU C C 98 173.807 176.100 -2.293 1
1 1107 . 12 1 1 A 98 98 GLU CA C 98 55.674 55.495 0.179 1
1 1108 . 12 1 1 A 98 98 GLU CB C 98 30.827 32.324 -1.497 1
1 1110 . 12 1 1 A 98 98 GLU N N 98 126.577 127.229 -0.652 1
1 1111 . 12 1 1 A 99 99 PHE H H 99 8.701 9.140 -0.439 1
1 1112 . 12 1 1 A 99 99 PHE HA H 99 5.773 5.986 -0.213 1
1 1120 . 12 1 1 A 99 99 PHE C C 99 174.648 174.826 -0.178 1
1 1121 . 12 1 1 A 99 99 PHE CA C 99 55.799 57.102 -1.303 1
1 1122 . 12 1 1 A 99 99 PHE CB C 99 44.025 44.257 -0.232 1
1 1128 . 12 1 1 A 99 99 PHE N N 99 120.755 120.311 0.444 1
1 1129 . 12 1 1 A 100 100 ALA H H 100 8.737 8.669 0.068 1
1 1130 . 12 1 1 A 100 100 ALA HA H 100 5.669 5.285 0.384 1
1 1134 . 12 1 1 A 100 100 ALA C C 100 176.491 176.403 0.088 1
1 1135 . 12 1 1 A 100 100 ALA CA C 100 49.850 51.316 -1.466 1
1 1136 . 12 1 1 A 100 100 ALA CB C 100 23.399 23.411 -0.012 1
1 1137 . 12 1 1 A 100 100 ALA N N 100 118.211 121.790 -3.579 1
1 1138 . 12 1 1 A 101 101 THR H H 101 8.272 8.497 -0.225 1
1 1139 . 12 1 1 A 101 101 THR HA H 101 5.232 5.083 0.149 1
1 1144 . 12 1 1 A 101 101 THR C C 101 174.787 173.452 1.335 1
1 1145 . 12 1 1 A 101 101 THR CA C 101 59.068 60.337 -1.269 1
1 1146 . 12 1 1 A 101 101 THR CB C 101 70.089 72.381 -2.292 1
1 1148 . 12 1 1 A 101 101 THR N N 101 108.062 109.604 -1.542 1
1 1149 . 12 1 1 A 102 102 ASP H H 102 8.625 8.693 -0.068 1
1 1150 . 12 1 1 A 102 102 ASP HA H 102 5.009 4.942 0.067 1
1 1153 . 12 1 1 A 102 102 ASP C C 102 177.730 175.354 2.376 1
1 1154 . 12 1 1 A 102 102 ASP CA C 102 56.976 53.902 3.074 1
1 1155 . 12 1 1 A 102 102 ASP CB C 102 42.543 42.777 -0.234 1
1 1156 . 12 1 1 A 102 102 ASP N N 102 118.482 118.539 -0.057 1
1 1157 . 12 1 1 A 103 103 ARG H H 103 8.208 7.546 0.662 1
1 1158 . 12 1 1 A 103 103 ARG HA H 103 4.772 4.942 -0.170 1
1 1165 . 12 1 1 A 103 103 ARG C C 103 178.000 176.286 1.714 1
1 1166 . 12 1 1 A 103 103 ARG CA C 103 54.079 54.047 0.032 1
1 1167 . 12 1 1 A 103 103 ARG CB C 103 33.914 34.796 -0.882 1
1 1170 . 12 1 1 A 103 103 ARG N N 103 116.043 118.115 -2.072 1
1 1171 . 12 1 1 A 104 104 VAL H H 104 8.516 9.036 -0.520 1
1 1172 . 12 1 1 A 104 104 VAL HA H 104 2.857 3.572 -0.715 1
1 1180 . 12 1 1 A 104 104 VAL C C 104 176.158 177.534 -1.376 1
1 1181 . 12 1 1 A 104 104 VAL CA C 104 64.625 66.555 -1.930 1
1 1182 . 12 1 1 A 104 104 VAL CB C 104 30.883 31.757 -0.874 1
1 1185 . 12 1 1 A 104 104 VAL N N 104 128.496 122.024 6.472 1
1 1186 . 12 1 1 A 105 105 GLU H H 105 9.414 8.278 1.136 1
1 1187 . 12 1 1 A 105 105 GLU HA H 105 3.989 4.037 -0.048 1
1 1192 . 12 1 1 A 105 105 GLU C C 105 179.982 179.557 0.425 1
1 1193 . 12 1 1 A 105 105 GLU CA C 105 60.599 59.694 0.905 1
1 1194 . 12 1 1 A 105 105 GLU CB C 105 27.973 29.518 -1.545 1
1 1196 . 12 1 1 A 105 105 GLU N N 105 121.934 118.774 3.160 1
1 1197 . 12 1 1 A 106 106 GLU H H 106 6.769 8.290 -1.521 1
1 1198 . 12 1 1 A 106 106 GLU HA H 106 4.370 4.059 0.311 1
1 1203 . 12 1 1 A 106 106 GLU C C 106 178.312 179.273 -0.961 1
1 1204 . 12 1 1 A 106 106 GLU CA C 106 58.503 59.289 -0.786 1
1 1205 . 12 1 1 A 106 106 GLU CB C 106 30.657 29.041 1.616 1
1 1207 . 12 1 1 A 106 106 GLU N N 106 116.721 120.759 -4.038 1
1 1208 . 12 1 1 A 107 107 LEU H H 107 7.161 7.479 -0.318 1
1 1209 . 12 1 1 A 107 107 LEU HA H 107 4.040 4.095 -0.055 1
1 1219 . 12 1 1 A 107 107 LEU C C 107 177.985 178.502 -0.517 1
1 1220 . 12 1 1 A 107 107 LEU CA C 107 58.930 58.100 0.830 1
1 1221 . 12 1 1 A 107 107 LEU CB C 107 40.058 42.045 -1.987 1
1 1225 . 12 1 1 A 107 107 LEU N N 107 122.171 122.156 0.015 1
1 1226 . 12 1 1 A 108 108 PHE H H 108 7.986 8.332 -0.346 1
1 1227 . 12 1 1 A 108 108 PHE HA H 108 4.199 4.205 -0.006 1
1 1234 . 12 1 1 A 108 108 PHE C C 108 178.069 178.109 -0.040 1
1 1235 . 12 1 1 A 108 108 PHE CA C 108 61.167 60.901 0.266 1
1 1236 . 12 1 1 A 108 108 PHE CB C 108 38.208 37.973 0.235 1
1 1241 . 12 1 1 A 108 108 PHE N N 108 116.696 117.659 -0.963 1
1 1242 . 12 1 1 A 109 109 GLU H H 109 7.719 8.680 -0.961 1
1 1243 . 12 1 1 A 109 109 GLU HA H 109 3.951 4.013 -0.062 1
1 1248 . 12 1 1 A 109 109 GLU C C 109 179.858 179.034 0.824 1
1 1249 . 12 1 1 A 109 109 GLU CA C 109 59.664 59.085 0.579 1
1 1250 . 12 1 1 A 109 109 GLU CB C 109 29.923 29.780 0.143 1
1 1252 . 12 1 1 A 109 109 GLU N N 109 119.214 120.717 -1.503 1
1 1253 . 12 1 1 A 110 110 TRP H H 110 8.445 7.980 0.465 1
1 1254 . 12 1 1 A 110 110 TRP HA H 110 3.634 4.217 -0.583 1
1 1263 . 12 1 1 A 110 110 TRP C C 110 177.691 178.903 -1.212 1
1 1264 . 12 1 1 A 110 110 TRP CA C 110 62.078 60.156 1.922 1
1 1265 . 12 1 1 A 110 110 TRP CB C 110 29.275 29.187 0.088 1
1 1271 . 12 1 1 A 110 110 TRP N N 110 120.045 120.693 -0.648 1
1 1273 . 12 1 1 A 111 111 PHE H H 111 8.668 7.844 0.824 1
1 1274 . 12 1 1 A 111 111 PHE HA H 111 3.436 4.128 -0.692 1
1 1282 . 12 1 1 A 111 111 PHE C C 111 176.547 177.893 -1.346 1
1 1283 . 12 1 1 A 111 111 PHE CA C 111 62.182 61.186 0.996 1
1 1284 . 12 1 1 A 111 111 PHE CB C 111 39.904 37.403 2.501 1
1 1290 . 12 1 1 A 111 111 PHE N N 111 117.907 118.215 -0.308 1
1 1291 . 12 1 1 A 112 112 GLN H H 112 8.254 7.981 0.273 1
1 1292 . 12 1 1 A 112 112 GLN HA H 112 3.685 4.032 -0.347 1
1 1299 . 12 1 1 A 112 112 GLN C C 112 178.503 178.533 -0.030 1
1 1300 . 12 1 1 A 112 112 GLN CA C 112 58.624 58.715 -0.091 1
1 1301 . 12 1 1 A 112 112 GLN CB C 112 27.980 28.648 -0.668 1
1 1303 . 12 1 1 A 112 112 GLN N N 112 116.394 121.307 -4.913 1
1 1305 . 12 1 1 A 113 113 SER H H 113 7.741 7.700 0.041 1
1 1306 . 12 1 1 A 113 113 SER HA H 113 4.036 4.144 -0.108 1
1 1309 . 12 1 1 A 113 113 SER C C 113 176.428 175.921 0.507 1
1 1310 . 12 1 1 A 113 113 SER CA C 113 62.062 62.409 -0.347 1
1 1311 . 12 1 1 A 113 113 SER CB C 113 62.655 62.970 -0.315 1
1 1312 . 12 1 1 A 113 113 SER N N 113 114.734 117.008 -2.274 1
1 1313 . 12 1 1 A 114 114 ILE H H 114 7.915 7.882 0.033 1
1 1314 . 12 1 1 A 114 114 ILE HA H 114 3.559 3.689 -0.130 1
1 1324 . 12 1 1 A 114 114 ILE C C 114 178.594 178.528 0.066 1
1 1325 . 12 1 1 A 114 114 ILE CA C 114 65.364 65.058 0.306 1
1 1326 . 12 1 1 A 114 114 ILE CB C 114 38.395 37.575 0.820 1
1 1330 . 12 1 1 A 114 114 ILE N N 114 119.893 121.135 -1.242 1
1 1331 . 12 1 1 A 115 115 ARG H H 115 8.581 7.713 0.868 1
1 1332 . 12 1 1 A 115 115 ARG HA H 115 3.881 4.201 -0.320 1
1 1339 . 12 1 1 A 115 115 ARG C C 115 177.921 179.611 -1.690 1
1 1340 . 12 1 1 A 115 115 ARG CA C 115 58.689 59.605 -0.916 1
1 1341 . 12 1 1 A 115 115 ARG CB C 115 29.134 29.508 -0.374 1
1 1344 . 12 1 1 A 115 115 ARG N N 115 123.090 121.534 1.556 1
1 1345 . 12 1 1 A 116 116 GLU H H 116 7.653 8.081 -0.428 1
1 1346 . 12 1 1 A 116 116 GLU HA H 116 3.959 4.168 -0.209 1
1 1351 . 12 1 1 A 116 116 GLU C C 116 178.178 177.575 0.603 1
1 1352 . 12 1 1 A 116 116 GLU CA C 116 58.767 58.847 -0.080 1
1 1353 . 12 1 1 A 116 116 GLU CB C 116 29.501 29.531 -0.030 1
1 1355 . 12 1 1 A 116 116 GLU N N 116 116.356 119.123 -2.767 1
1 1356 . 12 1 1 A 117 117 ILE H H 117 7.334 7.360 -0.026 1
1 1357 . 12 1 1 A 117 117 ILE HA H 117 3.909 4.287 -0.378 1
1 1367 . 12 1 1 A 117 117 ILE C C 117 177.733 177.323 0.410 1
1 1368 . 12 1 1 A 117 117 ILE CA C 117 63.443 61.971 1.472 1
1 1369 . 12 1 1 A 117 117 ILE CB C 117 39.059 38.956 0.103 1
1 1373 . 12 1 1 A 117 117 ILE N N 117 117.514 117.369 0.145 1
1 1374 . 12 1 1 A 118 118 THR H H 118 8.075 7.761 0.314 1
1 1375 . 12 1 1 A 118 118 THR HA H 118 4.367 4.711 -0.344 1
1 1380 . 12 1 1 A 118 118 THR C C 118 176.050 175.256 0.794 1
1 1381 . 12 1 1 A 118 118 THR CA C 118 63.494 61.773 1.721 1
1 1382 . 12 1 1 A 118 118 THR CB C 118 70.326 69.734 0.592 1
1 1384 . 12 1 1 A 118 118 THR N N 118 109.879 109.045 0.834 1
1 1385 . 12 1 1 A 119 119 TRP H H 119 8.283 7.935 0.348 1
1 1386 . 12 1 1 A 119 119 TRP HA H 119 4.792 5.063 -0.271 1
1 1395 . 12 1 1 A 119 119 TRP C C 119 175.855 177.015 -1.160 1
1 1396 . 12 1 1 A 119 119 TRP CA C 119 57.464 56.614 0.850 1
1 1397 . 12 1 1 A 119 119 TRP CB C 119 29.488 29.625 -0.137 1
1 1403 . 12 1 1 A 119 119 TRP N N 119 124.034 122.134 1.900 1
1 1405 . 12 1 1 A 120 120 LYS H H 120 7.723 7.847 -0.124 1
1 1406 . 12 1 1 A 120 120 LYS HA H 120 4.198 4.367 -0.169 1
1 1415 . 12 1 1 A 120 120 LYS C C 120 176.162 175.734 0.428 1
1 1416 . 12 1 1 A 120 120 LYS CA C 120 56.049 56.428 -0.379 1
1 1417 . 12 1 1 A 120 120 LYS CB C 120 32.924 32.635 0.289 1
1 1421 . 12 1 1 A 120 120 LYS N N 120 123.166 119.357 3.809 1
1 1422 . 12 1 1 A 121 121 ILE H H 121 7.874 7.493 0.381 1
1 1423 . 12 1 1 A 121 121 ILE HA H 121 4.035 4.152 -0.117 1
1 1433 . 12 1 1 A 121 121 ILE C C 121 175.950 174.598 1.352 1
1 1434 . 12 1 1 A 121 121 ILE CA C 121 61.120 60.697 0.423 1
1 1435 . 12 1 1 A 121 121 ILE CB C 121 38.708 36.614 2.094 1
1 1439 . 12 1 1 A 121 121 ILE N N 121 121.301 121.539 -0.238 1
1 1440 . 12 1 1 A 122 122 ASP H H 122 8.317 8.519 -0.202 1
1 1441 . 12 1 1 A 122 122 ASP HA H 122 4.677 4.797 -0.120 1
1 1444 . 12 1 1 A 122 122 ASP C C 122 176.278 176.349 -0.071 1
1 1445 . 12 1 1 A 122 122 ASP CA C 122 54.157 54.254 -0.097 1
1 1446 . 12 1 1 A 122 122 ASP CB C 122 41.316 41.502 -0.186 1
1 1447 . 12 1 1 A 122 122 ASP N N 122 124.058 127.633 -3.575 1
1 1448 . 12 1 1 A 123 123 THR H H 123 8.003 8.624 -0.621 1
1 1449 . 12 1 1 A 123 123 THR HA H 123 4.307 4.329 -0.022 1
1 1454 . 12 1 1 A 123 123 THR C C 123 173.831 174.592 -0.761 1
1 1455 . 12 1 1 A 123 123 THR CA C 123 61.715 62.112 -0.397 1
1 1456 . 12 1 1 A 123 123 THR CB C 123 69.736 69.125 0.611 1
1 1458 . 12 1 1 A 123 123 THR N N 123 114.853 116.207 -1.354 1
1 2 . 13 1 1 A 9 9 LYS H H 9 8.338 7.556 0.782 1
1 3 . 13 1 1 A 9 9 LYS C C 9 176.402 175.257 1.145 1
1 4 . 13 1 1 A 9 9 LYS N N 9 122.857 122.448 0.409 1
1 5 . 13 1 1 A 10 10 ASP H H 10 8.335 8.836 -0.501 1
1 6 . 13 1 1 A 10 10 ASP HA H 10 4.562 5.255 -0.693 1
1 9 . 13 1 1 A 10 10 ASP C C 10 176.123 174.824 1.299 1
1 10 . 13 1 1 A 10 10 ASP CA C 10 54.344 53.032 1.312 1
1 11 . 13 1 1 A 10 10 ASP CB C 10 41.227 45.450 -4.223 1
1 12 . 13 1 1 A 10 10 ASP N N 10 121.507 125.542 -4.035 1
1 13 . 13 1 1 A 11 11 GLU H H 11 8.231 8.374 -0.143 1
1 14 . 13 1 1 A 11 11 GLU HA H 11 4.222 5.055 -0.833 1
1 19 . 13 1 1 A 11 11 GLU CA C 11 56.356 55.099 1.257 1
1 20 . 13 1 1 A 11 11 GLU CB C 11 30.439 31.935 -1.496 1
1 22 . 13 1 1 A 11 11 GLU N N 11 121.321 120.376 0.945 1
1 23 . 13 1 1 A 12 12 HIS H H 12 8.431 8.661 -0.230 1
1 24 . 13 1 1 A 12 12 HIS HA H 12 4.618 4.614 0.004 1
1 28 . 13 1 1 A 12 12 HIS C C 12 174.980 174.898 0.082 1
1 29 . 13 1 1 A 12 12 HIS CA C 12 55.952 56.933 -0.981 1
1 30 . 13 1 1 A 12 12 HIS CB C 12 30.058 31.104 -1.046 1
1 32 . 13 1 1 A 12 12 HIS N N 12 120.447 122.347 -1.900 1
1 33 . 13 1 1 A 13 13 LYS H H 13 8.191 7.947 0.244 1
1 34 . 13 1 1 A 13 13 LYS HA H 13 4.355 3.900 0.455 1
1 43 . 13 1 1 A 13 13 LYS C C 13 175.327 175.579 -0.252 1
1 44 . 13 1 1 A 13 13 LYS CA C 13 55.620 56.706 -1.086 1
1 45 . 13 1 1 A 13 13 LYS CB C 13 33.729 31.209 2.520 1
1 49 . 13 1 1 A 13 13 LYS N N 13 124.365 116.411 7.954 1
1 50 . 13 1 1 A 14 14 GLN H H 14 8.229 8.379 -0.150 1
1 51 . 13 1 1 A 14 14 GLN HA H 14 4.037 4.165 -0.128 1
1 58 . 13 1 1 A 14 14 GLN C C 14 173.432 174.975 -1.543 1
1 59 . 13 1 1 A 14 14 GLN CA C 14 54.613 55.516 -0.903 1
1 60 . 13 1 1 A 14 14 GLN CB C 14 29.096 28.173 0.923 1
1 62 . 13 1 1 A 14 14 GLN N N 14 123.823 123.112 0.711 1
1 64 . 13 1 1 A 15 15 GLN H H 15 7.896 8.417 -0.521 1
1 65 . 13 1 1 A 15 15 GLN HA H 15 5.459 5.330 0.129 1
1 70 . 13 1 1 A 15 15 GLN C C 15 174.263 175.714 -1.451 1
1 71 . 13 1 1 A 15 15 GLN CA C 15 54.506 54.252 0.254 1
1 72 . 13 1 1 A 15 15 GLN CB C 15 31.418 31.980 -0.562 1
1 74 . 13 1 1 A 15 15 GLN N N 15 121.452 122.858 -1.406 1
1 75 . 13 1 1 A 16 16 GLY H H 16 8.795 8.404 0.391 1
1 76 . 13 1 1 A 16 16 GLY HA2 H 16 4.056 4.289 -0.233 1
1 77 . 13 1 1 A 16 16 GLY HA3 H 16 4.801 4.512 0.289 1
1 78 . 13 1 1 A 16 16 GLY C C 16 171.456 171.518 -0.062 1
1 79 . 13 1 1 A 16 16 GLY CA C 16 44.773 46.335 -1.562 1
1 80 . 13 1 1 A 16 16 GLY N N 16 107.937 110.349 -2.412 1
1 81 . 13 1 1 A 17 17 GLU H H 17 8.718 8.504 0.214 1
1 82 . 13 1 1 A 17 17 GLU HA H 17 5.220 5.243 -0.023 1
1 87 . 13 1 1 A 17 17 GLU C C 17 176.562 175.091 1.471 1
1 88 . 13 1 1 A 17 17 GLU CA C 17 55.880 54.598 1.282 1
1 89 . 13 1 1 A 17 17 GLU CB C 17 30.995 33.206 -2.211 1
1 91 . 13 1 1 A 17 17 GLU N N 17 119.686 121.721 -2.035 1
1 92 . 13 1 1 A 18 18 LEU H H 18 8.806 8.793 0.013 1
1 93 . 13 1 1 A 18 18 LEU HA H 18 4.652 4.835 -0.183 1
1 103 . 13 1 1 A 18 18 LEU C C 18 176.851 174.828 2.023 1
1 104 . 13 1 1 A 18 18 LEU CA C 18 53.786 53.200 0.586 1
1 105 . 13 1 1 A 18 18 LEU CB C 18 47.961 46.559 1.402 1
1 109 . 13 1 1 A 18 18 LEU N N 18 122.158 124.510 -2.352 1
1 110 . 13 1 1 A 19 19 TYR H H 19 8.833 8.203 0.630 1
1 111 . 13 1 1 A 19 19 TYR HA H 19 5.837 5.712 0.125 1
1 118 . 13 1 1 A 19 19 TYR C C 19 176.038 175.453 0.585 1
1 119 . 13 1 1 A 19 19 TYR CA C 19 56.750 56.887 -0.137 1
1 120 . 13 1 1 A 19 19 TYR CB C 19 40.531 41.459 -0.928 1
1 125 . 13 1 1 A 19 19 TYR N N 19 117.278 120.786 -3.508 1
1 126 . 13 1 1 A 20 20 MET H H 20 9.743 9.339 0.404 1
1 127 . 13 1 1 A 20 20 MET HA H 20 5.207 5.313 -0.106 1
1 135 . 13 1 1 A 20 20 MET C C 20 175.349 174.936 0.413 1
1 136 . 13 1 1 A 20 20 MET CA C 20 54.611 54.463 0.148 1
1 137 . 13 1 1 A 20 20 MET CB C 20 37.352 36.450 0.902 1
1 140 . 13 1 1 A 20 20 MET N N 20 120.128 120.746 -0.618 1
1 141 . 13 1 1 A 21 21 TRP H H 21 8.142 8.359 -0.217 1
1 142 . 13 1 1 A 21 21 TRP HA H 21 4.084 3.985 0.099 1
1 150 . 13 1 1 A 21 21 TRP C C 21 174.752 174.603 0.149 1
1 151 . 13 1 1 A 21 21 TRP CA C 21 56.246 57.931 -1.685 1
1 152 . 13 1 1 A 21 21 TRP CB C 21 29.682 29.443 0.239 1
1 157 . 13 1 1 A 21 21 TRP N N 21 126.799 125.021 1.778 1
1 159 . 13 1 1 A 22 22 ASP H H 22 8.034 7.532 0.502 1
1 160 . 13 1 1 A 22 22 ASP HA H 22 4.417 4.549 -0.132 1
1 163 . 13 1 1 A 22 22 ASP C C 22 175.814 175.453 0.361 1
1 164 . 13 1 1 A 22 22 ASP CA C 22 52.020 52.101 -0.081 1
1 165 . 13 1 1 A 22 22 ASP CB C 22 41.748 41.001 0.747 1
1 166 . 13 1 1 A 22 22 ASP N N 22 129.313 127.094 2.219 1
1 167 . 13 1 1 A 23 23 SER H H 23 8.331 8.173 0.158 1
1 168 . 13 1 1 A 23 23 SER HA H 23 3.719 3.706 0.013 1
1 171 . 13 1 1 A 23 23 SER C C 23 175.145 175.932 -0.787 1
1 172 . 13 1 1 A 23 23 SER CA C 23 59.732 59.668 0.064 1
1 173 . 13 1 1 A 23 23 SER CB C 23 63.304 62.692 0.612 1
1 174 . 13 1 1 A 23 23 SER N N 23 119.796 119.654 0.142 1
1 175 . 13 1 1 A 24 24 ILE H H 24 8.044 7.277 0.767 1
1 176 . 13 1 1 A 24 24 ILE HA H 24 3.849 3.609 0.240 1
1 186 . 13 1 1 A 24 24 ILE C C 24 177.615 176.971 0.644 1
1 187 . 13 1 1 A 24 24 ILE CA C 24 63.257 64.994 -1.737 1
1 188 . 13 1 1 A 24 24 ILE CB C 24 36.400 37.897 -1.497 1
1 192 . 13 1 1 A 24 24 ILE N N 24 124.085 121.100 2.985 1
1 193 . 13 1 1 A 25 25 ASP H H 25 7.641 7.154 0.487 1
1 194 . 13 1 1 A 25 25 ASP HA H 25 4.492 4.712 -0.220 1
1 197 . 13 1 1 A 25 25 ASP C C 25 175.486 175.075 0.411 1
1 198 . 13 1 1 A 25 25 ASP CA C 25 54.313 53.051 1.262 1
1 199 . 13 1 1 A 25 25 ASP CB C 25 40.789 41.832 -1.043 1
1 200 . 13 1 1 A 25 25 ASP N N 25 118.371 118.360 0.011 1
1 201 . 13 1 1 A 26 26 GLN H H 26 7.340 7.656 -0.316 1
1 202 . 13 1 1 A 26 26 GLN HA H 26 2.828 3.157 -0.329 1
1 209 . 13 1 1 A 26 26 GLN C C 26 173.882 174.541 -0.659 1
1 210 . 13 1 1 A 26 26 GLN CA C 26 55.956 56.571 -0.615 1
1 211 . 13 1 1 A 26 26 GLN CB C 26 25.070 26.774 -1.704 1
1 213 . 13 1 1 A 26 26 GLN N N 26 116.358 116.032 0.326 1
1 215 . 13 1 1 A 27 27 LYS H H 27 6.283 6.647 -0.364 1
1 216 . 13 1 1 A 27 27 LYS HA H 27 4.395 4.876 -0.481 1
1 225 . 13 1 1 A 27 27 LYS C C 27 173.510 174.111 -0.601 1
1 226 . 13 1 1 A 27 27 LYS CA C 27 54.164 55.076 -0.912 1
1 227 . 13 1 1 A 27 27 LYS CB C 27 35.825 34.245 1.580 1
1 231 . 13 1 1 A 27 27 LYS N N 27 114.611 113.811 0.800 1
1 232 . 13 1 1 A 28 28 TRP H H 28 8.751 8.800 -0.049 1
1 233 . 13 1 1 A 28 28 TRP HA H 28 5.383 5.646 -0.263 1
1 242 . 13 1 1 A 28 28 TRP C C 28 177.411 176.646 0.765 1
1 243 . 13 1 1 A 28 28 TRP CA C 28 55.957 55.634 0.323 1
1 244 . 13 1 1 A 28 28 TRP CB C 28 30.752 31.496 -0.744 1
1 250 . 13 1 1 A 28 28 TRP N N 28 121.520 119.717 1.803 1
1 252 . 13 1 1 A 29 29 THR H H 29 9.413 9.144 0.269 1
1 253 . 13 1 1 A 29 29 THR HA H 29 4.852 5.069 -0.217 1
1 258 . 13 1 1 A 29 29 THR C C 29 173.520 172.592 0.928 1
1 259 . 13 1 1 A 29 29 THR CA C 29 60.308 59.663 0.645 1
1 260 . 13 1 1 A 29 29 THR CB C 29 69.736 70.963 -1.227 1
1 262 . 13 1 1 A 29 29 THR N N 29 117.059 113.938 3.121 1
1 263 . 13 1 1 A 30 30 ARG H H 30 9.117 8.525 0.592 1
1 264 . 13 1 1 A 30 30 ARG HA H 30 4.790 4.188 0.602 1
1 272 . 13 1 1 A 30 30 ARG C C 30 174.447 174.659 -0.212 1
1 273 . 13 1 1 A 30 30 ARG CA C 30 55.949 54.542 1.407 1
1 274 . 13 1 1 A 30 30 ARG CB C 30 33.388 31.377 2.011 1
1 277 . 13 1 1 A 30 30 ARG N N 30 126.027 121.552 4.475 1
1 278 . 13 1 1 A 31 31 HIS H H 31 9.011 8.508 0.503 1
1 279 . 13 1 1 A 31 31 HIS HA H 31 4.636 4.810 -0.174 1
1 282 . 13 1 1 A 31 31 HIS C C 31 173.947 173.436 0.511 1
1 283 . 13 1 1 A 31 31 HIS CA C 31 55.185 54.711 0.474 1
1 284 . 13 1 1 A 31 31 HIS CB C 31 33.332 33.775 -0.443 1
1 285 . 13 1 1 A 31 31 HIS N N 31 121.017 123.747 -2.730 1
1 286 . 13 1 1 A 32 32 TYR H H 32 9.361 9.072 0.289 1
1 287 . 13 1 1 A 32 32 TYR HA H 32 4.745 4.904 -0.159 1
1 294 . 13 1 1 A 32 32 TYR C C 32 176.298 174.529 1.769 1
1 295 . 13 1 1 A 32 32 TYR CA C 32 59.316 56.658 2.658 1
1 296 . 13 1 1 A 32 32 TYR CB C 32 39.341 39.347 -0.006 1
1 301 . 13 1 1 A 32 32 TYR N N 32 124.440 123.666 0.774 1
1 302 . 13 1 1 A 33 33 CYS H H 33 8.750 8.330 0.420 1
1 303 . 13 1 1 A 33 33 CYS HA H 33 5.857 5.070 0.787 1
1 306 . 13 1 1 A 33 33 CYS C C 33 172.735 174.018 -1.283 1
1 307 . 13 1 1 A 33 33 CYS CA C 33 57.108 57.965 -0.857 1
1 308 . 13 1 1 A 33 33 CYS CB C 33 32.779 29.573 3.206 1
1 309 . 13 1 1 A 33 33 CYS N N 33 127.462 126.679 0.783 1
1 310 . 13 1 1 A 34 34 ALA H H 34 8.565 8.593 -0.028 1
1 311 . 13 1 1 A 34 34 ALA HA H 34 5.290 4.949 0.341 1
1 315 . 13 1 1 A 34 34 ALA C C 34 176.215 175.805 0.410 1
1 316 . 13 1 1 A 34 34 ALA CA C 34 51.773 52.008 -0.235 1
1 317 . 13 1 1 A 34 34 ALA CB C 34 23.139 21.511 1.628 1
1 318 . 13 1 1 A 34 34 ALA N N 34 121.115 122.795 -1.680 1
1 319 . 13 1 1 A 35 35 ILE H H 35 8.413 9.083 -0.670 1
1 320 . 13 1 1 A 35 35 ILE HA H 35 5.275 4.804 0.471 1
1 330 . 13 1 1 A 35 35 ILE C C 35 175.768 175.121 0.647 1
1 331 . 13 1 1 A 35 35 ILE CA C 35 60.105 60.584 -0.479 1
1 332 . 13 1 1 A 35 35 ILE CB C 35 39.737 37.902 1.835 1
1 336 . 13 1 1 A 35 35 ILE N N 35 120.176 123.656 -3.480 1
1 337 . 13 1 1 A 36 36 ALA H H 36 8.666 8.548 0.118 1
1 338 . 13 1 1 A 36 36 ALA HA H 36 4.581 4.704 -0.123 1
1 342 . 13 1 1 A 36 36 ALA CA C 36 52.028 51.062 0.966 1
1 343 . 13 1 1 A 36 36 ALA CB C 36 21.365 20.420 0.945 1
1 344 . 13 1 1 A 36 36 ALA N N 36 129.732 131.913 -2.181 1
1 345 . 13 1 1 A 37 37 ASP H H 37 9.379 9.059 0.320 1
1 346 . 13 1 1 A 37 37 ASP HA H 37 4.228 4.438 -0.210 1
1 349 . 13 1 1 A 37 37 ASP C C 37 174.579 175.663 -1.084 1
1 350 . 13 1 1 A 37 37 ASP CA C 37 55.822 56.870 -1.048 1
1 351 . 13 1 1 A 37 37 ASP CB C 37 39.784 40.326 -0.542 1
1 352 . 13 1 1 A 37 37 ASP N N 37 124.926 122.617 2.309 1
1 353 . 13 1 1 A 38 38 ALA H H 38 8.710 8.301 0.409 1
1 354 . 13 1 1 A 38 38 ALA HA H 38 3.911 4.471 -0.560 1
1 358 . 13 1 1 A 38 38 ALA C C 38 174.866 176.811 -1.945 1
1 359 . 13 1 1 A 38 38 ALA CA C 38 53.040 51.658 1.382 1
1 360 . 13 1 1 A 38 38 ALA CB C 38 17.654 21.328 -3.674 1
1 361 . 13 1 1 A 38 38 ALA N N 38 115.547 127.009 -11.462 1
1 362 . 13 1 1 A 39 39 LYS H H 39 8.054 7.879 0.175 1
1 363 . 13 1 1 A 39 39 LYS HA H 39 5.247 4.893 0.354 1
1 372 . 13 1 1 A 39 39 LYS C C 39 175.201 174.808 0.393 1
1 373 . 13 1 1 A 39 39 LYS CA C 39 54.583 54.611 -0.028 1
1 374 . 13 1 1 A 39 39 LYS CB C 39 34.824 34.808 0.016 1
1 378 . 13 1 1 A 39 39 LYS N N 39 117.589 117.321 0.268 1
1 379 . 13 1 1 A 40 40 LEU H H 40 9.090 8.655 0.435 1
1 380 . 13 1 1 A 40 40 LEU HA H 40 5.353 5.131 0.222 1
1 390 . 13 1 1 A 40 40 LEU C C 40 175.382 174.928 0.454 1
1 391 . 13 1 1 A 40 40 LEU CA C 40 53.987 53.637 0.350 1
1 392 . 13 1 1 A 40 40 LEU CB C 40 45.718 44.611 1.107 1
1 396 . 13 1 1 A 40 40 LEU N N 40 126.300 124.587 1.713 1
1 397 . 13 1 1 A 41 41 SER H H 41 9.539 9.038 0.501 1
1 398 . 13 1 1 A 41 41 SER HA H 41 5.493 5.071 0.422 1
1 401 . 13 1 1 A 41 41 SER C C 41 173.435 173.863 -0.428 1
1 402 . 13 1 1 A 41 41 SER CA C 41 56.816 57.890 -1.074 1
1 403 . 13 1 1 A 41 41 SER CB C 41 65.706 63.880 1.826 1
1 404 . 13 1 1 A 41 41 SER N N 41 123.399 124.531 -1.132 1
1 405 . 13 1 1 A 42 42 PHE H H 42 8.344 8.430 -0.086 1
1 406 . 13 1 1 A 42 42 PHE HA H 42 5.888 5.460 0.428 1
1 414 . 13 1 1 A 42 42 PHE C C 42 175.198 174.111 1.087 1
1 415 . 13 1 1 A 42 42 PHE CA C 42 54.335 55.483 -1.148 1
1 416 . 13 1 1 A 42 42 PHE CB C 42 43.360 40.977 2.383 1
1 422 . 13 1 1 A 42 42 PHE N N 42 117.935 123.698 -5.763 1
1 423 . 13 1 1 A 43 43 SER H H 43 8.843 8.794 0.049 1
1 424 . 13 1 1 A 43 43 SER HA H 43 4.918 4.907 0.011 1
1 427 . 13 1 1 A 43 43 SER C C 43 175.040 173.346 1.694 1
1 428 . 13 1 1 A 43 43 SER CA C 43 58.215 56.711 1.504 1
1 429 . 13 1 1 A 43 43 SER CB C 43 66.789 65.200 1.589 1
1 430 . 13 1 1 A 43 43 SER N N 43 117.280 117.816 -0.536 1
1 431 . 13 1 1 A 44 44 ASP H H 44 8.818 8.553 0.265 1
1 432 . 13 1 1 A 44 44 ASP HA H 44 4.909 4.676 0.233 1
1 435 . 13 1 1 A 44 44 ASP C C 44 175.955 175.561 0.394 1
1 436 . 13 1 1 A 44 44 ASP CA C 44 54.815 53.821 0.994 1
1 437 . 13 1 1 A 44 44 ASP CB C 44 41.729 41.263 0.466 1
1 438 . 13 1 1 A 44 44 ASP N N 44 120.846 122.802 -1.956 1
1 439 . 13 1 1 A 45 45 ASP H H 45 8.726 8.618 0.108 1
1 440 . 13 1 1 A 45 45 ASP HA H 45 4.273 4.708 -0.435 1
1 443 . 13 1 1 A 45 45 ASP C C 45 177.889 177.236 0.653 1
1 444 . 13 1 1 A 45 45 ASP CA C 45 54.145 54.939 -0.794 1
1 445 . 13 1 1 A 45 45 ASP CB C 45 41.329 41.550 -0.221 1
1 446 . 13 1 1 A 45 45 ASP N N 45 120.848 120.406 0.442 1
1 447 . 13 1 1 A 46 46 ILE H H 46 8.369 8.504 -0.135 1
1 448 . 13 1 1 A 46 46 ILE HA H 46 4.079 4.424 -0.345 1
1 458 . 13 1 1 A 46 46 ILE C C 46 177.339 176.801 0.538 1
1 459 . 13 1 1 A 46 46 ILE CA C 46 62.357 61.536 0.821 1
1 460 . 13 1 1 A 46 46 ILE CB C 46 38.708 39.451 -0.743 1
1 464 . 13 1 1 A 46 46 ILE N N 46 123.832 117.329 6.503 1
1 465 . 13 1 1 A 47 47 GLU H H 47 8.577 8.139 0.438 1
1 466 . 13 1 1 A 47 47 GLU HA H 47 4.258 4.651 -0.393 1
1 471 . 13 1 1 A 47 47 GLU C C 47 177.164 177.049 0.115 1
1 472 . 13 1 1 A 47 47 GLU CA C 47 57.249 56.791 0.458 1
1 473 . 13 1 1 A 47 47 GLU CB C 47 29.900 31.835 -1.935 1
1 475 . 13 1 1 A 47 47 GLU N N 47 122.294 119.200 3.094 1
1 476 . 13 1 1 A 48 48 GLN H H 48 7.894 7.829 0.065 1
1 477 . 13 1 1 A 48 48 GLN HA H 48 4.365 4.533 -0.168 1
1 484 . 13 1 1 A 48 48 GLN C C 48 176.278 175.035 1.243 1
1 485 . 13 1 1 A 48 48 GLN CA C 48 55.830 55.054 0.776 1
1 486 . 13 1 1 A 48 48 GLN CB C 48 29.383 28.630 0.753 1
1 488 . 13 1 1 A 48 48 GLN N N 48 118.968 117.843 1.125 1
1 490 . 13 1 1 A 49 49 THR H H 49 8.048 7.483 0.565 1
1 491 . 13 1 1 A 49 49 THR HA H 49 4.331 4.150 0.181 1
1 496 . 13 1 1 A 49 49 THR C C 49 174.784 174.708 0.076 1
1 497 . 13 1 1 A 49 49 THR CA C 49 62.135 62.426 -0.291 1
1 498 . 13 1 1 A 49 49 THR CB C 49 69.736 69.671 0.065 1
1 500 . 13 1 1 A 49 49 THR N N 49 114.601 112.895 1.706 1
1 501 . 13 1 1 A 50 50 MET H H 50 8.409 8.603 -0.194 1
1 502 . 13 1 1 A 50 50 MET HA H 50 4.510 4.778 -0.268 1
1 510 . 13 1 1 A 50 50 MET C C 50 176.451 176.093 0.358 1
1 511 . 13 1 1 A 50 50 MET CA C 50 55.601 54.119 1.482 1
1 512 . 13 1 1 A 50 50 MET CB C 50 32.850 31.636 1.214 1
1 515 . 13 1 1 A 50 50 MET N N 50 122.660 121.714 0.946 1
1 516 . 13 1 1 A 51 51 GLU H H 51 8.418 7.577 0.841 1
1 517 . 13 1 1 A 51 51 GLU HA H 51 4.272 4.240 0.032 1
1 522 . 13 1 1 A 51 51 GLU C C 51 176.777 177.033 -0.256 1
1 523 . 13 1 1 A 51 51 GLU CA C 51 56.680 56.849 -0.169 1
1 524 . 13 1 1 A 51 51 GLU CB C 51 30.262 30.007 0.255 1
1 526 . 13 1 1 A 51 51 GLU N N 51 121.650 119.870 1.780 1
1 527 . 13 1 1 A 52 52 GLU H H 52 8.325 8.994 -0.669 1
1 528 . 13 1 1 A 52 52 GLU HA H 52 4.174 3.990 0.184 1
1 533 . 13 1 1 A 52 52 GLU C C 52 176.178 177.405 -1.227 1
1 534 . 13 1 1 A 52 52 GLU N N 52 120.869 125.050 -4.181 1
1 535 . 13 1 1 A 53 53 ASP H H 53 8.320 7.946 0.374 1
1 536 . 13 1 1 A 53 53 ASP HA H 53 4.527 4.772 -0.245 1
1 539 . 13 1 1 A 53 53 ASP C C 53 175.650 174.727 0.923 1
1 540 . 13 1 1 A 53 53 ASP CA C 53 54.322 53.738 0.584 1
1 541 . 13 1 1 A 53 53 ASP CB C 53 41.040 40.834 0.206 1
1 542 . 13 1 1 A 53 53 ASP N N 53 119.656 116.373 3.283 1
1 543 . 13 1 1 A 54 54 ASN H H 54 8.134 8.089 0.045 1
1 544 . 13 1 1 A 54 54 ASN HA H 54 4.970 4.412 0.558 1
1 549 . 13 1 1 A 54 54 ASN CA C 54 51.120 53.883 -2.763 1
1 550 . 13 1 1 A 54 54 ASN CB C 54 39.125 36.969 2.156 1
1 551 . 13 1 1 A 54 54 ASN N N 54 118.436 113.719 4.717 1
1 553 . 13 1 1 A 55 55 PRO HA H 55 4.394 4.420 -0.026 1
1 560 . 13 1 1 A 55 55 PRO C C 55 177.514 176.889 0.625 1
1 561 . 13 1 1 A 55 55 PRO CA C 55 63.910 65.196 -1.286 1
1 562 . 13 1 1 A 55 55 PRO CB C 55 32.077 31.739 0.338 1
1 565 . 13 1 1 A 56 56 LEU H H 56 8.181 7.582 0.599 1
1 566 . 13 1 1 A 56 56 LEU HA H 56 4.268 4.698 -0.430 1
1 576 . 13 1 1 A 56 56 LEU C C 56 178.176 174.430 3.746 1
1 577 . 13 1 1 A 56 56 LEU CA C 56 55.542 54.048 1.494 1
1 578 . 13 1 1 A 56 56 LEU CB C 56 41.783 45.686 -3.903 1
1 582 . 13 1 1 A 56 56 LEU N N 56 120.122 116.489 3.633 1
1 583 . 13 1 1 A 57 57 GLY H H 57 8.071 8.788 -0.717 1
1 584 . 13 1 1 A 57 57 GLY HA2 H 57 3.946 4.191 -0.245 1
1 585 . 13 1 1 A 57 57 GLY HA3 H 57 3.946 4.195 -0.249 1
1 586 . 13 1 1 A 57 57 GLY C C 57 174.306 172.867 1.439 1
1 587 . 13 1 1 A 57 57 GLY CA C 57 45.460 45.834 -0.374 1
1 588 . 13 1 1 A 57 57 GLY N N 57 108.437 112.655 -4.218 1
1 589 . 13 1 1 A 58 58 SER H H 58 8.170 8.566 -0.396 1
1 590 . 13 1 1 A 58 58 SER HA H 58 4.460 4.518 -0.058 1
1 593 . 13 1 1 A 58 58 SER C C 58 174.785 174.148 0.637 1
1 594 . 13 1 1 A 58 58 SER CA C 58 58.319 58.341 -0.022 1
1 595 . 13 1 1 A 58 58 SER CB C 58 63.792 63.735 0.057 1
1 596 . 13 1 1 A 58 58 SER N N 58 115.478 118.905 -3.427 1
1 597 . 13 1 1 A 59 59 LEU H H 59 8.278 8.696 -0.418 1
1 598 . 13 1 1 A 59 59 LEU HA H 59 4.384 4.188 0.196 1
1 608 . 13 1 1 A 59 59 LEU CA C 59 55.219 55.581 -0.362 1
1 609 . 13 1 1 A 59 59 LEU CB C 59 42.377 42.805 -0.428 1
1 613 . 13 1 1 A 59 59 LEU N N 59 124.033 125.217 -1.184 1
1 614 . 13 1 1 A 60 60 CYS H H 60 8.331 8.759 -0.428 1
1 615 . 13 1 1 A 60 60 CYS HA H 60 4.398 4.090 0.308 1
1 618 . 13 1 1 A 60 60 CYS C C 60 174.142 174.664 -0.522 1
1 619 . 13 1 1 A 60 60 CYS CA C 60 58.505 59.756 -1.251 1
1 620 . 13 1 1 A 60 60 CYS CB C 60 27.338 26.496 0.842 1
1 621 . 13 1 1 A 60 60 CYS N N 60 120.390 118.349 2.041 1
1 622 . 13 1 1 A 61 61 ARG H H 61 8.632 8.556 0.076 1
1 623 . 13 1 1 A 61 61 ARG HA H 61 4.337 4.254 0.083 1
1 630 . 13 1 1 A 61 61 ARG C C 61 176.096 175.839 0.257 1
1 631 . 13 1 1 A 61 61 ARG CA C 61 56.003 56.792 -0.789 1
1 632 . 13 1 1 A 61 61 ARG CB C 61 30.757 32.045 -1.288 1
1 635 . 13 1 1 A 61 61 ARG N N 61 125.869 126.730 -0.861 1
1 636 . 13 1 1 A 62 62 GLY H H 62 7.263 6.688 0.575 1
1 637 . 13 1 1 A 62 62 GLY HA2 H 62 3.008 3.400 -0.392 1
1 638 . 13 1 1 A 62 62 GLY HA3 H 62 3.875 3.785 0.090 1
1 639 . 13 1 1 A 62 62 GLY C C 62 170.609 170.930 -0.321 1
1 640 . 13 1 1 A 62 62 GLY CA C 62 44.808 44.920 -0.112 1
1 641 . 13 1 1 A 62 62 GLY N N 62 107.908 105.403 2.505 1
1 642 . 13 1 1 A 63 63 ILE H H 63 7.895 8.581 -0.686 1
1 643 . 13 1 1 A 63 63 ILE HA H 63 4.843 4.853 -0.010 1
1 653 . 13 1 1 A 63 63 ILE C C 63 175.450 174.590 0.860 1
1 654 . 13 1 1 A 63 63 ILE CA C 63 60.322 59.516 0.806 1
1 655 . 13 1 1 A 63 63 ILE CB C 63 41.957 40.633 1.324 1
1 659 . 13 1 1 A 63 63 ILE N N 63 117.987 121.772 -3.785 1
1 660 . 13 1 1 A 64 64 LEU H H 64 9.429 9.402 0.027 1
1 661 . 13 1 1 A 64 64 LEU HA H 64 4.916 5.062 -0.146 1
1 671 . 13 1 1 A 64 64 LEU C C 64 176.136 175.246 0.890 1
1 672 . 13 1 1 A 64 64 LEU CA C 64 53.059 53.656 -0.597 1
1 673 . 13 1 1 A 64 64 LEU CB C 64 43.788 43.818 -0.030 1
1 677 . 13 1 1 A 64 64 LEU N N 64 127.063 128.899 -1.836 1
1 678 . 13 1 1 A 65 65 ASP H H 65 9.241 9.047 0.194 1
1 679 . 13 1 1 A 65 65 ASP HA H 65 4.818 4.677 0.141 1
1 682 . 13 1 1 A 65 65 ASP C C 65 177.925 176.419 1.506 1
1 683 . 13 1 1 A 65 65 ASP CA C 65 53.628 54.426 -0.798 1
1 684 . 13 1 1 A 65 65 ASP CB C 65 40.307 40.429 -0.122 1
1 685 . 13 1 1 A 65 65 ASP N N 65 122.728 125.573 -2.845 1
1 686 . 13 1 1 A 66 66 LEU H H 66 8.766 8.584 0.182 1
1 687 . 13 1 1 A 66 66 LEU HA H 66 4.212 4.521 -0.309 1
1 697 . 13 1 1 A 66 66 LEU C C 66 177.167 177.337 -0.170 1
1 698 . 13 1 1 A 66 66 LEU CA C 66 57.854 55.434 2.420 1
1 699 . 13 1 1 A 66 66 LEU CB C 66 41.006 41.177 -0.171 1
1 703 . 13 1 1 A 66 66 LEU N N 66 126.997 126.896 0.101 1
1 704 . 13 1 1 A 67 67 ASN H H 67 8.585 8.187 0.398 1
1 705 . 13 1 1 A 67 67 ASN HA H 67 4.721 4.855 -0.134 1
1 710 . 13 1 1 A 67 67 ASN C C 67 176.583 175.744 0.839 1
1 711 . 13 1 1 A 67 67 ASN CA C 67 55.648 53.725 1.923 1
1 712 . 13 1 1 A 67 67 ASN CB C 67 38.464 39.998 -1.534 1
1 713 . 13 1 1 A 67 67 ASN N N 67 113.883 115.848 -1.965 1
1 715 . 13 1 1 A 68 68 THR H H 68 8.007 7.847 0.160 1
1 716 . 13 1 1 A 68 68 THR HA H 68 4.513 4.578 -0.065 1
1 721 . 13 1 1 A 68 68 THR C C 68 172.870 173.535 -0.665 1
1 722 . 13 1 1 A 68 68 THR CA C 68 61.441 60.021 1.420 1
1 723 . 13 1 1 A 68 68 THR CB C 68 69.432 68.763 0.669 1
1 725 . 13 1 1 A 68 68 THR N N 68 108.340 106.182 2.158 1
1 726 . 13 1 1 A 69 69 TYR H H 69 7.560 8.372 -0.812 1
1 727 . 13 1 1 A 69 69 TYR HA H 69 5.199 5.478 -0.279 1
1 734 . 13 1 1 A 69 69 TYR C C 69 174.283 174.504 -0.221 1
1 735 . 13 1 1 A 69 69 TYR CA C 69 57.848 56.400 1.448 1
1 736 . 13 1 1 A 69 69 TYR CB C 69 44.393 43.609 0.784 1
1 741 . 13 1 1 A 69 69 TYR N N 69 119.888 122.226 -2.338 1
1 742 . 13 1 1 A 70 70 ASN H H 70 9.116 9.071 0.045 1
1 743 . 13 1 1 A 70 70 ASN HA H 70 5.162 5.403 -0.241 1
1 748 . 13 1 1 A 70 70 ASN C C 70 174.340 174.297 0.043 1
1 749 . 13 1 1 A 70 70 ASN CA C 70 52.364 52.584 -0.220 1
1 750 . 13 1 1 A 70 70 ASN CB C 70 42.062 42.962 -0.900 1
1 751 . 13 1 1 A 70 70 ASN N N 70 116.071 117.685 -1.614 1
1 753 . 13 1 1 A 71 71 VAL H H 71 8.564 9.353 -0.789 1
1 754 . 13 1 1 A 71 71 VAL HA H 71 5.766 4.945 0.821 1
1 762 . 13 1 1 A 71 71 VAL C C 71 173.261 175.936 -2.675 1
1 763 . 13 1 1 A 71 71 VAL CA C 71 59.076 62.181 -3.105 1
1 764 . 13 1 1 A 71 71 VAL CB C 71 34.982 32.906 2.076 1
1 767 . 13 1 1 A 71 71 VAL N N 71 120.784 124.741 -3.957 1
1 768 . 13 1 1 A 72 72 VAL H H 72 9.308 8.780 0.528 1
1 769 . 13 1 1 A 72 72 VAL HA H 72 4.806 4.837 -0.031 1
1 777 . 13 1 1 A 72 72 VAL C C 72 175.047 174.107 0.940 1
1 778 . 13 1 1 A 72 72 VAL CA C 72 60.330 59.926 0.404 1
1 779 . 13 1 1 A 72 72 VAL CB C 72 36.467 34.889 1.578 1
1 782 . 13 1 1 A 72 72 VAL N N 72 125.272 121.503 3.769 1
1 783 . 13 1 1 A 73 73 LYS H H 73 8.793 8.338 0.455 1
1 784 . 13 1 1 A 73 73 LYS HA H 73 4.652 3.015 1.637 1
1 793 . 13 1 1 A 73 73 LYS C C 73 176.241 174.598 1.643 1
1 794 . 13 1 1 A 73 73 LYS CA C 73 55.799 55.749 0.050 1
1 795 . 13 1 1 A 73 73 LYS CB C 73 33.452 32.218 1.234 1
1 799 . 13 1 1 A 73 73 LYS N N 73 124.197 126.506 -2.309 1
1 800 . 13 1 1 A 74 74 ALA H H 74 8.172 8.302 -0.130 1
1 801 . 13 1 1 A 74 74 ALA HA H 74 4.849 4.493 0.356 1
1 805 . 13 1 1 A 74 74 ALA CA C 74 49.540 50.128 -0.588 1
1 806 . 13 1 1 A 74 74 ALA CB C 74 17.685 19.636 -1.951 1
1 807 . 13 1 1 A 74 74 ALA N N 74 128.026 129.506 -1.480 1
1 808 . 13 1 1 A 75 75 PRO HA H 75 4.351 4.549 -0.198 1
1 815 . 13 1 1 A 75 75 PRO CA C 75 65.256 62.894 2.362 1
1 816 . 13 1 1 A 75 75 PRO CB C 75 32.158 32.680 -0.522 1
1 819 . 13 1 1 A 76 76 GLN H H 76 8.660 9.012 -0.352 1
1 820 . 13 1 1 A 76 76 GLN HA H 76 4.561 3.916 0.645 1
1 825 . 13 1 1 A 76 76 GLN C C 76 176.426 175.816 0.610 1
1 826 . 13 1 1 A 76 76 GLN CA C 76 55.168 57.325 -2.157 1
1 827 . 13 1 1 A 76 76 GLN CB C 76 28.925 26.901 2.024 1
1 829 . 13 1 1 A 76 76 GLN N N 76 116.110 115.579 0.531 1
1 830 . 13 1 1 A 77 77 GLY H H 77 7.527 8.568 -1.041 1
1 831 . 13 1 1 A 77 77 GLY HA2 H 77 3.382 3.913 -0.531 1
1 832 . 13 1 1 A 77 77 GLY HA3 H 77 4.505 3.972 0.533 1
1 833 . 13 1 1 A 77 77 GLY C C 77 172.487 172.619 -0.132 1
1 834 . 13 1 1 A 77 77 GLY CA C 77 44.852 44.761 0.091 1
1 835 . 13 1 1 A 77 77 GLY N N 77 107.608 107.469 0.139 1
1 836 . 13 1 1 A 78 78 LYS H H 78 8.123 8.320 -0.197 1
1 837 . 13 1 1 A 78 78 LYS HA H 78 4.191 4.684 -0.493 1
1 846 . 13 1 1 A 78 78 LYS C C 78 175.300 175.973 -0.673 1
1 847 . 13 1 1 A 78 78 LYS CA C 78 56.737 55.555 1.182 1
1 848 . 13 1 1 A 78 78 LYS CB C 78 35.900 35.485 0.415 1
1 852 . 13 1 1 A 78 78 LYS N N 78 117.756 119.859 -2.103 1
1 853 . 13 1 1 A 79 79 ASN H H 79 9.105 8.898 0.207 1
1 854 . 13 1 1 A 79 79 ASN HA H 79 4.099 4.244 -0.145 1
1 859 . 13 1 1 A 79 79 ASN C C 79 175.098 174.970 0.128 1
1 860 . 13 1 1 A 79 79 ASN CA C 79 54.563 55.514 -0.951 1
1 861 . 13 1 1 A 79 79 ASN CB C 79 37.353 37.126 0.227 1
1 862 . 13 1 1 A 79 79 ASN N N 79 120.643 121.645 -1.002 1
1 864 . 13 1 1 A 80 80 GLN H H 80 8.608 8.582 0.026 1
1 865 . 13 1 1 A 80 80 GLN HA H 80 3.648 4.475 -0.827 1
1 870 . 13 1 1 A 80 80 GLN C C 80 175.327 174.908 0.419 1
1 871 . 13 1 1 A 80 80 GLN CA C 80 57.975 55.522 2.453 1
1 872 . 13 1 1 A 80 80 GLN CB C 80 26.506 30.346 -3.840 1
1 874 . 13 1 1 A 80 80 GLN N N 80 108.385 118.864 -10.479 1
1 875 . 13 1 1 A 81 81 LYS H H 81 7.608 7.612 -0.004 1
1 876 . 13 1 1 A 81 81 LYS HA H 81 4.325 4.533 -0.208 1
1 885 . 13 1 1 A 81 81 LYS C C 81 176.242 175.913 0.329 1
1 886 . 13 1 1 A 81 81 LYS CA C 81 54.186 54.336 -0.150 1
1 887 . 13 1 1 A 81 81 LYS CB C 81 33.385 34.479 -1.094 1
1 891 . 13 1 1 A 81 81 LYS N N 81 119.675 119.378 0.297 1
1 892 . 13 1 1 A 82 82 SER H H 82 7.692 8.166 -0.474 1
1 893 . 13 1 1 A 82 82 SER HA H 82 3.850 4.442 -0.592 1
1 896 . 13 1 1 A 82 82 SER C C 82 174.045 174.081 -0.036 1
1 897 . 13 1 1 A 82 82 SER CA C 82 60.984 57.972 3.012 1
1 898 . 13 1 1 A 82 82 SER CB C 82 62.962 63.964 -1.002 1
1 899 . 13 1 1 A 82 82 SER N N 82 117.008 113.868 3.140 1
1 900 . 13 1 1 A 83 83 PHE H H 83 8.545 7.483 1.062 1
1 901 . 13 1 1 A 83 83 PHE HA H 83 4.921 5.249 -0.328 1
1 908 . 13 1 1 A 83 83 PHE C C 83 172.686 174.546 -1.860 1
1 909 . 13 1 1 A 83 83 PHE CA C 83 55.383 56.621 -1.238 1
1 910 . 13 1 1 A 83 83 PHE CB C 83 37.774 40.441 -2.667 1
1 915 . 13 1 1 A 83 83 PHE N N 83 124.073 120.970 3.103 1
1 916 . 13 1 1 A 84 84 VAL H H 84 8.420 8.760 -0.340 1
1 917 . 13 1 1 A 84 84 VAL HA H 84 5.348 5.076 0.272 1
1 925 . 13 1 1 A 84 84 VAL C C 84 175.816 174.887 0.929 1
1 926 . 13 1 1 A 84 84 VAL CA C 84 60.177 60.611 -0.434 1
1 927 . 13 1 1 A 84 84 VAL CB C 84 37.646 35.968 1.678 1
1 930 . 13 1 1 A 84 84 VAL N N 84 123.085 123.214 -0.129 1
1 931 . 13 1 1 A 85 85 PHE H H 85 8.812 8.942 -0.130 1
1 932 . 13 1 1 A 85 85 PHE HA H 85 5.510 5.271 0.239 1
1 940 . 13 1 1 A 85 85 PHE C C 85 171.610 175.414 -3.804 1
1 941 . 13 1 1 A 85 85 PHE CA C 85 55.360 55.814 -0.454 1
1 942 . 13 1 1 A 85 85 PHE CB C 85 41.424 43.191 -1.767 1
1 948 . 13 1 1 A 85 85 PHE N N 85 122.454 124.730 -2.276 1
1 949 . 13 1 1 A 86 86 ILE H H 86 9.406 8.892 0.514 1
1 950 . 13 1 1 A 86 86 ILE HA H 86 4.844 5.041 -0.197 1
1 960 . 13 1 1 A 86 86 ILE C C 86 175.559 174.672 0.887 1
1 961 . 13 1 1 A 86 86 ILE CA C 86 60.323 60.316 0.007 1
1 962 . 13 1 1 A 86 86 ILE CB C 86 42.374 42.584 -0.210 1
1 966 . 13 1 1 A 86 86 ILE N N 86 120.483 120.563 -0.080 1
1 967 . 13 1 1 A 87 87 LEU H H 87 9.450 9.335 0.115 1
1 968 . 13 1 1 A 87 87 LEU HA H 87 5.238 5.559 -0.321 1
1 978 . 13 1 1 A 87 87 LEU C C 87 175.145 175.847 -0.702 1
1 979 . 13 1 1 A 87 87 LEU CA C 87 52.778 53.517 -0.739 1
1 980 . 13 1 1 A 87 87 LEU CB C 87 40.657 43.342 -2.685 1
1 984 . 13 1 1 A 87 87 LEU N N 87 126.149 127.637 -1.488 1
1 985 . 13 1 1 A 88 88 GLU H H 88 9.120 9.095 0.025 1
1 986 . 13 1 1 A 88 88 GLU HA H 88 4.986 4.994 -0.008 1
1 991 . 13 1 1 A 88 88 GLU CA C 88 52.677 52.631 0.046 1
1 992 . 13 1 1 A 88 88 GLU CB C 88 31.511 30.768 0.743 1
1 994 . 13 1 1 A 88 88 GLU N N 88 126.028 124.573 1.455 1
1 995 . 13 1 1 A 89 89 PRO HA H 89 4.239 3.912 0.327 1
1 1002 . 13 1 1 A 89 89 PRO C C 89 177.398 176.958 0.440 1
1 1003 . 13 1 1 A 89 89 PRO CA C 89 63.214 62.663 0.551 1
1 1004 . 13 1 1 A 89 89 PRO CB C 89 32.855 32.203 0.652 1
1 1007 . 13 1 1 A 90 90 LYS H H 90 8.166 8.626 -0.460 1
1 1008 . 13 1 1 A 90 90 LYS HA H 90 4.041 4.463 -0.422 1
1 1017 . 13 1 1 A 90 90 LYS C C 90 177.384 177.266 0.118 1
1 1018 . 13 1 1 A 90 90 LYS CA C 90 58.404 56.380 2.024 1
1 1019 . 13 1 1 A 90 90 LYS CB C 90 33.133 32.742 0.391 1
1 1023 . 13 1 1 A 90 90 LYS N N 90 121.350 121.025 0.325 1
1 1024 . 13 1 1 A 91 91 GLN H H 91 8.252 7.833 0.419 1
1 1025 . 13 1 1 A 91 91 GLN HA H 91 4.423 4.108 0.315 1
1 1032 . 13 1 1 A 91 91 GLN C C 91 175.039 176.543 -1.504 1
1 1033 . 13 1 1 A 91 91 GLN CA C 91 54.303 57.920 -3.617 1
1 1034 . 13 1 1 A 91 91 GLN CB C 91 29.208 29.014 0.194 1
1 1036 . 13 1 1 A 91 91 GLN N N 91 118.759 119.042 -0.283 1
1 1038 . 13 1 1 A 92 92 GLN H H 92 8.460 7.705 0.755 1
1 1039 . 13 1 1 A 92 92 GLN HA H 92 4.057 4.429 -0.372 1
1 1044 . 13 1 1 A 92 92 GLN C C 92 177.080 175.690 1.390 1
1 1045 . 13 1 1 A 92 92 GLN CA C 92 57.446 55.791 1.655 1
1 1046 . 13 1 1 A 92 92 GLN CB C 92 28.472 29.075 -0.603 1
1 1048 . 13 1 1 A 92 92 GLN N N 92 124.928 114.024 10.904 1
1 1049 . 13 1 1 A 93 93 GLY H H 93 8.870 7.857 1.013 1
1 1050 . 13 1 1 A 93 93 GLY HA2 H 93 3.639 4.011 -0.372 1
1 1051 . 13 1 1 A 93 93 GLY HA3 H 93 4.338 4.016 0.322 1
1 1052 . 13 1 1 A 93 93 GLY C C 93 174.298 174.110 0.188 1
1 1053 . 13 1 1 A 93 93 GLY CA C 93 45.336 45.298 0.038 1
1 1054 . 13 1 1 A 93 93 GLY N N 93 113.393 107.903 5.490 1
1 1055 . 13 1 1 A 94 94 ASP H H 94 7.546 7.447 0.099 1
1 1056 . 13 1 1 A 94 94 ASP HA H 94 5.056 4.722 0.334 1
1 1059 . 13 1 1 A 94 94 ASP CA C 94 52.662 52.901 -0.239 1
1 1060 . 13 1 1 A 94 94 ASP CB C 94 40.179 40.009 0.170 1
1 1061 . 13 1 1 A 94 94 ASP N N 94 123.111 121.086 2.025 1
1 1062 . 13 1 1 A 95 95 PRO HA H 95 4.933 4.717 0.216 1
1 1069 . 13 1 1 A 95 95 PRO CA C 95 61.243 61.459 -0.216 1
1 1070 . 13 1 1 A 95 95 PRO CB C 95 31.234 31.919 -0.685 1
1 1073 . 13 1 1 A 96 96 PRO HA H 96 5.190 5.036 0.154 1
1 1080 . 13 1 1 A 96 96 PRO C C 96 176.664 175.514 1.150 1
1 1081 . 13 1 1 A 96 96 PRO CA C 96 62.399 62.480 -0.081 1
1 1082 . 13 1 1 A 96 96 PRO CB C 96 32.850 33.024 -0.174 1
1 1085 . 13 1 1 A 97 97 VAL H H 97 8.448 8.279 0.169 1
1 1086 . 13 1 1 A 97 97 VAL HA H 97 4.145 4.669 -0.524 1
1 1094 . 13 1 1 A 97 97 VAL C C 97 174.020 174.846 -0.826 1
1 1095 . 13 1 1 A 97 97 VAL CA C 97 61.710 60.641 1.069 1
1 1096 . 13 1 1 A 97 97 VAL CB C 97 33.977 35.196 -1.219 1
1 1099 . 13 1 1 A 97 97 VAL N N 97 121.904 119.888 2.016 1
1 1100 . 13 1 1 A 98 98 GLU H H 98 8.599 8.643 -0.044 1
1 1101 . 13 1 1 A 98 98 GLU HA H 98 4.778 5.257 -0.479 1
1 1106 . 13 1 1 A 98 98 GLU C C 98 173.807 175.633 -1.826 1
1 1107 . 13 1 1 A 98 98 GLU CA C 98 55.674 55.171 0.503 1
1 1108 . 13 1 1 A 98 98 GLU CB C 98 30.827 32.407 -1.580 1
1 1110 . 13 1 1 A 98 98 GLU N N 98 126.577 126.590 -0.013 1
1 1111 . 13 1 1 A 99 99 PHE H H 99 8.701 9.309 -0.608 1
1 1112 . 13 1 1 A 99 99 PHE HA H 99 5.773 6.031 -0.258 1
1 1120 . 13 1 1 A 99 99 PHE C C 99 174.648 174.918 -0.270 1
1 1121 . 13 1 1 A 99 99 PHE CA C 99 55.799 56.925 -1.126 1
1 1122 . 13 1 1 A 99 99 PHE CB C 99 44.025 44.429 -0.404 1
1 1128 . 13 1 1 A 99 99 PHE N N 99 120.755 120.483 0.272 1
1 1129 . 13 1 1 A 100 100 ALA H H 100 8.737 8.808 -0.071 1
1 1130 . 13 1 1 A 100 100 ALA HA H 100 5.669 5.151 0.518 1
1 1134 . 13 1 1 A 100 100 ALA C C 100 176.491 176.133 0.358 1
1 1135 . 13 1 1 A 100 100 ALA CA C 100 49.850 51.608 -1.758 1
1 1136 . 13 1 1 A 100 100 ALA CB C 100 23.399 22.851 0.548 1
1 1137 . 13 1 1 A 100 100 ALA N N 100 118.211 122.182 -3.971 1
1 1138 . 13 1 1 A 101 101 THR H H 101 8.272 8.672 -0.400 1
1 1139 . 13 1 1 A 101 101 THR HA H 101 5.232 4.867 0.365 1
1 1144 . 13 1 1 A 101 101 THR C C 101 174.787 173.485 1.302 1
1 1145 . 13 1 1 A 101 101 THR CA C 101 59.068 60.334 -1.266 1
1 1146 . 13 1 1 A 101 101 THR CB C 101 70.089 72.462 -2.373 1
1 1148 . 13 1 1 A 101 101 THR N N 101 108.062 110.426 -2.364 1
1 1149 . 13 1 1 A 102 102 ASP H H 102 8.625 8.683 -0.058 1
1 1150 . 13 1 1 A 102 102 ASP HA H 102 5.009 4.909 0.100 1
1 1153 . 13 1 1 A 102 102 ASP C C 102 177.730 175.073 2.657 1
1 1154 . 13 1 1 A 102 102 ASP CA C 102 56.976 53.960 3.016 1
1 1155 . 13 1 1 A 102 102 ASP CB C 102 42.543 41.708 0.835 1
1 1156 . 13 1 1 A 102 102 ASP N N 102 118.482 118.167 0.315 1
1 1157 . 13 1 1 A 103 103 ARG H H 103 8.208 7.476 0.732 1
1 1158 . 13 1 1 A 103 103 ARG HA H 103 4.772 4.857 -0.085 1
1 1165 . 13 1 1 A 103 103 ARG C C 103 178.000 176.117 1.883 1
1 1166 . 13 1 1 A 103 103 ARG CA C 103 54.079 54.046 0.033 1
1 1167 . 13 1 1 A 103 103 ARG CB C 103 33.914 34.391 -0.477 1
1 1170 . 13 1 1 A 103 103 ARG N N 103 116.043 117.678 -1.635 1
1 1171 . 13 1 1 A 104 104 VAL H H 104 8.516 8.548 -0.032 1
1 1172 . 13 1 1 A 104 104 VAL HA H 104 2.857 3.695 -0.838 1
1 1180 . 13 1 1 A 104 104 VAL C C 104 176.158 177.788 -1.630 1
1 1181 . 13 1 1 A 104 104 VAL CA C 104 64.625 64.441 0.184 1
1 1182 . 13 1 1 A 104 104 VAL CB C 104 30.883 31.592 -0.709 1
1 1185 . 13 1 1 A 104 104 VAL N N 104 128.496 122.987 5.509 1
1 1186 . 13 1 1 A 105 105 GLU H H 105 9.414 8.129 1.285 1
1 1187 . 13 1 1 A 105 105 GLU HA H 105 3.989 4.075 -0.086 1
1 1192 . 13 1 1 A 105 105 GLU C C 105 179.982 179.637 0.345 1
1 1193 . 13 1 1 A 105 105 GLU CA C 105 60.599 59.561 1.038 1
1 1194 . 13 1 1 A 105 105 GLU CB C 105 27.973 29.497 -1.524 1
1 1196 . 13 1 1 A 105 105 GLU N N 105 121.934 122.296 -0.362 1
1 1197 . 13 1 1 A 106 106 GLU H H 106 6.769 8.247 -1.478 1
1 1198 . 13 1 1 A 106 106 GLU HA H 106 4.370 4.083 0.287 1
1 1203 . 13 1 1 A 106 106 GLU C C 106 178.312 179.279 -0.967 1
1 1204 . 13 1 1 A 106 106 GLU CA C 106 58.503 59.191 -0.688 1
1 1205 . 13 1 1 A 106 106 GLU CB C 106 30.657 29.282 1.375 1
1 1207 . 13 1 1 A 106 106 GLU N N 106 116.721 120.500 -3.779 1
1 1208 . 13 1 1 A 107 107 LEU H H 107 7.161 7.547 -0.386 1
1 1209 . 13 1 1 A 107 107 LEU HA H 107 4.040 4.169 -0.129 1
1 1219 . 13 1 1 A 107 107 LEU C C 107 177.985 178.322 -0.337 1
1 1220 . 13 1 1 A 107 107 LEU CA C 107 58.930 58.168 0.762 1
1 1221 . 13 1 1 A 107 107 LEU CB C 107 40.058 42.076 -2.018 1
1 1225 . 13 1 1 A 107 107 LEU N N 107 122.171 122.453 -0.282 1
1 1226 . 13 1 1 A 108 108 PHE H H 108 7.986 8.203 -0.217 1
1 1227 . 13 1 1 A 108 108 PHE HA H 108 4.199 4.051 0.148 1
1 1234 . 13 1 1 A 108 108 PHE C C 108 178.069 177.786 0.283 1
1 1235 . 13 1 1 A 108 108 PHE CA C 108 61.167 61.025 0.142 1
1 1236 . 13 1 1 A 108 108 PHE CB C 108 38.208 38.371 -0.163 1
1 1241 . 13 1 1 A 108 108 PHE N N 108 116.696 119.280 -2.584 1
1 1242 . 13 1 1 A 109 109 GLU H H 109 7.719 8.632 -0.913 1
1 1243 . 13 1 1 A 109 109 GLU HA H 109 3.951 4.019 -0.068 1
1 1248 . 13 1 1 A 109 109 GLU C C 109 179.858 178.986 0.872 1
1 1249 . 13 1 1 A 109 109 GLU CA C 109 59.664 59.148 0.516 1
1 1250 . 13 1 1 A 109 109 GLU CB C 109 29.923 29.406 0.517 1
1 1252 . 13 1 1 A 109 109 GLU N N 109 119.214 119.550 -0.336 1
1 1253 . 13 1 1 A 110 110 TRP H H 110 8.445 8.021 0.424 1
1 1254 . 13 1 1 A 110 110 TRP HA H 110 3.634 4.221 -0.587 1
1 1263 . 13 1 1 A 110 110 TRP C C 110 177.691 178.620 -0.929 1
1 1264 . 13 1 1 A 110 110 TRP CA C 110 62.078 60.343 1.735 1
1 1265 . 13 1 1 A 110 110 TRP CB C 110 29.275 28.797 0.478 1
1 1271 . 13 1 1 A 110 110 TRP N N 110 120.045 120.686 -0.641 1
1 1273 . 13 1 1 A 111 111 PHE H H 111 8.668 7.725 0.943 1
1 1274 . 13 1 1 A 111 111 PHE HA H 111 3.436 3.836 -0.400 1
1 1282 . 13 1 1 A 111 111 PHE C C 111 176.547 177.740 -1.193 1
1 1283 . 13 1 1 A 111 111 PHE CA C 111 62.182 61.835 0.347 1
1 1284 . 13 1 1 A 111 111 PHE CB C 111 39.904 37.535 2.369 1
1 1290 . 13 1 1 A 111 111 PHE N N 111 117.907 117.685 0.222 1
1 1291 . 13 1 1 A 112 112 GLN H H 112 8.254 7.608 0.646 1
1 1292 . 13 1 1 A 112 112 GLN HA H 112 3.685 3.733 -0.048 1
1 1299 . 13 1 1 A 112 112 GLN C C 112 178.503 178.003 0.500 1
1 1300 . 13 1 1 A 112 112 GLN CA C 112 58.624 58.700 -0.076 1
1 1301 . 13 1 1 A 112 112 GLN CB C 112 27.980 27.985 -0.005 1
1 1303 . 13 1 1 A 112 112 GLN N N 112 116.394 119.695 -3.301 1
1 1305 . 13 1 1 A 113 113 SER H H 113 7.741 7.279 0.462 1
1 1306 . 13 1 1 A 113 113 SER HA H 113 4.036 4.427 -0.391 1
1 1309 . 13 1 1 A 113 113 SER C C 113 176.428 177.360 -0.932 1
1 1310 . 13 1 1 A 113 113 SER CA C 113 62.062 61.374 0.688 1
1 1311 . 13 1 1 A 113 113 SER CB C 113 62.655 62.818 -0.163 1
1 1312 . 13 1 1 A 113 113 SER N N 113 114.734 114.738 -0.004 1
1 1313 . 13 1 1 A 114 114 ILE H H 114 7.915 7.922 -0.007 1
1 1314 . 13 1 1 A 114 114 ILE HA H 114 3.559 3.661 -0.102 1
1 1324 . 13 1 1 A 114 114 ILE C C 114 178.594 178.536 0.058 1
1 1325 . 13 1 1 A 114 114 ILE CA C 114 65.364 65.202 0.162 1
1 1326 . 13 1 1 A 114 114 ILE CB C 114 38.395 37.501 0.894 1
1 1330 . 13 1 1 A 114 114 ILE N N 114 119.893 121.213 -1.320 1
1 1331 . 13 1 1 A 115 115 ARG H H 115 8.581 7.920 0.661 1
1 1332 . 13 1 1 A 115 115 ARG HA H 115 3.881 4.407 -0.526 1
1 1339 . 13 1 1 A 115 115 ARG C C 115 177.921 179.270 -1.349 1
1 1340 . 13 1 1 A 115 115 ARG CA C 115 58.689 59.258 -0.569 1
1 1341 . 13 1 1 A 115 115 ARG CB C 115 29.134 29.583 -0.449 1
1 1344 . 13 1 1 A 115 115 ARG N N 115 123.090 122.204 0.886 1
1 1345 . 13 1 1 A 116 116 GLU H H 116 7.653 8.190 -0.537 1
1 1346 . 13 1 1 A 116 116 GLU HA H 116 3.959 4.114 -0.155 1
1 1351 . 13 1 1 A 116 116 GLU C C 116 178.178 177.514 0.664 1
1 1352 . 13 1 1 A 116 116 GLU CA C 116 58.767 58.780 -0.013 1
1 1353 . 13 1 1 A 116 116 GLU CB C 116 29.501 29.525 -0.024 1
1 1355 . 13 1 1 A 116 116 GLU N N 116 116.356 118.139 -1.783 1
1 1356 . 13 1 1 A 117 117 ILE H H 117 7.334 7.342 -0.008 1
1 1357 . 13 1 1 A 117 117 ILE HA H 117 3.909 4.168 -0.259 1
1 1367 . 13 1 1 A 117 117 ILE C C 117 177.733 177.475 0.258 1
1 1368 . 13 1 1 A 117 117 ILE CA C 117 63.443 61.924 1.519 1
1 1369 . 13 1 1 A 117 117 ILE CB C 117 39.059 38.833 0.226 1
1 1373 . 13 1 1 A 117 117 ILE N N 117 117.514 118.039 -0.525 1
1 1374 . 13 1 1 A 118 118 THR H H 118 8.075 7.440 0.635 1
1 1375 . 13 1 1 A 118 118 THR HA H 118 4.367 4.703 -0.336 1
1 1380 . 13 1 1 A 118 118 THR C C 118 176.050 176.444 -0.394 1
1 1381 . 13 1 1 A 118 118 THR CA C 118 63.494 63.808 -0.314 1
1 1382 . 13 1 1 A 118 118 THR CB C 118 70.326 69.767 0.559 1
1 1384 . 13 1 1 A 118 118 THR N N 118 109.879 112.360 -2.481 1
1 1385 . 13 1 1 A 119 119 TRP H H 119 8.283 8.375 -0.092 1
1 1386 . 13 1 1 A 119 119 TRP HA H 119 4.792 4.565 0.227 1
1 1395 . 13 1 1 A 119 119 TRP C C 119 175.855 176.568 -0.713 1
1 1396 . 13 1 1 A 119 119 TRP CA C 119 57.464 59.350 -1.886 1
1 1397 . 13 1 1 A 119 119 TRP CB C 119 29.488 29.507 -0.019 1
1 1403 . 13 1 1 A 119 119 TRP N N 119 124.034 121.876 2.158 1
1 1405 . 13 1 1 A 120 120 LYS H H 120 7.723 7.336 0.387 1
1 1406 . 13 1 1 A 120 120 LYS HA H 120 4.198 4.997 -0.799 1
1 1415 . 13 1 1 A 120 120 LYS C C 120 176.162 175.086 1.076 1
1 1416 . 13 1 1 A 120 120 LYS CA C 120 56.049 55.238 0.811 1
1 1417 . 13 1 1 A 120 120 LYS CB C 120 32.924 36.066 -3.142 1
1 1421 . 13 1 1 A 120 120 LYS N N 120 123.166 119.141 4.025 1
1 1422 . 13 1 1 A 121 121 ILE H H 121 7.874 8.524 -0.650 1
1 1423 . 13 1 1 A 121 121 ILE HA H 121 4.035 4.682 -0.647 1
1 1433 . 13 1 1 A 121 121 ILE C C 121 175.950 174.162 1.788 1
1 1434 . 13 1 1 A 121 121 ILE CA C 121 61.120 60.209 0.911 1
1 1435 . 13 1 1 A 121 121 ILE CB C 121 38.708 38.815 -0.107 1
1 1439 . 13 1 1 A 121 121 ILE N N 121 121.301 127.612 -6.311 1
1 1440 . 13 1 1 A 122 122 ASP H H 122 8.317 8.686 -0.369 1
1 1441 . 13 1 1 A 122 122 ASP HA H 122 4.677 5.061 -0.384 1
1 1444 . 13 1 1 A 122 122 ASP C C 122 176.278 175.924 0.354 1
1 1445 . 13 1 1 A 122 122 ASP CA C 122 54.157 52.677 1.480 1
1 1446 . 13 1 1 A 122 122 ASP CB C 122 41.316 43.807 -2.491 1
1 1447 . 13 1 1 A 122 122 ASP N N 122 124.058 120.679 3.379 1
1 1448 . 13 1 1 A 123 123 THR H H 123 8.003 8.617 -0.614 1
1 1449 . 13 1 1 A 123 123 THR HA H 123 4.307 4.298 0.009 1
1 1454 . 13 1 1 A 123 123 THR C C 123 173.831 173.075 0.756 1
1 1455 . 13 1 1 A 123 123 THR CA C 123 61.715 62.658 -0.943 1
1 1456 . 13 1 1 A 123 123 THR CB C 123 69.736 68.777 0.959 1
1 1458 . 13 1 1 A 123 123 THR N N 123 114.853 115.036 -0.183 1
1 2 . 14 1 1 A 9 9 LYS H H 9 8.338 9.250 -0.912 1
1 3 . 14 1 1 A 9 9 LYS C C 9 176.402 174.985 1.417 1
1 4 . 14 1 1 A 9 9 LYS N N 9 122.857 120.218 2.639 1
1 5 . 14 1 1 A 10 10 ASP H H 10 8.335 8.502 -0.167 1
1 6 . 14 1 1 A 10 10 ASP HA H 10 4.562 4.226 0.336 1
1 9 . 14 1 1 A 10 10 ASP C C 10 176.123 175.396 0.727 1
1 10 . 14 1 1 A 10 10 ASP CA C 10 54.344 56.300 -1.956 1
1 11 . 14 1 1 A 10 10 ASP CB C 10 41.227 39.419 1.808 1
1 12 . 14 1 1 A 10 10 ASP N N 10 121.507 117.504 4.003 1
1 13 . 14 1 1 A 11 11 GLU H H 11 8.231 8.320 -0.089 1
1 14 . 14 1 1 A 11 11 GLU HA H 11 4.222 4.405 -0.183 1
1 19 . 14 1 1 A 11 11 GLU CA C 11 56.356 57.083 -0.727 1
1 20 . 14 1 1 A 11 11 GLU CB C 11 30.439 31.018 -0.579 1
1 22 . 14 1 1 A 11 11 GLU N N 11 121.321 118.862 2.459 1
1 23 . 14 1 1 A 12 12 HIS H H 12 8.431 8.805 -0.374 1
1 24 . 14 1 1 A 12 12 HIS HA H 12 4.618 5.051 -0.433 1
1 28 . 14 1 1 A 12 12 HIS C C 12 174.980 173.316 1.664 1
1 29 . 14 1 1 A 12 12 HIS CA C 12 55.952 55.000 0.952 1
1 30 . 14 1 1 A 12 12 HIS CB C 12 30.058 32.795 -2.737 1
1 32 . 14 1 1 A 12 12 HIS N N 12 120.447 122.444 -1.997 1
1 33 . 14 1 1 A 13 13 LYS H H 13 8.191 8.418 -0.227 1
1 34 . 14 1 1 A 13 13 LYS HA H 13 4.355 4.696 -0.341 1
1 43 . 14 1 1 A 13 13 LYS C C 13 175.327 175.568 -0.241 1
1 44 . 14 1 1 A 13 13 LYS CA C 13 55.620 54.211 1.409 1
1 45 . 14 1 1 A 13 13 LYS CB C 13 33.729 36.242 -2.513 1
1 49 . 14 1 1 A 13 13 LYS N N 13 124.365 126.076 -1.711 1
1 50 . 14 1 1 A 14 14 GLN H H 14 8.229 8.228 0.001 1
1 51 . 14 1 1 A 14 14 GLN HA H 14 4.037 4.117 -0.080 1
1 58 . 14 1 1 A 14 14 GLN C C 14 173.432 174.496 -1.064 1
1 59 . 14 1 1 A 14 14 GLN CA C 14 54.613 55.290 -0.677 1
1 60 . 14 1 1 A 14 14 GLN CB C 14 29.096 28.256 0.840 1
1 62 . 14 1 1 A 14 14 GLN N N 14 123.823 121.681 2.142 1
1 64 . 14 1 1 A 15 15 GLN H H 15 7.896 8.116 -0.220 1
1 65 . 14 1 1 A 15 15 GLN HA H 15 5.459 5.253 0.206 1
1 70 . 14 1 1 A 15 15 GLN C C 15 174.263 175.419 -1.156 1
1 71 . 14 1 1 A 15 15 GLN CA C 15 54.506 54.316 0.190 1
1 72 . 14 1 1 A 15 15 GLN CB C 15 31.418 32.089 -0.671 1
1 74 . 14 1 1 A 15 15 GLN N N 15 121.452 123.018 -1.566 1
1 75 . 14 1 1 A 16 16 GLY H H 16 8.795 8.388 0.407 1
1 76 . 14 1 1 A 16 16 GLY HA2 H 16 4.056 4.265 -0.209 1
1 77 . 14 1 1 A 16 16 GLY HA3 H 16 4.801 4.477 0.324 1
1 78 . 14 1 1 A 16 16 GLY C C 16 171.456 171.491 -0.035 1
1 79 . 14 1 1 A 16 16 GLY CA C 16 44.773 46.215 -1.442 1
1 80 . 14 1 1 A 16 16 GLY N N 16 107.937 109.996 -2.059 1
1 81 . 14 1 1 A 17 17 GLU H H 17 8.718 8.584 0.134 1
1 82 . 14 1 1 A 17 17 GLU HA H 17 5.220 5.259 -0.039 1
1 87 . 14 1 1 A 17 17 GLU C C 17 176.562 175.086 1.476 1
1 88 . 14 1 1 A 17 17 GLU CA C 17 55.880 54.594 1.286 1
1 89 . 14 1 1 A 17 17 GLU CB C 17 30.995 33.307 -2.312 1
1 91 . 14 1 1 A 17 17 GLU N N 17 119.686 121.628 -1.942 1
1 92 . 14 1 1 A 18 18 LEU H H 18 8.806 8.546 0.260 1
1 93 . 14 1 1 A 18 18 LEU HA H 18 4.652 4.734 -0.082 1
1 103 . 14 1 1 A 18 18 LEU C C 18 176.851 174.589 2.262 1
1 104 . 14 1 1 A 18 18 LEU CA C 18 53.786 53.135 0.651 1
1 105 . 14 1 1 A 18 18 LEU CB C 18 47.961 46.267 1.694 1
1 109 . 14 1 1 A 18 18 LEU N N 18 122.158 123.956 -1.798 1
1 110 . 14 1 1 A 19 19 TYR H H 19 8.833 8.178 0.655 1
1 111 . 14 1 1 A 19 19 TYR HA H 19 5.837 5.535 0.302 1
1 118 . 14 1 1 A 19 19 TYR C C 19 176.038 175.453 0.585 1
1 119 . 14 1 1 A 19 19 TYR CA C 19 56.750 57.504 -0.754 1
1 120 . 14 1 1 A 19 19 TYR CB C 19 40.531 41.396 -0.865 1
1 125 . 14 1 1 A 19 19 TYR N N 19 117.278 122.158 -4.880 1
1 126 . 14 1 1 A 20 20 MET H H 20 9.743 9.321 0.422 1
1 127 . 14 1 1 A 20 20 MET HA H 20 5.207 5.190 0.017 1
1 135 . 14 1 1 A 20 20 MET C C 20 175.349 174.956 0.393 1
1 136 . 14 1 1 A 20 20 MET CA C 20 54.611 54.489 0.122 1
1 137 . 14 1 1 A 20 20 MET CB C 20 37.352 36.523 0.829 1
1 140 . 14 1 1 A 20 20 MET N N 20 120.128 120.496 -0.368 1
1 141 . 14 1 1 A 21 21 TRP H H 21 8.142 8.384 -0.242 1
1 142 . 14 1 1 A 21 21 TRP HA H 21 4.084 3.672 0.412 1
1 150 . 14 1 1 A 21 21 TRP C C 21 174.752 174.467 0.285 1
1 151 . 14 1 1 A 21 21 TRP CA C 21 56.246 58.376 -2.130 1
1 152 . 14 1 1 A 21 21 TRP CB C 21 29.682 29.623 0.059 1
1 157 . 14 1 1 A 21 21 TRP N N 21 126.799 125.417 1.382 1
1 159 . 14 1 1 A 22 22 ASP H H 22 8.034 7.651 0.383 1
1 160 . 14 1 1 A 22 22 ASP HA H 22 4.417 4.546 -0.129 1
1 163 . 14 1 1 A 22 22 ASP C C 22 175.814 175.944 -0.130 1
1 164 . 14 1 1 A 22 22 ASP CA C 22 52.020 52.537 -0.517 1
1 165 . 14 1 1 A 22 22 ASP CB C 22 41.748 41.479 0.269 1
1 166 . 14 1 1 A 22 22 ASP N N 22 129.313 126.957 2.356 1
1 167 . 14 1 1 A 23 23 SER H H 23 8.331 8.381 -0.050 1
1 168 . 14 1 1 A 23 23 SER HA H 23 3.719 3.878 -0.159 1
1 171 . 14 1 1 A 23 23 SER C C 23 175.145 175.912 -0.767 1
1 172 . 14 1 1 A 23 23 SER CA C 23 59.732 60.416 -0.684 1
1 173 . 14 1 1 A 23 23 SER CB C 23 63.304 62.794 0.510 1
1 174 . 14 1 1 A 23 23 SER N N 23 119.796 118.122 1.674 1
1 175 . 14 1 1 A 24 24 ILE H H 24 8.044 7.509 0.535 1
1 176 . 14 1 1 A 24 24 ILE HA H 24 3.849 3.745 0.104 1
1 186 . 14 1 1 A 24 24 ILE C C 24 177.615 176.910 0.705 1
1 187 . 14 1 1 A 24 24 ILE CA C 24 63.257 64.757 -1.500 1
1 188 . 14 1 1 A 24 24 ILE CB C 24 36.400 38.561 -2.161 1
1 192 . 14 1 1 A 24 24 ILE N N 24 124.085 121.850 2.235 1
1 193 . 14 1 1 A 25 25 ASP H H 25 7.641 7.662 -0.021 1
1 194 . 14 1 1 A 25 25 ASP HA H 25 4.492 4.664 -0.172 1
1 197 . 14 1 1 A 25 25 ASP C C 25 175.486 175.080 0.406 1
1 198 . 14 1 1 A 25 25 ASP CA C 25 54.313 53.252 1.061 1
1 199 . 14 1 1 A 25 25 ASP CB C 25 40.789 41.724 -0.935 1
1 200 . 14 1 1 A 25 25 ASP N N 25 118.371 118.300 0.071 1
1 201 . 14 1 1 A 26 26 GLN H H 26 7.340 7.510 -0.170 1
1 202 . 14 1 1 A 26 26 GLN HA H 26 2.828 3.433 -0.605 1
1 209 . 14 1 1 A 26 26 GLN C C 26 173.882 174.557 -0.675 1
1 210 . 14 1 1 A 26 26 GLN CA C 26 55.956 56.585 -0.629 1
1 211 . 14 1 1 A 26 26 GLN CB C 26 25.070 26.678 -1.608 1
1 213 . 14 1 1 A 26 26 GLN N N 26 116.358 116.061 0.297 1
1 215 . 14 1 1 A 27 27 LYS H H 27 6.283 6.568 -0.285 1
1 216 . 14 1 1 A 27 27 LYS HA H 27 4.395 4.883 -0.488 1
1 225 . 14 1 1 A 27 27 LYS C C 27 173.510 174.114 -0.604 1
1 226 . 14 1 1 A 27 27 LYS CA C 27 54.164 55.061 -0.897 1
1 227 . 14 1 1 A 27 27 LYS CB C 27 35.825 34.353 1.472 1
1 231 . 14 1 1 A 27 27 LYS N N 27 114.611 113.791 0.820 1
1 232 . 14 1 1 A 28 28 TRP H H 28 8.751 8.744 0.007 1
1 233 . 14 1 1 A 28 28 TRP HA H 28 5.383 5.590 -0.207 1
1 242 . 14 1 1 A 28 28 TRP C C 28 177.411 176.444 0.967 1
1 243 . 14 1 1 A 28 28 TRP CA C 28 55.957 55.374 0.583 1
1 244 . 14 1 1 A 28 28 TRP CB C 28 30.752 31.409 -0.657 1
1 250 . 14 1 1 A 28 28 TRP N N 28 121.520 119.248 2.272 1
1 252 . 14 1 1 A 29 29 THR H H 29 9.413 9.101 0.312 1
1 253 . 14 1 1 A 29 29 THR HA H 29 4.852 4.973 -0.121 1
1 258 . 14 1 1 A 29 29 THR C C 29 173.520 172.437 1.083 1
1 259 . 14 1 1 A 29 29 THR CA C 29 60.308 59.546 0.762 1
1 260 . 14 1 1 A 29 29 THR CB C 29 69.736 71.220 -1.484 1
1 262 . 14 1 1 A 29 29 THR N N 29 117.059 114.106 2.953 1
1 263 . 14 1 1 A 30 30 ARG H H 30 9.117 8.621 0.496 1
1 264 . 14 1 1 A 30 30 ARG HA H 30 4.790 4.466 0.324 1
1 272 . 14 1 1 A 30 30 ARG C C 30 174.447 174.936 -0.489 1
1 273 . 14 1 1 A 30 30 ARG CA C 30 55.949 54.782 1.167 1
1 274 . 14 1 1 A 30 30 ARG CB C 30 33.388 31.307 2.081 1
1 277 . 14 1 1 A 30 30 ARG N N 30 126.027 121.852 4.175 1
1 278 . 14 1 1 A 31 31 HIS H H 31 9.011 8.567 0.444 1
1 279 . 14 1 1 A 31 31 HIS HA H 31 4.636 5.148 -0.512 1
1 282 . 14 1 1 A 31 31 HIS C C 31 173.947 173.471 0.476 1
1 283 . 14 1 1 A 31 31 HIS CA C 31 55.185 54.078 1.107 1
1 284 . 14 1 1 A 31 31 HIS CB C 31 33.332 33.329 0.003 1
1 285 . 14 1 1 A 31 31 HIS N N 31 121.017 124.606 -3.589 1
1 286 . 14 1 1 A 32 32 TYR H H 32 9.361 9.038 0.323 1
1 287 . 14 1 1 A 32 32 TYR HA H 32 4.745 4.943 -0.198 1
1 294 . 14 1 1 A 32 32 TYR C C 32 176.298 174.576 1.722 1
1 295 . 14 1 1 A 32 32 TYR CA C 32 59.316 56.674 2.642 1
1 296 . 14 1 1 A 32 32 TYR CB C 32 39.341 39.512 -0.171 1
1 301 . 14 1 1 A 32 32 TYR N N 32 124.440 124.154 0.286 1
1 302 . 14 1 1 A 33 33 CYS H H 33 8.750 8.418 0.332 1
1 303 . 14 1 1 A 33 33 CYS HA H 33 5.857 5.616 0.241 1
1 306 . 14 1 1 A 33 33 CYS C C 33 172.735 173.126 -0.391 1
1 307 . 14 1 1 A 33 33 CYS CA C 33 57.108 56.440 0.668 1
1 308 . 14 1 1 A 33 33 CYS CB C 33 32.779 30.947 1.832 1
1 309 . 14 1 1 A 33 33 CYS N N 33 127.462 124.317 3.145 1
1 310 . 14 1 1 A 34 34 ALA H H 34 8.565 8.669 -0.104 1
1 311 . 14 1 1 A 34 34 ALA HA H 34 5.290 4.967 0.323 1
1 315 . 14 1 1 A 34 34 ALA C C 34 176.215 175.900 0.315 1
1 316 . 14 1 1 A 34 34 ALA CA C 34 51.773 51.849 -0.076 1
1 317 . 14 1 1 A 34 34 ALA CB C 34 23.139 22.881 0.258 1
1 318 . 14 1 1 A 34 34 ALA N N 34 121.115 121.400 -0.285 1
1 319 . 14 1 1 A 35 35 ILE H H 35 8.413 8.835 -0.422 1
1 320 . 14 1 1 A 35 35 ILE HA H 35 5.275 4.674 0.601 1
1 330 . 14 1 1 A 35 35 ILE C C 35 175.768 175.066 0.702 1
1 331 . 14 1 1 A 35 35 ILE CA C 35 60.105 60.455 -0.350 1
1 332 . 14 1 1 A 35 35 ILE CB C 35 39.737 37.953 1.784 1
1 336 . 14 1 1 A 35 35 ILE N N 35 120.176 122.466 -2.290 1
1 337 . 14 1 1 A 36 36 ALA H H 36 8.666 8.576 0.090 1
1 338 . 14 1 1 A 36 36 ALA HA H 36 4.581 4.715 -0.134 1
1 342 . 14 1 1 A 36 36 ALA CA C 36 52.028 51.127 0.901 1
1 343 . 14 1 1 A 36 36 ALA CB C 36 21.365 20.385 0.980 1
1 344 . 14 1 1 A 36 36 ALA N N 36 129.732 131.956 -2.224 1
1 345 . 14 1 1 A 37 37 ASP H H 37 9.379 8.947 0.432 1
1 346 . 14 1 1 A 37 37 ASP HA H 37 4.228 4.228 0.000 1
1 349 . 14 1 1 A 37 37 ASP C C 37 174.579 176.080 -1.501 1
1 350 . 14 1 1 A 37 37 ASP CA C 37 55.822 56.497 -0.675 1
1 351 . 14 1 1 A 37 37 ASP CB C 37 39.784 39.482 0.302 1
1 352 . 14 1 1 A 37 37 ASP N N 37 124.926 119.417 5.509 1
1 353 . 14 1 1 A 38 38 ALA H H 38 8.710 8.316 0.394 1
1 354 . 14 1 1 A 38 38 ALA HA H 38 3.911 4.464 -0.553 1
1 358 . 14 1 1 A 38 38 ALA C C 38 174.866 177.024 -2.158 1
1 359 . 14 1 1 A 38 38 ALA CA C 38 53.040 51.978 1.062 1
1 360 . 14 1 1 A 38 38 ALA CB C 38 17.654 21.491 -3.837 1
1 361 . 14 1 1 A 38 38 ALA N N 38 115.547 123.937 -8.390 1
1 362 . 14 1 1 A 39 39 LYS H H 39 8.054 7.635 0.419 1
1 363 . 14 1 1 A 39 39 LYS HA H 39 5.247 4.817 0.430 1
1 372 . 14 1 1 A 39 39 LYS C C 39 175.201 175.163 0.038 1
1 373 . 14 1 1 A 39 39 LYS CA C 39 54.583 54.866 -0.283 1
1 374 . 14 1 1 A 39 39 LYS CB C 39 34.824 34.404 0.420 1
1 378 . 14 1 1 A 39 39 LYS N N 39 117.589 118.048 -0.459 1
1 379 . 14 1 1 A 40 40 LEU H H 40 9.090 8.674 0.416 1
1 380 . 14 1 1 A 40 40 LEU HA H 40 5.353 5.187 0.166 1
1 390 . 14 1 1 A 40 40 LEU C C 40 175.382 174.951 0.431 1
1 391 . 14 1 1 A 40 40 LEU CA C 40 53.987 53.561 0.426 1
1 392 . 14 1 1 A 40 40 LEU CB C 40 45.718 44.947 0.771 1
1 396 . 14 1 1 A 40 40 LEU N N 40 126.300 124.937 1.363 1
1 397 . 14 1 1 A 41 41 SER H H 41 9.539 8.822 0.717 1
1 398 . 14 1 1 A 41 41 SER HA H 41 5.493 5.167 0.326 1
1 401 . 14 1 1 A 41 41 SER C C 41 173.435 173.907 -0.472 1
1 402 . 14 1 1 A 41 41 SER CA C 41 56.816 57.651 -0.835 1
1 403 . 14 1 1 A 41 41 SER CB C 41 65.706 64.188 1.518 1
1 404 . 14 1 1 A 41 41 SER N N 41 123.399 124.734 -1.335 1
1 405 . 14 1 1 A 42 42 PHE H H 42 8.344 8.415 -0.071 1
1 406 . 14 1 1 A 42 42 PHE HA H 42 5.888 5.728 0.160 1
1 414 . 14 1 1 A 42 42 PHE C C 42 175.198 173.884 1.314 1
1 415 . 14 1 1 A 42 42 PHE CA C 42 54.335 55.305 -0.970 1
1 416 . 14 1 1 A 42 42 PHE CB C 42 43.360 42.316 1.044 1
1 422 . 14 1 1 A 42 42 PHE N N 42 117.935 123.463 -5.528 1
1 423 . 14 1 1 A 43 43 SER H H 43 8.843 8.799 0.044 1
1 424 . 14 1 1 A 43 43 SER HA H 43 4.918 4.723 0.195 1
1 427 . 14 1 1 A 43 43 SER C C 43 175.040 173.317 1.723 1
1 428 . 14 1 1 A 43 43 SER CA C 43 58.215 56.409 1.806 1
1 429 . 14 1 1 A 43 43 SER CB C 43 66.789 65.758 1.031 1
1 430 . 14 1 1 A 43 43 SER N N 43 117.280 116.890 0.390 1
1 431 . 14 1 1 A 44 44 ASP H H 44 8.818 8.485 0.333 1
1 432 . 14 1 1 A 44 44 ASP HA H 44 4.909 4.724 0.185 1
1 435 . 14 1 1 A 44 44 ASP C C 44 175.955 175.726 0.229 1
1 436 . 14 1 1 A 44 44 ASP CA C 44 54.815 53.481 1.334 1
1 437 . 14 1 1 A 44 44 ASP CB C 44 41.729 41.603 0.126 1
1 438 . 14 1 1 A 44 44 ASP N N 44 120.846 122.207 -1.361 1
1 439 . 14 1 1 A 45 45 ASP H H 45 8.726 8.554 0.172 1
1 440 . 14 1 1 A 45 45 ASP HA H 45 4.273 4.609 -0.336 1
1 443 . 14 1 1 A 45 45 ASP C C 45 177.889 177.566 0.323 1
1 444 . 14 1 1 A 45 45 ASP CA C 45 54.145 55.004 -0.859 1
1 445 . 14 1 1 A 45 45 ASP CB C 45 41.329 41.566 -0.237 1
1 446 . 14 1 1 A 45 45 ASP N N 45 120.848 120.231 0.617 1
1 447 . 14 1 1 A 46 46 ILE H H 46 8.369 8.565 -0.196 1
1 448 . 14 1 1 A 46 46 ILE HA H 46 4.079 4.469 -0.390 1
1 458 . 14 1 1 A 46 46 ILE C C 46 177.339 176.514 0.825 1
1 459 . 14 1 1 A 46 46 ILE CA C 46 62.357 60.996 1.361 1
1 460 . 14 1 1 A 46 46 ILE CB C 46 38.708 39.045 -0.337 1
1 464 . 14 1 1 A 46 46 ILE N N 46 123.832 117.495 6.337 1
1 465 . 14 1 1 A 47 47 GLU H H 47 8.577 7.965 0.612 1
1 466 . 14 1 1 A 47 47 GLU HA H 47 4.258 4.473 -0.215 1
1 471 . 14 1 1 A 47 47 GLU C C 47 177.164 177.076 0.088 1
1 472 . 14 1 1 A 47 47 GLU CA C 47 57.249 56.898 0.351 1
1 473 . 14 1 1 A 47 47 GLU CB C 47 29.900 32.003 -2.103 1
1 475 . 14 1 1 A 47 47 GLU N N 47 122.294 119.476 2.818 1
1 476 . 14 1 1 A 48 48 GLN H H 48 7.894 8.125 -0.231 1
1 477 . 14 1 1 A 48 48 GLN HA H 48 4.365 4.696 -0.331 1
1 484 . 14 1 1 A 48 48 GLN C C 48 176.278 176.258 0.020 1
1 485 . 14 1 1 A 48 48 GLN CA C 48 55.830 55.221 0.609 1
1 486 . 14 1 1 A 48 48 GLN CB C 48 29.383 29.123 0.260 1
1 488 . 14 1 1 A 48 48 GLN N N 48 118.968 118.622 0.346 1
1 490 . 14 1 1 A 49 49 THR H H 49 8.048 7.758 0.290 1
1 491 . 14 1 1 A 49 49 THR HA H 49 4.331 4.109 0.222 1
1 496 . 14 1 1 A 49 49 THR C C 49 174.784 175.174 -0.390 1
1 497 . 14 1 1 A 49 49 THR CA C 49 62.135 65.304 -3.169 1
1 498 . 14 1 1 A 49 49 THR CB C 49 69.736 68.946 0.790 1
1 500 . 14 1 1 A 49 49 THR N N 49 114.601 113.204 1.397 1
1 501 . 14 1 1 A 50 50 MET H H 50 8.409 7.948 0.461 1
1 502 . 14 1 1 A 50 50 MET HA H 50 4.510 4.165 0.345 1
1 510 . 14 1 1 A 50 50 MET C C 50 176.451 175.270 1.181 1
1 511 . 14 1 1 A 50 50 MET CA C 50 55.601 56.760 -1.159 1
1 512 . 14 1 1 A 50 50 MET CB C 50 32.850 31.121 1.729 1
1 515 . 14 1 1 A 50 50 MET N N 50 122.660 117.137 5.523 1
1 516 . 14 1 1 A 51 51 GLU H H 51 8.418 8.034 0.384 1
1 517 . 14 1 1 A 51 51 GLU HA H 51 4.272 4.274 -0.002 1
1 522 . 14 1 1 A 51 51 GLU C C 51 176.777 177.257 -0.480 1
1 523 . 14 1 1 A 51 51 GLU CA C 51 56.680 57.404 -0.724 1
1 524 . 14 1 1 A 51 51 GLU CB C 51 30.262 30.178 0.084 1
1 526 . 14 1 1 A 51 51 GLU N N 51 121.650 118.626 3.024 1
1 527 . 14 1 1 A 52 52 GLU H H 52 8.325 8.844 -0.519 1
1 528 . 14 1 1 A 52 52 GLU HA H 52 4.174 4.031 0.143 1
1 533 . 14 1 1 A 52 52 GLU C C 52 176.178 177.601 -1.423 1
1 534 . 14 1 1 A 52 52 GLU N N 52 120.869 124.587 -3.718 1
1 535 . 14 1 1 A 53 53 ASP H H 53 8.320 7.988 0.332 1
1 536 . 14 1 1 A 53 53 ASP HA H 53 4.527 4.823 -0.296 1
1 539 . 14 1 1 A 53 53 ASP C C 53 175.650 175.761 -0.111 1
1 540 . 14 1 1 A 53 53 ASP CA C 53 54.322 52.881 1.441 1
1 541 . 14 1 1 A 53 53 ASP CB C 53 41.040 40.844 0.196 1
1 542 . 14 1 1 A 53 53 ASP N N 53 119.656 117.823 1.833 1
1 543 . 14 1 1 A 54 54 ASN H H 54 8.134 8.091 0.043 1
1 544 . 14 1 1 A 54 54 ASN HA H 54 4.970 4.339 0.631 1
1 549 . 14 1 1 A 54 54 ASN CA C 54 51.120 53.926 -2.806 1
1 550 . 14 1 1 A 54 54 ASN CB C 54 39.125 37.097 2.028 1
1 551 . 14 1 1 A 54 54 ASN N N 54 118.436 117.540 0.896 1
1 553 . 14 1 1 A 55 55 PRO HA H 55 4.394 4.551 -0.157 1
1 560 . 14 1 1 A 55 55 PRO C C 55 177.514 176.909 0.605 1
1 561 . 14 1 1 A 55 55 PRO CA C 55 63.910 62.260 1.650 1
1 562 . 14 1 1 A 55 55 PRO CB C 55 32.077 33.127 -1.050 1
1 565 . 14 1 1 A 56 56 LEU H H 56 8.181 8.729 -0.548 1
1 566 . 14 1 1 A 56 56 LEU HA H 56 4.268 3.999 0.269 1
1 576 . 14 1 1 A 56 56 LEU C C 56 178.176 176.913 1.263 1
1 577 . 14 1 1 A 56 56 LEU CA C 56 55.542 57.938 -2.396 1
1 578 . 14 1 1 A 56 56 LEU CB C 56 41.783 42.050 -0.267 1
1 582 . 14 1 1 A 56 56 LEU N N 56 120.122 121.967 -1.845 1
1 583 . 14 1 1 A 57 57 GLY H H 57 8.071 8.017 0.054 1
1 584 . 14 1 1 A 57 57 GLY HA2 H 57 3.946 3.932 0.014 1
1 585 . 14 1 1 A 57 57 GLY HA3 H 57 3.946 3.935 0.011 1
1 586 . 14 1 1 A 57 57 GLY C C 57 174.306 174.493 -0.187 1
1 587 . 14 1 1 A 57 57 GLY CA C 57 45.460 46.914 -1.454 1
1 588 . 14 1 1 A 57 57 GLY N N 57 108.437 106.828 1.609 1
1 589 . 14 1 1 A 58 58 SER H H 58 8.170 7.864 0.306 1
1 590 . 14 1 1 A 58 58 SER HA H 58 4.460 4.822 -0.362 1
1 593 . 14 1 1 A 58 58 SER C C 58 174.785 173.504 1.281 1
1 594 . 14 1 1 A 58 58 SER CA C 58 58.319 57.429 0.890 1
1 595 . 14 1 1 A 58 58 SER CB C 58 63.792 65.984 -2.192 1
1 596 . 14 1 1 A 58 58 SER N N 58 115.478 114.938 0.540 1
1 597 . 14 1 1 A 59 59 LEU H H 59 8.278 8.511 -0.233 1
1 598 . 14 1 1 A 59 59 LEU HA H 59 4.384 4.220 0.164 1
1 608 . 14 1 1 A 59 59 LEU CA C 59 55.219 55.820 -0.601 1
1 609 . 14 1 1 A 59 59 LEU CB C 59 42.377 42.464 -0.087 1
1 613 . 14 1 1 A 59 59 LEU N N 59 124.033 124.382 -0.349 1
1 614 . 14 1 1 A 60 60 CYS H H 60 8.331 8.925 -0.594 1
1 615 . 14 1 1 A 60 60 CYS HA H 60 4.398 4.136 0.262 1
1 618 . 14 1 1 A 60 60 CYS C C 60 174.142 174.799 -0.657 1
1 619 . 14 1 1 A 60 60 CYS CA C 60 58.505 59.813 -1.308 1
1 620 . 14 1 1 A 60 60 CYS CB C 60 27.338 26.014 1.324 1
1 621 . 14 1 1 A 60 60 CYS N N 60 120.390 124.540 -4.150 1
1 622 . 14 1 1 A 61 61 ARG H H 61 8.632 8.185 0.447 1
1 623 . 14 1 1 A 61 61 ARG HA H 61 4.337 4.435 -0.098 1
1 630 . 14 1 1 A 61 61 ARG C C 61 176.096 175.455 0.641 1
1 631 . 14 1 1 A 61 61 ARG CA C 61 56.003 56.085 -0.082 1
1 632 . 14 1 1 A 61 61 ARG CB C 61 30.757 31.094 -0.337 1
1 635 . 14 1 1 A 61 61 ARG N N 61 125.869 125.291 0.578 1
1 636 . 14 1 1 A 62 62 GLY H H 62 7.263 6.787 0.476 1
1 637 . 14 1 1 A 62 62 GLY HA2 H 62 3.008 3.722 -0.714 1
1 638 . 14 1 1 A 62 62 GLY HA3 H 62 3.875 3.892 -0.017 1
1 639 . 14 1 1 A 62 62 GLY C C 62 170.609 170.929 -0.320 1
1 640 . 14 1 1 A 62 62 GLY CA C 62 44.808 45.074 -0.266 1
1 641 . 14 1 1 A 62 62 GLY N N 62 107.908 104.854 3.054 1
1 642 . 14 1 1 A 63 63 ILE H H 63 7.895 8.363 -0.468 1
1 643 . 14 1 1 A 63 63 ILE HA H 63 4.843 5.076 -0.233 1
1 653 . 14 1 1 A 63 63 ILE C C 63 175.450 174.895 0.555 1
1 654 . 14 1 1 A 63 63 ILE CA C 63 60.322 60.242 0.080 1
1 655 . 14 1 1 A 63 63 ILE CB C 63 41.957 41.546 0.411 1
1 659 . 14 1 1 A 63 63 ILE N N 63 117.987 120.948 -2.961 1
1 660 . 14 1 1 A 64 64 LEU H H 64 9.429 9.069 0.360 1
1 661 . 14 1 1 A 64 64 LEU HA H 64 4.916 4.585 0.331 1
1 671 . 14 1 1 A 64 64 LEU C C 64 176.136 176.269 -0.133 1
1 672 . 14 1 1 A 64 64 LEU CA C 64 53.059 54.475 -1.416 1
1 673 . 14 1 1 A 64 64 LEU CB C 64 43.788 41.246 2.542 1
1 677 . 14 1 1 A 64 64 LEU N N 64 127.063 127.462 -0.399 1
1 678 . 14 1 1 A 65 65 ASP H H 65 9.241 9.101 0.140 1
1 679 . 14 1 1 A 65 65 ASP HA H 65 4.818 4.347 0.471 1
1 682 . 14 1 1 A 65 65 ASP C C 65 177.925 176.354 1.571 1
1 683 . 14 1 1 A 65 65 ASP CA C 65 53.628 57.085 -3.457 1
1 684 . 14 1 1 A 65 65 ASP CB C 65 40.307 40.553 -0.246 1
1 685 . 14 1 1 A 65 65 ASP N N 65 122.728 126.283 -3.555 1
1 686 . 14 1 1 A 66 66 LEU H H 66 8.766 8.024 0.742 1
1 687 . 14 1 1 A 66 66 LEU HA H 66 4.212 4.121 0.091 1
1 697 . 14 1 1 A 66 66 LEU C C 66 177.167 176.640 0.527 1
1 698 . 14 1 1 A 66 66 LEU CA C 66 57.854 56.339 1.515 1
1 699 . 14 1 1 A 66 66 LEU CB C 66 41.006 39.913 1.093 1
1 703 . 14 1 1 A 66 66 LEU N N 66 126.997 116.938 10.059 1
1 704 . 14 1 1 A 67 67 ASN H H 67 8.585 8.455 0.130 1
1 705 . 14 1 1 A 67 67 ASN HA H 67 4.721 4.941 -0.220 1
1 710 . 14 1 1 A 67 67 ASN C C 67 176.583 175.763 0.820 1
1 711 . 14 1 1 A 67 67 ASN CA C 67 55.648 53.779 1.869 1
1 712 . 14 1 1 A 67 67 ASN CB C 67 38.464 40.050 -1.586 1
1 713 . 14 1 1 A 67 67 ASN N N 67 113.883 114.729 -0.846 1
1 715 . 14 1 1 A 68 68 THR H H 68 8.007 8.140 -0.133 1
1 716 . 14 1 1 A 68 68 THR HA H 68 4.513 4.630 -0.117 1
1 721 . 14 1 1 A 68 68 THR C C 68 172.870 173.588 -0.718 1
1 722 . 14 1 1 A 68 68 THR CA C 68 61.441 60.031 1.410 1
1 723 . 14 1 1 A 68 68 THR CB C 68 69.432 68.746 0.686 1
1 725 . 14 1 1 A 68 68 THR N N 68 108.340 107.167 1.173 1
1 726 . 14 1 1 A 69 69 TYR H H 69 7.560 8.553 -0.993 1
1 727 . 14 1 1 A 69 69 TYR HA H 69 5.199 5.507 -0.308 1
1 734 . 14 1 1 A 69 69 TYR C C 69 174.283 174.538 -0.255 1
1 735 . 14 1 1 A 69 69 TYR CA C 69 57.848 56.384 1.464 1
1 736 . 14 1 1 A 69 69 TYR CB C 69 44.393 43.729 0.664 1
1 741 . 14 1 1 A 69 69 TYR N N 69 119.888 122.269 -2.381 1
1 742 . 14 1 1 A 70 70 ASN H H 70 9.116 9.037 0.079 1
1 743 . 14 1 1 A 70 70 ASN HA H 70 5.162 5.423 -0.261 1
1 748 . 14 1 1 A 70 70 ASN C C 70 174.340 174.301 0.039 1
1 749 . 14 1 1 A 70 70 ASN CA C 70 52.364 52.433 -0.069 1
1 750 . 14 1 1 A 70 70 ASN CB C 70 42.062 42.777 -0.715 1
1 751 . 14 1 1 A 70 70 ASN N N 70 116.071 117.682 -1.611 1
1 753 . 14 1 1 A 71 71 VAL H H 71 8.564 8.986 -0.422 1
1 754 . 14 1 1 A 71 71 VAL HA H 71 5.766 4.896 0.870 1
1 762 . 14 1 1 A 71 71 VAL C C 71 173.261 175.546 -2.285 1
1 763 . 14 1 1 A 71 71 VAL CA C 71 59.076 61.929 -2.853 1
1 764 . 14 1 1 A 71 71 VAL CB C 71 34.982 32.903 2.079 1
1 767 . 14 1 1 A 71 71 VAL N N 71 120.784 124.866 -4.082 1
1 768 . 14 1 1 A 72 72 VAL H H 72 9.308 8.628 0.680 1
1 769 . 14 1 1 A 72 72 VAL HA H 72 4.806 4.668 0.138 1
1 777 . 14 1 1 A 72 72 VAL C C 72 175.047 173.906 1.141 1
1 778 . 14 1 1 A 72 72 VAL CA C 72 60.330 59.793 0.537 1
1 779 . 14 1 1 A 72 72 VAL CB C 72 36.467 34.920 1.547 1
1 782 . 14 1 1 A 72 72 VAL N N 72 125.272 120.910 4.362 1
1 783 . 14 1 1 A 73 73 LYS H H 73 8.793 8.292 0.501 1
1 784 . 14 1 1 A 73 73 LYS HA H 73 4.652 3.247 1.405 1
1 793 . 14 1 1 A 73 73 LYS C C 73 176.241 175.008 1.233 1
1 794 . 14 1 1 A 73 73 LYS CA C 73 55.799 55.475 0.324 1
1 795 . 14 1 1 A 73 73 LYS CB C 73 33.452 32.245 1.207 1
1 799 . 14 1 1 A 73 73 LYS N N 73 124.197 126.574 -2.377 1
1 800 . 14 1 1 A 74 74 ALA H H 74 8.172 8.383 -0.211 1
1 801 . 14 1 1 A 74 74 ALA HA H 74 4.849 4.281 0.568 1
1 805 . 14 1 1 A 74 74 ALA CA C 74 49.540 50.279 -0.739 1
1 806 . 14 1 1 A 74 74 ALA CB C 74 17.685 19.250 -1.565 1
1 807 . 14 1 1 A 74 74 ALA N N 74 128.026 130.049 -2.023 1
1 808 . 14 1 1 A 75 75 PRO HA H 75 4.351 4.323 0.028 1
1 815 . 14 1 1 A 75 75 PRO CA C 75 65.256 65.736 -0.480 1
1 816 . 14 1 1 A 75 75 PRO CB C 75 32.158 31.655 0.503 1
1 819 . 14 1 1 A 76 76 GLN H H 76 8.660 8.021 0.639 1
1 820 . 14 1 1 A 76 76 GLN HA H 76 4.561 4.363 0.198 1
1 825 . 14 1 1 A 76 76 GLN C C 76 176.426 175.859 0.567 1
1 826 . 14 1 1 A 76 76 GLN CA C 76 55.168 55.344 -0.176 1
1 827 . 14 1 1 A 76 76 GLN CB C 76 28.925 28.778 0.147 1
1 829 . 14 1 1 A 76 76 GLN N N 76 116.110 117.528 -1.418 1
1 830 . 14 1 1 A 77 77 GLY H H 77 7.527 8.071 -0.544 1
1 831 . 14 1 1 A 77 77 GLY HA2 H 77 3.382 3.764 -0.382 1
1 832 . 14 1 1 A 77 77 GLY HA3 H 77 4.505 3.781 0.724 1
1 833 . 14 1 1 A 77 77 GLY C C 77 172.487 174.608 -2.121 1
1 834 . 14 1 1 A 77 77 GLY CA C 77 44.852 46.096 -1.244 1
1 835 . 14 1 1 A 77 77 GLY N N 77 107.608 111.537 -3.929 1
1 836 . 14 1 1 A 78 78 LYS H H 78 8.123 8.534 -0.411 1
1 837 . 14 1 1 A 78 78 LYS HA H 78 4.191 4.433 -0.242 1
1 846 . 14 1 1 A 78 78 LYS C C 78 175.300 175.533 -0.233 1
1 847 . 14 1 1 A 78 78 LYS CA C 78 56.737 56.885 -0.148 1
1 848 . 14 1 1 A 78 78 LYS CB C 78 35.900 35.568 0.332 1
1 852 . 14 1 1 A 78 78 LYS N N 78 117.756 124.473 -6.717 1
1 853 . 14 1 1 A 79 79 ASN H H 79 9.105 7.998 1.107 1
1 854 . 14 1 1 A 79 79 ASN HA H 79 4.099 4.938 -0.839 1
1 859 . 14 1 1 A 79 79 ASN C C 79 175.098 175.267 -0.169 1
1 860 . 14 1 1 A 79 79 ASN CA C 79 54.563 51.835 2.728 1
1 861 . 14 1 1 A 79 79 ASN CB C 79 37.353 40.229 -2.876 1
1 862 . 14 1 1 A 79 79 ASN N N 79 120.643 116.461 4.182 1
1 864 . 14 1 1 A 80 80 GLN H H 80 8.608 8.650 -0.042 1
1 865 . 14 1 1 A 80 80 GLN HA H 80 3.648 3.897 -0.249 1
1 870 . 14 1 1 A 80 80 GLN C C 80 175.327 174.529 0.798 1
1 871 . 14 1 1 A 80 80 GLN CA C 80 57.975 57.258 0.717 1
1 872 . 14 1 1 A 80 80 GLN CB C 80 26.506 27.137 -0.631 1
1 874 . 14 1 1 A 80 80 GLN N N 80 108.385 121.351 -12.966 1
1 875 . 14 1 1 A 81 81 LYS H H 81 7.608 7.544 0.064 1
1 876 . 14 1 1 A 81 81 LYS HA H 81 4.325 4.679 -0.354 1
1 885 . 14 1 1 A 81 81 LYS C C 81 176.242 176.024 0.218 1
1 886 . 14 1 1 A 81 81 LYS CA C 81 54.186 54.270 -0.084 1
1 887 . 14 1 1 A 81 81 LYS CB C 81 33.385 35.133 -1.748 1
1 891 . 14 1 1 A 81 81 LYS N N 81 119.675 119.211 0.464 1
1 892 . 14 1 1 A 82 82 SER H H 82 7.692 8.698 -1.006 1
1 893 . 14 1 1 A 82 82 SER HA H 82 3.850 4.325 -0.475 1
1 896 . 14 1 1 A 82 82 SER C C 82 174.045 172.919 1.126 1
1 897 . 14 1 1 A 82 82 SER CA C 82 60.984 59.415 1.569 1
1 898 . 14 1 1 A 82 82 SER CB C 82 62.962 64.511 -1.549 1
1 899 . 14 1 1 A 82 82 SER N N 82 117.008 118.392 -1.384 1
1 900 . 14 1 1 A 83 83 PHE H H 83 8.545 7.610 0.935 1
1 901 . 14 1 1 A 83 83 PHE HA H 83 4.921 4.924 -0.003 1
1 908 . 14 1 1 A 83 83 PHE C C 83 172.686 174.941 -2.255 1
1 909 . 14 1 1 A 83 83 PHE CA C 83 55.383 56.807 -1.424 1
1 910 . 14 1 1 A 83 83 PHE CB C 83 37.774 38.892 -1.118 1
1 915 . 14 1 1 A 83 83 PHE N N 83 124.073 117.866 6.207 1
1 916 . 14 1 1 A 84 84 VAL H H 84 8.420 8.758 -0.338 1
1 917 . 14 1 1 A 84 84 VAL HA H 84 5.348 5.166 0.182 1
1 925 . 14 1 1 A 84 84 VAL C C 84 175.816 174.713 1.103 1
1 926 . 14 1 1 A 84 84 VAL CA C 84 60.177 60.535 -0.358 1
1 927 . 14 1 1 A 84 84 VAL CB C 84 37.646 35.675 1.971 1
1 930 . 14 1 1 A 84 84 VAL N N 84 123.085 123.101 -0.016 1
1 931 . 14 1 1 A 85 85 PHE H H 85 8.812 9.045 -0.233 1
1 932 . 14 1 1 A 85 85 PHE HA H 85 5.510 5.304 0.206 1
1 940 . 14 1 1 A 85 85 PHE C C 85 171.610 174.712 -3.102 1
1 941 . 14 1 1 A 85 85 PHE CA C 85 55.360 55.823 -0.463 1
1 942 . 14 1 1 A 85 85 PHE CB C 85 41.424 42.252 -0.828 1
1 948 . 14 1 1 A 85 85 PHE N N 85 122.454 123.660 -1.206 1
1 949 . 14 1 1 A 86 86 ILE H H 86 9.406 9.303 0.103 1
1 950 . 14 1 1 A 86 86 ILE HA H 86 4.844 5.209 -0.365 1
1 960 . 14 1 1 A 86 86 ILE C C 86 175.559 174.653 0.906 1
1 961 . 14 1 1 A 86 86 ILE CA C 86 60.323 60.025 0.298 1
1 962 . 14 1 1 A 86 86 ILE CB C 86 42.374 40.477 1.897 1
1 966 . 14 1 1 A 86 86 ILE N N 86 120.483 123.461 -2.978 1
1 967 . 14 1 1 A 87 87 LEU H H 87 9.450 9.213 0.237 1
1 968 . 14 1 1 A 87 87 LEU HA H 87 5.238 5.510 -0.272 1
1 978 . 14 1 1 A 87 87 LEU C C 87 175.145 175.682 -0.537 1
1 979 . 14 1 1 A 87 87 LEU CA C 87 52.778 53.423 -0.645 1
1 980 . 14 1 1 A 87 87 LEU CB C 87 40.657 43.108 -2.451 1
1 984 . 14 1 1 A 87 87 LEU N N 87 126.149 127.612 -1.463 1
1 985 . 14 1 1 A 88 88 GLU H H 88 9.120 9.110 0.010 1
1 986 . 14 1 1 A 88 88 GLU HA H 88 4.986 4.940 0.046 1
1 991 . 14 1 1 A 88 88 GLU CA C 88 52.677 52.794 -0.117 1
1 992 . 14 1 1 A 88 88 GLU CB C 88 31.511 30.629 0.882 1
1 994 . 14 1 1 A 88 88 GLU N N 88 126.028 124.598 1.430 1
1 995 . 14 1 1 A 89 89 PRO HA H 89 4.239 3.824 0.415 1
1 1002 . 14 1 1 A 89 89 PRO C C 89 177.398 176.834 0.564 1
1 1003 . 14 1 1 A 89 89 PRO CA C 89 63.214 62.545 0.669 1
1 1004 . 14 1 1 A 89 89 PRO CB C 89 32.855 32.472 0.383 1
1 1007 . 14 1 1 A 90 90 LYS H H 90 8.166 8.590 -0.424 1
1 1008 . 14 1 1 A 90 90 LYS HA H 90 4.041 4.518 -0.477 1
1 1017 . 14 1 1 A 90 90 LYS C C 90 177.384 176.678 0.706 1
1 1018 . 14 1 1 A 90 90 LYS CA C 90 58.404 55.902 2.502 1
1 1019 . 14 1 1 A 90 90 LYS CB C 90 33.133 33.409 -0.276 1
1 1023 . 14 1 1 A 90 90 LYS N N 90 121.350 120.913 0.437 1
1 1024 . 14 1 1 A 91 91 GLN H H 91 8.252 7.810 0.442 1
1 1025 . 14 1 1 A 91 91 GLN HA H 91 4.423 4.030 0.393 1
1 1032 . 14 1 1 A 91 91 GLN C C 91 175.039 176.794 -1.755 1
1 1033 . 14 1 1 A 91 91 GLN CA C 91 54.303 58.829 -4.526 1
1 1034 . 14 1 1 A 91 91 GLN CB C 91 29.208 29.347 -0.139 1
1 1036 . 14 1 1 A 91 91 GLN N N 91 118.759 121.001 -2.242 1
1 1038 . 14 1 1 A 92 92 GLN H H 92 8.460 7.455 1.005 1
1 1039 . 14 1 1 A 92 92 GLN HA H 92 4.057 4.529 -0.472 1
1 1044 . 14 1 1 A 92 92 GLN C C 92 177.080 176.461 0.619 1
1 1045 . 14 1 1 A 92 92 GLN CA C 92 57.446 56.988 0.458 1
1 1046 . 14 1 1 A 92 92 GLN CB C 92 28.472 30.480 -2.008 1
1 1048 . 14 1 1 A 92 92 GLN N N 92 124.928 116.212 8.716 1
1 1049 . 14 1 1 A 93 93 GLY H H 93 8.870 7.989 0.881 1
1 1050 . 14 1 1 A 93 93 GLY HA2 H 93 3.639 4.051 -0.412 1
1 1051 . 14 1 1 A 93 93 GLY HA3 H 93 4.338 4.057 0.281 1
1 1052 . 14 1 1 A 93 93 GLY C C 93 174.298 174.036 0.262 1
1 1053 . 14 1 1 A 93 93 GLY CA C 93 45.336 45.518 -0.182 1
1 1054 . 14 1 1 A 93 93 GLY N N 93 113.393 106.465 6.928 1
1 1055 . 14 1 1 A 94 94 ASP H H 94 7.546 7.581 -0.035 1
1 1056 . 14 1 1 A 94 94 ASP HA H 94 5.056 4.737 0.319 1
1 1059 . 14 1 1 A 94 94 ASP CA C 94 52.662 52.884 -0.222 1
1 1060 . 14 1 1 A 94 94 ASP CB C 94 40.179 39.933 0.246 1
1 1061 . 14 1 1 A 94 94 ASP N N 94 123.111 121.043 2.068 1
1 1062 . 14 1 1 A 95 95 PRO HA H 95 4.933 4.717 0.216 1
1 1069 . 14 1 1 A 95 95 PRO CA C 95 61.243 61.697 -0.454 1
1 1070 . 14 1 1 A 95 95 PRO CB C 95 31.234 32.244 -1.010 1
1 1073 . 14 1 1 A 96 96 PRO HA H 96 5.190 4.990 0.200 1
1 1080 . 14 1 1 A 96 96 PRO C C 96 176.664 175.615 1.049 1
1 1081 . 14 1 1 A 96 96 PRO CA C 96 62.399 62.567 -0.168 1
1 1082 . 14 1 1 A 96 96 PRO CB C 96 32.850 33.139 -0.289 1
1 1085 . 14 1 1 A 97 97 VAL H H 97 8.448 8.250 0.198 1
1 1086 . 14 1 1 A 97 97 VAL HA H 97 4.145 4.695 -0.550 1
1 1094 . 14 1 1 A 97 97 VAL C C 97 174.020 175.064 -1.044 1
1 1095 . 14 1 1 A 97 97 VAL CA C 97 61.710 60.684 1.026 1
1 1096 . 14 1 1 A 97 97 VAL CB C 97 33.977 35.224 -1.247 1
1 1099 . 14 1 1 A 97 97 VAL N N 97 121.904 120.118 1.786 1
1 1100 . 14 1 1 A 98 98 GLU H H 98 8.599 8.663 -0.064 1
1 1101 . 14 1 1 A 98 98 GLU HA H 98 4.778 5.173 -0.395 1
1 1106 . 14 1 1 A 98 98 GLU C C 98 173.807 175.858 -2.051 1
1 1107 . 14 1 1 A 98 98 GLU CA C 98 55.674 55.149 0.525 1
1 1108 . 14 1 1 A 98 98 GLU CB C 98 30.827 32.307 -1.480 1
1 1110 . 14 1 1 A 98 98 GLU N N 98 126.577 126.445 0.132 1
1 1111 . 14 1 1 A 99 99 PHE H H 99 8.701 9.172 -0.471 1
1 1112 . 14 1 1 A 99 99 PHE HA H 99 5.773 5.971 -0.198 1
1 1120 . 14 1 1 A 99 99 PHE C C 99 174.648 174.853 -0.205 1
1 1121 . 14 1 1 A 99 99 PHE CA C 99 55.799 56.937 -1.138 1
1 1122 . 14 1 1 A 99 99 PHE CB C 99 44.025 44.426 -0.401 1
1 1128 . 14 1 1 A 99 99 PHE N N 99 120.755 120.543 0.212 1
1 1129 . 14 1 1 A 100 100 ALA H H 100 8.737 8.691 0.046 1
1 1130 . 14 1 1 A 100 100 ALA HA H 100 5.669 5.187 0.482 1
1 1134 . 14 1 1 A 100 100 ALA C C 100 176.491 176.276 0.215 1
1 1135 . 14 1 1 A 100 100 ALA CA C 100 49.850 51.564 -1.714 1
1 1136 . 14 1 1 A 100 100 ALA CB C 100 23.399 23.314 0.085 1
1 1137 . 14 1 1 A 100 100 ALA N N 100 118.211 122.274 -4.063 1
1 1138 . 14 1 1 A 101 101 THR H H 101 8.272 8.551 -0.279 1
1 1139 . 14 1 1 A 101 101 THR HA H 101 5.232 5.066 0.166 1
1 1144 . 14 1 1 A 101 101 THR C C 101 174.787 173.461 1.326 1
1 1145 . 14 1 1 A 101 101 THR CA C 101 59.068 60.268 -1.200 1
1 1146 . 14 1 1 A 101 101 THR CB C 101 70.089 72.314 -2.225 1
1 1148 . 14 1 1 A 101 101 THR N N 101 108.062 110.267 -2.205 1
1 1149 . 14 1 1 A 102 102 ASP H H 102 8.625 8.709 -0.084 1
1 1150 . 14 1 1 A 102 102 ASP HA H 102 5.009 4.924 0.085 1
1 1153 . 14 1 1 A 102 102 ASP C C 102 177.730 175.302 2.428 1
1 1154 . 14 1 1 A 102 102 ASP CA C 102 56.976 53.925 3.051 1
1 1155 . 14 1 1 A 102 102 ASP CB C 102 42.543 42.692 -0.149 1
1 1156 . 14 1 1 A 102 102 ASP N N 102 118.482 118.524 -0.042 1
1 1157 . 14 1 1 A 103 103 ARG H H 103 8.208 7.491 0.717 1
1 1158 . 14 1 1 A 103 103 ARG HA H 103 4.772 4.839 -0.067 1
1 1165 . 14 1 1 A 103 103 ARG C C 103 178.000 176.305 1.695 1
1 1166 . 14 1 1 A 103 103 ARG CA C 103 54.079 54.111 -0.032 1
1 1167 . 14 1 1 A 103 103 ARG CB C 103 33.914 34.056 -0.142 1
1 1170 . 14 1 1 A 103 103 ARG N N 103 116.043 117.666 -1.623 1
1 1171 . 14 1 1 A 104 104 VAL H H 104 8.516 8.822 -0.306 1
1 1172 . 14 1 1 A 104 104 VAL HA H 104 2.857 3.757 -0.900 1
1 1180 . 14 1 1 A 104 104 VAL C C 104 176.158 177.587 -1.429 1
1 1181 . 14 1 1 A 104 104 VAL CA C 104 64.625 64.944 -0.319 1
1 1182 . 14 1 1 A 104 104 VAL CB C 104 30.883 31.482 -0.599 1
1 1185 . 14 1 1 A 104 104 VAL N N 104 128.496 122.578 5.918 1
1 1186 . 14 1 1 A 105 105 GLU H H 105 9.414 8.228 1.186 1
1 1187 . 14 1 1 A 105 105 GLU HA H 105 3.989 4.098 -0.109 1
1 1192 . 14 1 1 A 105 105 GLU C C 105 179.982 179.449 0.533 1
1 1193 . 14 1 1 A 105 105 GLU CA C 105 60.599 59.626 0.973 1
1 1194 . 14 1 1 A 105 105 GLU CB C 105 27.973 29.519 -1.546 1
1 1196 . 14 1 1 A 105 105 GLU N N 105 121.934 121.890 0.044 1
1 1197 . 14 1 1 A 106 106 GLU H H 106 6.769 8.292 -1.523 1
1 1198 . 14 1 1 A 106 106 GLU HA H 106 4.370 4.119 0.251 1
1 1203 . 14 1 1 A 106 106 GLU C C 106 178.312 179.337 -1.025 1
1 1204 . 14 1 1 A 106 106 GLU CA C 106 58.503 59.219 -0.716 1
1 1205 . 14 1 1 A 106 106 GLU CB C 106 30.657 29.383 1.274 1
1 1207 . 14 1 1 A 106 106 GLU N N 106 116.721 120.506 -3.785 1
1 1208 . 14 1 1 A 107 107 LEU H H 107 7.161 7.723 -0.562 1
1 1209 . 14 1 1 A 107 107 LEU HA H 107 4.040 4.232 -0.192 1
1 1219 . 14 1 1 A 107 107 LEU C C 107 177.985 178.336 -0.351 1
1 1220 . 14 1 1 A 107 107 LEU CA C 107 58.930 58.191 0.739 1
1 1221 . 14 1 1 A 107 107 LEU CB C 107 40.058 42.103 -2.045 1
1 1225 . 14 1 1 A 107 107 LEU N N 107 122.171 122.439 -0.268 1
1 1226 . 14 1 1 A 108 108 PHE H H 108 7.986 8.302 -0.316 1
1 1227 . 14 1 1 A 108 108 PHE HA H 108 4.199 4.064 0.135 1
1 1234 . 14 1 1 A 108 108 PHE C C 108 178.069 177.823 0.246 1
1 1235 . 14 1 1 A 108 108 PHE CA C 108 61.167 61.101 0.066 1
1 1236 . 14 1 1 A 108 108 PHE CB C 108 38.208 38.423 -0.215 1
1 1241 . 14 1 1 A 108 108 PHE N N 108 116.696 119.332 -2.636 1
1 1242 . 14 1 1 A 109 109 GLU H H 109 7.719 8.622 -0.903 1
1 1243 . 14 1 1 A 109 109 GLU HA H 109 3.951 4.075 -0.124 1
1 1248 . 14 1 1 A 109 109 GLU C C 109 179.858 178.990 0.868 1
1 1249 . 14 1 1 A 109 109 GLU CA C 109 59.664 59.130 0.534 1
1 1250 . 14 1 1 A 109 109 GLU CB C 109 29.923 29.626 0.297 1
1 1252 . 14 1 1 A 109 109 GLU N N 109 119.214 119.977 -0.763 1
1 1253 . 14 1 1 A 110 110 TRP H H 110 8.445 7.939 0.506 1
1 1254 . 14 1 1 A 110 110 TRP HA H 110 3.634 4.234 -0.600 1
1 1263 . 14 1 1 A 110 110 TRP C C 110 177.691 178.759 -1.068 1
1 1264 . 14 1 1 A 110 110 TRP CA C 110 62.078 60.223 1.855 1
1 1265 . 14 1 1 A 110 110 TRP CB C 110 29.275 28.619 0.656 1
1 1271 . 14 1 1 A 110 110 TRP N N 110 120.045 120.746 -0.701 1
1 1273 . 14 1 1 A 111 111 PHE H H 111 8.668 7.754 0.914 1
1 1274 . 14 1 1 A 111 111 PHE HA H 111 3.436 3.862 -0.426 1
1 1282 . 14 1 1 A 111 111 PHE C C 111 176.547 177.553 -1.006 1
1 1283 . 14 1 1 A 111 111 PHE CA C 111 62.182 61.821 0.361 1
1 1284 . 14 1 1 A 111 111 PHE CB C 111 39.904 37.764 2.140 1
1 1290 . 14 1 1 A 111 111 PHE N N 111 117.907 117.539 0.368 1
1 1291 . 14 1 1 A 112 112 GLN H H 112 8.254 7.704 0.550 1
1 1292 . 14 1 1 A 112 112 GLN HA H 112 3.685 3.881 -0.196 1
1 1299 . 14 1 1 A 112 112 GLN C C 112 178.503 178.188 0.315 1
1 1300 . 14 1 1 A 112 112 GLN CA C 112 58.624 58.752 -0.128 1
1 1301 . 14 1 1 A 112 112 GLN CB C 112 27.980 28.409 -0.429 1
1 1303 . 14 1 1 A 112 112 GLN N N 112 116.394 120.293 -3.899 1
1 1305 . 14 1 1 A 113 113 SER H H 113 7.741 7.624 0.117 1
1 1306 . 14 1 1 A 113 113 SER HA H 113 4.036 4.472 -0.436 1
1 1309 . 14 1 1 A 113 113 SER C C 113 176.428 175.948 0.480 1
1 1310 . 14 1 1 A 113 113 SER CA C 113 62.062 62.444 -0.382 1
1 1311 . 14 1 1 A 113 113 SER CB C 113 62.655 62.901 -0.246 1
1 1312 . 14 1 1 A 113 113 SER N N 113 114.734 117.221 -2.487 1
1 1313 . 14 1 1 A 114 114 ILE H H 114 7.915 7.855 0.060 1
1 1314 . 14 1 1 A 114 114 ILE HA H 114 3.559 3.655 -0.096 1
1 1324 . 14 1 1 A 114 114 ILE C C 114 178.594 178.335 0.259 1
1 1325 . 14 1 1 A 114 114 ILE CA C 114 65.364 65.146 0.218 1
1 1326 . 14 1 1 A 114 114 ILE CB C 114 38.395 37.442 0.953 1
1 1330 . 14 1 1 A 114 114 ILE N N 114 119.893 121.158 -1.265 1
1 1331 . 14 1 1 A 115 115 ARG H H 115 8.581 8.171 0.410 1
1 1332 . 14 1 1 A 115 115 ARG HA H 115 3.881 4.202 -0.321 1
1 1339 . 14 1 1 A 115 115 ARG C C 115 177.921 179.301 -1.380 1
1 1340 . 14 1 1 A 115 115 ARG CA C 115 58.689 59.551 -0.862 1
1 1341 . 14 1 1 A 115 115 ARG CB C 115 29.134 29.827 -0.693 1
1 1344 . 14 1 1 A 115 115 ARG N N 115 123.090 121.034 2.056 1
1 1345 . 14 1 1 A 116 116 GLU H H 116 7.653 8.215 -0.562 1
1 1346 . 14 1 1 A 116 116 GLU HA H 116 3.959 4.157 -0.198 1
1 1351 . 14 1 1 A 116 116 GLU C C 116 178.178 177.494 0.684 1
1 1352 . 14 1 1 A 116 116 GLU CA C 116 58.767 58.851 -0.084 1
1 1353 . 14 1 1 A 116 116 GLU CB C 116 29.501 29.584 -0.083 1
1 1355 . 14 1 1 A 116 116 GLU N N 116 116.356 119.383 -3.027 1
1 1356 . 14 1 1 A 117 117 ILE H H 117 7.334 7.651 -0.317 1
1 1357 . 14 1 1 A 117 117 ILE HA H 117 3.909 4.184 -0.275 1
1 1367 . 14 1 1 A 117 117 ILE C C 117 177.733 177.408 0.325 1
1 1368 . 14 1 1 A 117 117 ILE CA C 117 63.443 62.657 0.786 1
1 1369 . 14 1 1 A 117 117 ILE CB C 117 39.059 39.600 -0.541 1
1 1373 . 14 1 1 A 117 117 ILE N N 117 117.514 118.039 -0.525 1
1 1374 . 14 1 1 A 118 118 THR H H 118 8.075 7.585 0.490 1
1 1375 . 14 1 1 A 118 118 THR HA H 118 4.367 4.652 -0.285 1
1 1380 . 14 1 1 A 118 118 THR C C 118 176.050 174.843 1.207 1
1 1381 . 14 1 1 A 118 118 THR CA C 118 63.494 61.657 1.837 1
1 1382 . 14 1 1 A 118 118 THR CB C 118 70.326 69.190 1.136 1
1 1384 . 14 1 1 A 118 118 THR N N 118 109.879 109.137 0.742 1
1 1385 . 14 1 1 A 119 119 TRP H H 119 8.283 7.869 0.414 1
1 1386 . 14 1 1 A 119 119 TRP HA H 119 4.792 4.956 -0.164 1
1 1395 . 14 1 1 A 119 119 TRP C C 119 175.855 175.703 0.152 1
1 1396 . 14 1 1 A 119 119 TRP CA C 119 57.464 57.910 -0.446 1
1 1397 . 14 1 1 A 119 119 TRP CB C 119 29.488 32.389 -2.901 1
1 1403 . 14 1 1 A 119 119 TRP N N 119 124.034 122.657 1.377 1
1 1405 . 14 1 1 A 120 120 LYS H H 120 7.723 7.627 0.096 1
1 1406 . 14 1 1 A 120 120 LYS HA H 120 4.198 4.558 -0.360 1
1 1415 . 14 1 1 A 120 120 LYS C C 120 176.162 175.086 1.076 1
1 1416 . 14 1 1 A 120 120 LYS CA C 120 56.049 54.926 1.123 1
1 1417 . 14 1 1 A 120 120 LYS CB C 120 32.924 34.867 -1.943 1
1 1421 . 14 1 1 A 120 120 LYS N N 120 123.166 119.274 3.892 1
1 1422 . 14 1 1 A 121 121 ILE H H 121 7.874 8.841 -0.967 1
1 1423 . 14 1 1 A 121 121 ILE HA H 121 4.035 4.693 -0.658 1
1 1433 . 14 1 1 A 121 121 ILE C C 121 175.950 174.234 1.716 1
1 1434 . 14 1 1 A 121 121 ILE CA C 121 61.120 60.520 0.600 1
1 1435 . 14 1 1 A 121 121 ILE CB C 121 38.708 38.940 -0.232 1
1 1439 . 14 1 1 A 121 121 ILE N N 121 121.301 125.979 -4.678 1
1 1440 . 14 1 1 A 122 122 ASP H H 122 8.317 8.839 -0.522 1
1 1441 . 14 1 1 A 122 122 ASP HA H 122 4.677 5.022 -0.345 1
1 1444 . 14 1 1 A 122 122 ASP C C 122 176.278 175.882 0.396 1
1 1445 . 14 1 1 A 122 122 ASP CA C 122 54.157 53.557 0.600 1
1 1446 . 14 1 1 A 122 122 ASP CB C 122 41.316 42.576 -1.260 1
1 1447 . 14 1 1 A 122 122 ASP N N 122 124.058 128.789 -4.731 1
1 1448 . 14 1 1 A 123 123 THR H H 123 8.003 8.706 -0.703 1
1 1449 . 14 1 1 A 123 123 THR HA H 123 4.307 4.682 -0.375 1
1 1454 . 14 1 1 A 123 123 THR C C 123 173.831 175.242 -1.411 1
1 1455 . 14 1 1 A 123 123 THR CA C 123 61.715 61.056 0.659 1
1 1456 . 14 1 1 A 123 123 THR CB C 123 69.736 70.941 -1.205 1
1 1458 . 14 1 1 A 123 123 THR N N 123 114.853 115.337 -0.484 1
1 2 . 15 1 1 A 9 9 LYS H H 9 8.338 7.888 0.450 1
1 3 . 15 1 1 A 9 9 LYS C C 9 176.402 176.055 0.347 1
1 4 . 15 1 1 A 9 9 LYS N N 9 122.857 115.311 7.546 1
1 5 . 15 1 1 A 10 10 ASP H H 10 8.335 8.223 0.112 1
1 6 . 15 1 1 A 10 10 ASP HA H 10 4.562 4.547 0.015 1
1 9 . 15 1 1 A 10 10 ASP C C 10 176.123 176.436 -0.313 1
1 10 . 15 1 1 A 10 10 ASP CA C 10 54.344 56.314 -1.970 1
1 11 . 15 1 1 A 10 10 ASP CB C 10 41.227 41.941 -0.714 1
1 12 . 15 1 1 A 10 10 ASP N N 10 121.507 125.068 -3.561 1
1 13 . 15 1 1 A 11 11 GLU H H 11 8.231 7.910 0.321 1
1 14 . 15 1 1 A 11 11 GLU HA H 11 4.222 4.892 -0.670 1
1 19 . 15 1 1 A 11 11 GLU CA C 11 56.356 55.168 1.188 1
1 20 . 15 1 1 A 11 11 GLU CB C 11 30.439 31.761 -1.322 1
1 22 . 15 1 1 A 11 11 GLU N N 11 121.321 117.091 4.230 1
1 23 . 15 1 1 A 12 12 HIS H H 12 8.431 8.688 -0.257 1
1 24 . 15 1 1 A 12 12 HIS HA H 12 4.618 4.971 -0.353 1
1 28 . 15 1 1 A 12 12 HIS C C 12 174.980 172.568 2.412 1
1 29 . 15 1 1 A 12 12 HIS CA C 12 55.952 55.782 0.170 1
1 30 . 15 1 1 A 12 12 HIS CB C 12 30.058 32.433 -2.375 1
1 32 . 15 1 1 A 12 12 HIS N N 12 120.447 123.258 -2.811 1
1 33 . 15 1 1 A 13 13 LYS H H 13 8.191 8.980 -0.789 1
1 34 . 15 1 1 A 13 13 LYS HA H 13 4.355 4.782 -0.427 1
1 43 . 15 1 1 A 13 13 LYS C C 13 175.327 174.835 0.492 1
1 44 . 15 1 1 A 13 13 LYS CA C 13 55.620 54.435 1.185 1
1 45 . 15 1 1 A 13 13 LYS CB C 13 33.729 34.566 -0.837 1
1 49 . 15 1 1 A 13 13 LYS N N 13 124.365 128.834 -4.469 1
1 50 . 15 1 1 A 14 14 GLN H H 14 8.229 8.591 -0.362 1
1 51 . 15 1 1 A 14 14 GLN HA H 14 4.037 4.628 -0.591 1
1 58 . 15 1 1 A 14 14 GLN C C 14 173.432 174.543 -1.111 1
1 59 . 15 1 1 A 14 14 GLN CA C 14 54.613 54.438 0.175 1
1 60 . 15 1 1 A 14 14 GLN CB C 14 29.096 30.157 -1.061 1
1 62 . 15 1 1 A 14 14 GLN N N 14 123.823 127.035 -3.212 1
1 64 . 15 1 1 A 15 15 GLN H H 15 7.896 8.549 -0.653 1
1 65 . 15 1 1 A 15 15 GLN HA H 15 5.459 5.180 0.279 1
1 70 . 15 1 1 A 15 15 GLN C C 15 174.263 175.174 -0.911 1
1 71 . 15 1 1 A 15 15 GLN CA C 15 54.506 54.404 0.102 1
1 72 . 15 1 1 A 15 15 GLN CB C 15 31.418 32.808 -1.390 1
1 74 . 15 1 1 A 15 15 GLN N N 15 121.452 125.407 -3.955 1
1 75 . 15 1 1 A 16 16 GLY H H 16 8.795 8.392 0.403 1
1 76 . 15 1 1 A 16 16 GLY HA2 H 16 4.056 4.254 -0.198 1
1 77 . 15 1 1 A 16 16 GLY HA3 H 16 4.801 4.496 0.305 1
1 78 . 15 1 1 A 16 16 GLY C C 16 171.456 171.528 -0.072 1
1 79 . 15 1 1 A 16 16 GLY CA C 16 44.773 46.326 -1.553 1
1 80 . 15 1 1 A 16 16 GLY N N 16 107.937 109.183 -1.246 1
1 81 . 15 1 1 A 17 17 GLU H H 17 8.718 8.582 0.136 1
1 82 . 15 1 1 A 17 17 GLU HA H 17 5.220 5.349 -0.129 1
1 87 . 15 1 1 A 17 17 GLU C C 17 176.562 174.884 1.678 1
1 88 . 15 1 1 A 17 17 GLU CA C 17 55.880 54.553 1.327 1
1 89 . 15 1 1 A 17 17 GLU CB C 17 30.995 34.098 -3.103 1
1 91 . 15 1 1 A 17 17 GLU N N 17 119.686 121.454 -1.768 1
1 92 . 15 1 1 A 18 18 LEU H H 18 8.806 8.411 0.395 1
1 93 . 15 1 1 A 18 18 LEU HA H 18 4.652 4.685 -0.033 1
1 103 . 15 1 1 A 18 18 LEU C C 18 176.851 174.556 2.295 1
1 104 . 15 1 1 A 18 18 LEU CA C 18 53.786 53.543 0.243 1
1 105 . 15 1 1 A 18 18 LEU CB C 18 47.961 45.208 2.753 1
1 109 . 15 1 1 A 18 18 LEU N N 18 122.158 121.630 0.528 1
1 110 . 15 1 1 A 19 19 TYR H H 19 8.833 8.333 0.500 1
1 111 . 15 1 1 A 19 19 TYR HA H 19 5.837 5.705 0.132 1
1 118 . 15 1 1 A 19 19 TYR C C 19 176.038 175.467 0.571 1
1 119 . 15 1 1 A 19 19 TYR CA C 19 56.750 57.163 -0.413 1
1 120 . 15 1 1 A 19 19 TYR CB C 19 40.531 41.296 -0.765 1
1 125 . 15 1 1 A 19 19 TYR N N 19 117.278 121.772 -4.494 1
1 126 . 15 1 1 A 20 20 MET H H 20 9.743 9.262 0.481 1
1 127 . 15 1 1 A 20 20 MET HA H 20 5.207 5.276 -0.069 1
1 135 . 15 1 1 A 20 20 MET C C 20 175.349 175.149 0.200 1
1 136 . 15 1 1 A 20 20 MET CA C 20 54.611 54.455 0.156 1
1 137 . 15 1 1 A 20 20 MET CB C 20 37.352 36.410 0.942 1
1 140 . 15 1 1 A 20 20 MET N N 20 120.128 121.169 -1.041 1
1 141 . 15 1 1 A 21 21 TRP H H 21 8.142 8.189 -0.047 1
1 142 . 15 1 1 A 21 21 TRP HA H 21 4.084 3.631 0.453 1
1 150 . 15 1 1 A 21 21 TRP C C 21 174.752 174.732 0.020 1
1 151 . 15 1 1 A 21 21 TRP CA C 21 56.246 57.446 -1.200 1
1 152 . 15 1 1 A 21 21 TRP CB C 21 29.682 29.298 0.384 1
1 157 . 15 1 1 A 21 21 TRP N N 21 126.799 125.321 1.478 1
1 159 . 15 1 1 A 22 22 ASP H H 22 8.034 7.911 0.123 1
1 160 . 15 1 1 A 22 22 ASP HA H 22 4.417 4.262 0.155 1
1 163 . 15 1 1 A 22 22 ASP C C 22 175.814 175.762 0.052 1
1 164 . 15 1 1 A 22 22 ASP CA C 22 52.020 52.604 -0.584 1
1 165 . 15 1 1 A 22 22 ASP CB C 22 41.748 40.279 1.469 1
1 166 . 15 1 1 A 22 22 ASP N N 22 129.313 129.008 0.305 1
1 167 . 15 1 1 A 23 23 SER H H 23 8.331 8.400 -0.069 1
1 168 . 15 1 1 A 23 23 SER HA H 23 3.719 3.790 -0.071 1
1 171 . 15 1 1 A 23 23 SER C C 23 175.145 175.149 -0.004 1
1 172 . 15 1 1 A 23 23 SER CA C 23 59.732 59.272 0.460 1
1 173 . 15 1 1 A 23 23 SER CB C 23 63.304 62.949 0.355 1
1 174 . 15 1 1 A 23 23 SER N N 23 119.796 119.641 0.155 1
1 175 . 15 1 1 A 24 24 ILE H H 24 8.044 7.486 0.558 1
1 176 . 15 1 1 A 24 24 ILE HA H 24 3.849 3.806 0.043 1
1 186 . 15 1 1 A 24 24 ILE C C 24 177.615 176.813 0.802 1
1 187 . 15 1 1 A 24 24 ILE CA C 24 63.257 63.920 -0.663 1
1 188 . 15 1 1 A 24 24 ILE CB C 24 36.400 37.971 -1.571 1
1 192 . 15 1 1 A 24 24 ILE N N 24 124.085 120.630 3.455 1
1 193 . 15 1 1 A 25 25 ASP H H 25 7.641 8.057 -0.416 1
1 194 . 15 1 1 A 25 25 ASP HA H 25 4.492 4.619 -0.127 1
1 197 . 15 1 1 A 25 25 ASP C C 25 175.486 174.997 0.489 1
1 198 . 15 1 1 A 25 25 ASP CA C 25 54.313 53.720 0.593 1
1 199 . 15 1 1 A 25 25 ASP CB C 25 40.789 40.928 -0.139 1
1 200 . 15 1 1 A 25 25 ASP N N 25 118.371 118.263 0.108 1
1 201 . 15 1 1 A 26 26 GLN H H 26 7.340 7.476 -0.136 1
1 202 . 15 1 1 A 26 26 GLN HA H 26 2.828 3.323 -0.495 1
1 209 . 15 1 1 A 26 26 GLN C C 26 173.882 174.426 -0.544 1
1 210 . 15 1 1 A 26 26 GLN CA C 26 55.956 56.448 -0.492 1
1 211 . 15 1 1 A 26 26 GLN CB C 26 25.070 26.652 -1.582 1
1 213 . 15 1 1 A 26 26 GLN N N 26 116.358 116.464 -0.106 1
1 215 . 15 1 1 A 27 27 LYS H H 27 6.283 6.417 -0.134 1
1 216 . 15 1 1 A 27 27 LYS HA H 27 4.395 4.868 -0.473 1
1 225 . 15 1 1 A 27 27 LYS C C 27 173.510 174.251 -0.741 1
1 226 . 15 1 1 A 27 27 LYS CA C 27 54.164 55.058 -0.894 1
1 227 . 15 1 1 A 27 27 LYS CB C 27 35.825 34.454 1.371 1
1 231 . 15 1 1 A 27 27 LYS N N 27 114.611 113.706 0.905 1
1 232 . 15 1 1 A 28 28 TRP H H 28 8.751 8.759 -0.008 1
1 233 . 15 1 1 A 28 28 TRP HA H 28 5.383 5.525 -0.142 1
1 242 . 15 1 1 A 28 28 TRP C C 28 177.411 176.480 0.931 1
1 243 . 15 1 1 A 28 28 TRP CA C 28 55.957 56.235 -0.278 1
1 244 . 15 1 1 A 28 28 TRP CB C 28 30.752 30.686 0.066 1
1 250 . 15 1 1 A 28 28 TRP N N 28 121.520 119.871 1.649 1
1 252 . 15 1 1 A 29 29 THR H H 29 9.413 9.103 0.310 1
1 253 . 15 1 1 A 29 29 THR HA H 29 4.852 5.097 -0.245 1
1 258 . 15 1 1 A 29 29 THR C C 29 173.520 172.339 1.181 1
1 259 . 15 1 1 A 29 29 THR CA C 29 60.308 59.559 0.749 1
1 260 . 15 1 1 A 29 29 THR CB C 29 69.736 71.754 -2.018 1
1 262 . 15 1 1 A 29 29 THR N N 29 117.059 114.173 2.886 1
1 263 . 15 1 1 A 30 30 ARG H H 30 9.117 8.485 0.632 1
1 264 . 15 1 1 A 30 30 ARG HA H 30 4.790 4.215 0.575 1
1 272 . 15 1 1 A 30 30 ARG C C 30 174.447 174.724 -0.277 1
1 273 . 15 1 1 A 30 30 ARG CA C 30 55.949 54.544 1.405 1
1 274 . 15 1 1 A 30 30 ARG CB C 30 33.388 31.463 1.925 1
1 277 . 15 1 1 A 30 30 ARG N N 30 126.027 121.955 4.072 1
1 278 . 15 1 1 A 31 31 HIS H H 31 9.011 8.524 0.487 1
1 279 . 15 1 1 A 31 31 HIS HA H 31 4.636 4.940 -0.304 1
1 282 . 15 1 1 A 31 31 HIS C C 31 173.947 173.391 0.556 1
1 283 . 15 1 1 A 31 31 HIS CA C 31 55.185 54.645 0.540 1
1 284 . 15 1 1 A 31 31 HIS CB C 31 33.332 34.060 -0.728 1
1 285 . 15 1 1 A 31 31 HIS N N 31 121.017 123.726 -2.709 1
1 286 . 15 1 1 A 32 32 TYR H H 32 9.361 8.941 0.420 1
1 287 . 15 1 1 A 32 32 TYR HA H 32 4.745 4.857 -0.112 1
1 294 . 15 1 1 A 32 32 TYR C C 32 176.298 174.493 1.805 1
1 295 . 15 1 1 A 32 32 TYR CA C 32 59.316 56.858 2.458 1
1 296 . 15 1 1 A 32 32 TYR CB C 32 39.341 39.643 -0.302 1
1 301 . 15 1 1 A 32 32 TYR N N 32 124.440 123.618 0.822 1
1 302 . 15 1 1 A 33 33 CYS H H 33 8.750 8.568 0.182 1
1 303 . 15 1 1 A 33 33 CYS HA H 33 5.857 5.407 0.450 1
1 306 . 15 1 1 A 33 33 CYS C C 33 172.735 173.894 -1.159 1
1 307 . 15 1 1 A 33 33 CYS CA C 33 57.108 57.557 -0.449 1
1 308 . 15 1 1 A 33 33 CYS CB C 33 32.779 29.823 2.956 1
1 309 . 15 1 1 A 33 33 CYS N N 33 127.462 126.876 0.586 1
1 310 . 15 1 1 A 34 34 ALA H H 34 8.565 8.625 -0.060 1
1 311 . 15 1 1 A 34 34 ALA HA H 34 5.290 4.934 0.356 1
1 315 . 15 1 1 A 34 34 ALA C C 34 176.215 175.909 0.306 1
1 316 . 15 1 1 A 34 34 ALA CA C 34 51.773 52.076 -0.303 1
1 317 . 15 1 1 A 34 34 ALA CB C 34 23.139 22.041 1.098 1
1 318 . 15 1 1 A 34 34 ALA N N 34 121.115 122.833 -1.718 1
1 319 . 15 1 1 A 35 35 ILE H H 35 8.413 8.683 -0.270 1
1 320 . 15 1 1 A 35 35 ILE HA H 35 5.275 5.081 0.194 1
1 330 . 15 1 1 A 35 35 ILE C C 35 175.768 175.173 0.595 1
1 331 . 15 1 1 A 35 35 ILE CA C 35 60.105 60.471 -0.366 1
1 332 . 15 1 1 A 35 35 ILE CB C 35 39.737 38.400 1.337 1
1 336 . 15 1 1 A 35 35 ILE N N 35 120.176 123.681 -3.505 1
1 337 . 15 1 1 A 36 36 ALA H H 36 8.666 8.742 -0.076 1
1 338 . 15 1 1 A 36 36 ALA HA H 36 4.581 4.655 -0.074 1
1 342 . 15 1 1 A 36 36 ALA CA C 36 52.028 51.378 0.650 1
1 343 . 15 1 1 A 36 36 ALA CB C 36 21.365 22.153 -0.788 1
1 344 . 15 1 1 A 36 36 ALA N N 36 129.732 128.822 0.910 1
1 345 . 15 1 1 A 37 37 ASP H H 37 9.379 9.404 -0.025 1
1 346 . 15 1 1 A 37 37 ASP HA H 37 4.228 4.309 -0.081 1
1 349 . 15 1 1 A 37 37 ASP C C 37 174.579 175.332 -0.753 1
1 350 . 15 1 1 A 37 37 ASP CA C 37 55.822 55.612 0.210 1
1 351 . 15 1 1 A 37 37 ASP CB C 37 39.784 39.170 0.614 1
1 352 . 15 1 1 A 37 37 ASP N N 37 124.926 124.278 0.648 1
1 353 . 15 1 1 A 38 38 ALA H H 38 8.710 8.309 0.401 1
1 354 . 15 1 1 A 38 38 ALA HA H 38 3.911 3.903 0.008 1
1 358 . 15 1 1 A 38 38 ALA C C 38 174.866 176.223 -1.357 1
1 359 . 15 1 1 A 38 38 ALA CA C 38 53.040 53.729 -0.689 1
1 360 . 15 1 1 A 38 38 ALA CB C 38 17.654 18.362 -0.708 1
1 361 . 15 1 1 A 38 38 ALA N N 38 115.547 113.526 2.021 1
1 362 . 15 1 1 A 39 39 LYS H H 39 8.054 7.474 0.580 1
1 363 . 15 1 1 A 39 39 LYS HA H 39 5.247 5.070 0.177 1
1 372 . 15 1 1 A 39 39 LYS C C 39 175.201 174.645 0.556 1
1 373 . 15 1 1 A 39 39 LYS CA C 39 54.583 54.537 0.046 1
1 374 . 15 1 1 A 39 39 LYS CB C 39 34.824 35.999 -1.175 1
1 378 . 15 1 1 A 39 39 LYS N N 39 117.589 116.622 0.967 1
1 379 . 15 1 1 A 40 40 LEU H H 40 9.090 8.644 0.446 1
1 380 . 15 1 1 A 40 40 LEU HA H 40 5.353 5.104 0.249 1
1 390 . 15 1 1 A 40 40 LEU C C 40 175.382 175.068 0.314 1
1 391 . 15 1 1 A 40 40 LEU CA C 40 53.987 53.939 0.048 1
1 392 . 15 1 1 A 40 40 LEU CB C 40 45.718 45.672 0.046 1
1 396 . 15 1 1 A 40 40 LEU N N 40 126.300 124.269 2.031 1
1 397 . 15 1 1 A 41 41 SER H H 41 9.539 8.972 0.567 1
1 398 . 15 1 1 A 41 41 SER HA H 41 5.493 5.711 -0.218 1
1 401 . 15 1 1 A 41 41 SER C C 41 173.435 173.948 -0.513 1
1 402 . 15 1 1 A 41 41 SER CA C 41 56.816 56.922 -0.106 1
1 403 . 15 1 1 A 41 41 SER CB C 41 65.706 64.951 0.755 1
1 404 . 15 1 1 A 41 41 SER N N 41 123.399 121.859 1.540 1
1 405 . 15 1 1 A 42 42 PHE H H 42 8.344 8.548 -0.204 1
1 406 . 15 1 1 A 42 42 PHE HA H 42 5.888 5.769 0.119 1
1 414 . 15 1 1 A 42 42 PHE C C 42 175.198 174.891 0.307 1
1 415 . 15 1 1 A 42 42 PHE CA C 42 54.335 55.426 -1.091 1
1 416 . 15 1 1 A 42 42 PHE CB C 42 43.360 42.021 1.339 1
1 422 . 15 1 1 A 42 42 PHE N N 42 117.935 119.760 -1.825 1
1 423 . 15 1 1 A 43 43 SER H H 43 8.843 8.803 0.040 1
1 424 . 15 1 1 A 43 43 SER HA H 43 4.918 5.035 -0.117 1
1 427 . 15 1 1 A 43 43 SER C C 43 175.040 174.532 0.508 1
1 428 . 15 1 1 A 43 43 SER CA C 43 58.215 57.660 0.555 1
1 429 . 15 1 1 A 43 43 SER CB C 43 66.789 66.102 0.687 1
1 430 . 15 1 1 A 43 43 SER N N 43 117.280 115.655 1.625 1
1 431 . 15 1 1 A 44 44 ASP H H 44 8.818 8.526 0.292 1
1 432 . 15 1 1 A 44 44 ASP HA H 44 4.909 4.872 0.037 1
1 435 . 15 1 1 A 44 44 ASP C C 44 175.955 175.784 0.171 1
1 436 . 15 1 1 A 44 44 ASP CA C 44 54.815 52.554 2.261 1
1 437 . 15 1 1 A 44 44 ASP CB C 44 41.729 41.988 -0.259 1
1 438 . 15 1 1 A 44 44 ASP N N 44 120.846 119.249 1.597 1
1 439 . 15 1 1 A 45 45 ASP H H 45 8.726 8.592 0.134 1
1 440 . 15 1 1 A 45 45 ASP HA H 45 4.273 4.277 -0.004 1
1 443 . 15 1 1 A 45 45 ASP C C 45 177.889 177.760 0.129 1
1 444 . 15 1 1 A 45 45 ASP CA C 45 54.145 54.983 -0.838 1
1 445 . 15 1 1 A 45 45 ASP CB C 45 41.329 40.929 0.400 1
1 446 . 15 1 1 A 45 45 ASP N N 45 120.848 120.240 0.608 1
1 447 . 15 1 1 A 46 46 ILE H H 46 8.369 8.475 -0.106 1
1 448 . 15 1 1 A 46 46 ILE HA H 46 4.079 3.931 0.148 1
1 458 . 15 1 1 A 46 46 ILE C C 46 177.339 177.123 0.216 1
1 459 . 15 1 1 A 46 46 ILE CA C 46 62.357 63.649 -1.292 1
1 460 . 15 1 1 A 46 46 ILE CB C 46 38.708 37.960 0.748 1
1 464 . 15 1 1 A 46 46 ILE N N 46 123.832 123.179 0.653 1
1 465 . 15 1 1 A 47 47 GLU H H 47 8.577 8.245 0.332 1
1 466 . 15 1 1 A 47 47 GLU HA H 47 4.258 4.559 -0.301 1
1 471 . 15 1 1 A 47 47 GLU C C 47 177.164 177.278 -0.114 1
1 472 . 15 1 1 A 47 47 GLU CA C 47 57.249 56.903 0.346 1
1 473 . 15 1 1 A 47 47 GLU CB C 47 29.900 31.325 -1.425 1
1 475 . 15 1 1 A 47 47 GLU N N 47 122.294 120.398 1.896 1
1 476 . 15 1 1 A 48 48 GLN H H 48 7.894 7.672 0.222 1
1 477 . 15 1 1 A 48 48 GLN HA H 48 4.365 4.493 -0.128 1
1 484 . 15 1 1 A 48 48 GLN C C 48 176.278 175.128 1.150 1
1 485 . 15 1 1 A 48 48 GLN CA C 48 55.830 55.205 0.625 1
1 486 . 15 1 1 A 48 48 GLN CB C 48 29.383 28.927 0.456 1
1 488 . 15 1 1 A 48 48 GLN N N 48 118.968 117.499 1.469 1
1 490 . 15 1 1 A 49 49 THR H H 49 8.048 7.557 0.491 1
1 491 . 15 1 1 A 49 49 THR HA H 49 4.331 4.135 0.196 1
1 496 . 15 1 1 A 49 49 THR C C 49 174.784 174.723 0.061 1
1 497 . 15 1 1 A 49 49 THR CA C 49 62.135 62.552 -0.417 1
1 498 . 15 1 1 A 49 49 THR CB C 49 69.736 69.243 0.493 1
1 500 . 15 1 1 A 49 49 THR N N 49 114.601 113.075 1.526 1
1 501 . 15 1 1 A 50 50 MET H H 50 8.409 8.822 -0.413 1
1 502 . 15 1 1 A 50 50 MET HA H 50 4.510 4.716 -0.206 1
1 510 . 15 1 1 A 50 50 MET C C 50 176.451 176.151 0.300 1
1 511 . 15 1 1 A 50 50 MET CA C 50 55.601 54.283 1.318 1
1 512 . 15 1 1 A 50 50 MET CB C 50 32.850 31.526 1.324 1
1 515 . 15 1 1 A 50 50 MET N N 50 122.660 124.123 -1.463 1
1 516 . 15 1 1 A 51 51 GLU H H 51 8.418 7.447 0.971 1
1 517 . 15 1 1 A 51 51 GLU HA H 51 4.272 4.339 -0.067 1
1 522 . 15 1 1 A 51 51 GLU C C 51 176.777 177.434 -0.657 1
1 523 . 15 1 1 A 51 51 GLU CA C 51 56.680 56.206 0.474 1
1 524 . 15 1 1 A 51 51 GLU CB C 51 30.262 30.350 -0.088 1
1 526 . 15 1 1 A 51 51 GLU N N 51 121.650 119.047 2.603 1
1 527 . 15 1 1 A 52 52 GLU H H 52 8.325 8.735 -0.410 1
1 528 . 15 1 1 A 52 52 GLU HA H 52 4.174 4.023 0.151 1
1 533 . 15 1 1 A 52 52 GLU C C 52 176.178 177.009 -0.831 1
1 534 . 15 1 1 A 52 52 GLU N N 52 120.869 122.397 -1.528 1
1 535 . 15 1 1 A 53 53 ASP H H 53 8.320 7.685 0.635 1
1 536 . 15 1 1 A 53 53 ASP HA H 53 4.527 4.867 -0.340 1
1 539 . 15 1 1 A 53 53 ASP C C 53 175.650 175.227 0.423 1
1 540 . 15 1 1 A 53 53 ASP CA C 53 54.322 53.132 1.190 1
1 541 . 15 1 1 A 53 53 ASP CB C 53 41.040 41.505 -0.465 1
1 542 . 15 1 1 A 53 53 ASP N N 53 119.656 116.467 3.189 1
1 543 . 15 1 1 A 54 54 ASN H H 54 8.134 8.268 -0.134 1
1 544 . 15 1 1 A 54 54 ASN HA H 54 4.970 4.410 0.560 1
1 549 . 15 1 1 A 54 54 ASN CA C 54 51.120 53.884 -2.764 1
1 550 . 15 1 1 A 54 54 ASN CB C 54 39.125 37.009 2.116 1
1 551 . 15 1 1 A 54 54 ASN N N 54 118.436 113.960 4.476 1
1 553 . 15 1 1 A 55 55 PRO HA H 55 4.394 4.330 0.064 1
1 560 . 15 1 1 A 55 55 PRO C C 55 177.514 176.878 0.636 1
1 561 . 15 1 1 A 55 55 PRO CA C 55 63.910 65.576 -1.666 1
1 562 . 15 1 1 A 55 55 PRO CB C 55 32.077 31.548 0.529 1
1 565 . 15 1 1 A 56 56 LEU H H 56 8.181 7.771 0.410 1
1 566 . 15 1 1 A 56 56 LEU HA H 56 4.268 4.812 -0.544 1
1 576 . 15 1 1 A 56 56 LEU C C 56 178.176 174.752 3.424 1
1 577 . 15 1 1 A 56 56 LEU CA C 56 55.542 53.977 1.565 1
1 578 . 15 1 1 A 56 56 LEU CB C 56 41.783 44.894 -3.111 1
1 582 . 15 1 1 A 56 56 LEU N N 56 120.122 117.431 2.691 1
1 583 . 15 1 1 A 57 57 GLY H H 57 8.071 9.062 -0.991 1
1 584 . 15 1 1 A 57 57 GLY HA2 H 57 3.946 4.192 -0.246 1
1 585 . 15 1 1 A 57 57 GLY HA3 H 57 3.946 4.193 -0.247 1
1 586 . 15 1 1 A 57 57 GLY C C 57 174.306 173.435 0.871 1
1 587 . 15 1 1 A 57 57 GLY CA C 57 45.460 45.411 0.049 1
1 588 . 15 1 1 A 57 57 GLY N N 57 108.437 114.083 -5.646 1
1 589 . 15 1 1 A 58 58 SER H H 58 8.170 8.944 -0.774 1
1 590 . 15 1 1 A 58 58 SER HA H 58 4.460 4.448 0.012 1
1 593 . 15 1 1 A 58 58 SER C C 58 174.785 174.808 -0.023 1
1 594 . 15 1 1 A 58 58 SER CA C 58 58.319 58.948 -0.629 1
1 595 . 15 1 1 A 58 58 SER CB C 58 63.792 63.528 0.264 1
1 596 . 15 1 1 A 58 58 SER N N 58 115.478 121.276 -5.798 1
1 597 . 15 1 1 A 59 59 LEU H H 59 8.278 8.538 -0.260 1
1 598 . 15 1 1 A 59 59 LEU HA H 59 4.384 4.172 0.212 1
1 608 . 15 1 1 A 59 59 LEU CA C 59 55.219 57.526 -2.307 1
1 609 . 15 1 1 A 59 59 LEU CB C 59 42.377 42.185 0.192 1
1 613 . 15 1 1 A 59 59 LEU N N 59 124.033 126.230 -2.197 1
1 614 . 15 1 1 A 60 60 CYS H H 60 8.331 7.893 0.438 1
1 615 . 15 1 1 A 60 60 CYS HA H 60 4.398 4.552 -0.154 1
1 618 . 15 1 1 A 60 60 CYS C C 60 174.142 174.088 0.054 1
1 619 . 15 1 1 A 60 60 CYS CA C 60 58.505 57.666 0.839 1
1 620 . 15 1 1 A 60 60 CYS CB C 60 27.338 28.095 -0.757 1
1 621 . 15 1 1 A 60 60 CYS N N 60 120.390 115.152 5.238 1
1 622 . 15 1 1 A 61 61 ARG H H 61 8.632 8.604 0.028 1
1 623 . 15 1 1 A 61 61 ARG HA H 61 4.337 4.172 0.165 1
1 630 . 15 1 1 A 61 61 ARG C C 61 176.096 175.866 0.230 1
1 631 . 15 1 1 A 61 61 ARG CA C 61 56.003 56.736 -0.733 1
1 632 . 15 1 1 A 61 61 ARG CB C 61 30.757 31.863 -1.106 1
1 635 . 15 1 1 A 61 61 ARG N N 61 125.869 125.703 0.166 1
1 636 . 15 1 1 A 62 62 GLY H H 62 7.263 6.794 0.469 1
1 637 . 15 1 1 A 62 62 GLY HA2 H 62 3.008 3.600 -0.592 1
1 638 . 15 1 1 A 62 62 GLY HA3 H 62 3.875 3.847 0.028 1
1 639 . 15 1 1 A 62 62 GLY C C 62 170.609 171.030 -0.421 1
1 640 . 15 1 1 A 62 62 GLY CA C 62 44.808 45.066 -0.258 1
1 641 . 15 1 1 A 62 62 GLY N N 62 107.908 106.136 1.772 1
1 642 . 15 1 1 A 63 63 ILE H H 63 7.895 8.336 -0.441 1
1 643 . 15 1 1 A 63 63 ILE HA H 63 4.843 5.287 -0.444 1
1 653 . 15 1 1 A 63 63 ILE C C 63 175.450 174.934 0.516 1
1 654 . 15 1 1 A 63 63 ILE CA C 63 60.322 59.664 0.658 1
1 655 . 15 1 1 A 63 63 ILE CB C 63 41.957 42.173 -0.216 1
1 659 . 15 1 1 A 63 63 ILE N N 63 117.987 121.298 -3.311 1
1 660 . 15 1 1 A 64 64 LEU H H 64 9.429 9.206 0.223 1
1 661 . 15 1 1 A 64 64 LEU HA H 64 4.916 4.723 0.193 1
1 671 . 15 1 1 A 64 64 LEU C C 64 176.136 176.436 -0.300 1
1 672 . 15 1 1 A 64 64 LEU CA C 64 53.059 53.988 -0.929 1
1 673 . 15 1 1 A 64 64 LEU CB C 64 43.788 41.888 1.900 1
1 677 . 15 1 1 A 64 64 LEU N N 64 127.063 126.670 0.393 1
1 678 . 15 1 1 A 65 65 ASP H H 65 9.241 9.137 0.104 1
1 679 . 15 1 1 A 65 65 ASP HA H 65 4.818 4.335 0.483 1
1 682 . 15 1 1 A 65 65 ASP C C 65 177.925 176.464 1.461 1
1 683 . 15 1 1 A 65 65 ASP CA C 65 53.628 57.168 -3.540 1
1 684 . 15 1 1 A 65 65 ASP CB C 65 40.307 40.641 -0.334 1
1 685 . 15 1 1 A 65 65 ASP N N 65 122.728 125.722 -2.994 1
1 686 . 15 1 1 A 66 66 LEU H H 66 8.766 8.011 0.755 1
1 687 . 15 1 1 A 66 66 LEU HA H 66 4.212 4.100 0.112 1
1 697 . 15 1 1 A 66 66 LEU C C 66 177.167 176.635 0.532 1
1 698 . 15 1 1 A 66 66 LEU CA C 66 57.854 56.551 1.303 1
1 699 . 15 1 1 A 66 66 LEU CB C 66 41.006 40.282 0.724 1
1 703 . 15 1 1 A 66 66 LEU N N 66 126.997 116.666 10.331 1
1 704 . 15 1 1 A 67 67 ASN H H 67 8.585 8.315 0.270 1
1 705 . 15 1 1 A 67 67 ASN HA H 67 4.721 4.894 -0.173 1
1 710 . 15 1 1 A 67 67 ASN C C 67 176.583 175.683 0.900 1
1 711 . 15 1 1 A 67 67 ASN CA C 67 55.648 53.856 1.792 1
1 712 . 15 1 1 A 67 67 ASN CB C 67 38.464 39.950 -1.486 1
1 713 . 15 1 1 A 67 67 ASN N N 67 113.883 115.889 -2.006 1
1 715 . 15 1 1 A 68 68 THR H H 68 8.007 8.059 -0.052 1
1 716 . 15 1 1 A 68 68 THR HA H 68 4.513 4.635 -0.122 1
1 721 . 15 1 1 A 68 68 THR C C 68 172.870 173.617 -0.747 1
1 722 . 15 1 1 A 68 68 THR CA C 68 61.441 60.323 1.118 1
1 723 . 15 1 1 A 68 68 THR CB C 68 69.432 68.823 0.609 1
1 725 . 15 1 1 A 68 68 THR N N 68 108.340 105.971 2.369 1
1 726 . 15 1 1 A 69 69 TYR H H 69 7.560 8.168 -0.608 1
1 727 . 15 1 1 A 69 69 TYR HA H 69 5.199 5.460 -0.261 1
1 734 . 15 1 1 A 69 69 TYR C C 69 174.283 174.547 -0.264 1
1 735 . 15 1 1 A 69 69 TYR CA C 69 57.848 56.355 1.493 1
1 736 . 15 1 1 A 69 69 TYR CB C 69 44.393 43.636 0.757 1
1 741 . 15 1 1 A 69 69 TYR N N 69 119.888 121.558 -1.670 1
1 742 . 15 1 1 A 70 70 ASN H H 70 9.116 9.033 0.083 1
1 743 . 15 1 1 A 70 70 ASN HA H 70 5.162 5.457 -0.295 1
1 748 . 15 1 1 A 70 70 ASN C C 70 174.340 174.219 0.121 1
1 749 . 15 1 1 A 70 70 ASN CA C 70 52.364 52.573 -0.209 1
1 750 . 15 1 1 A 70 70 ASN CB C 70 42.062 43.002 -0.940 1
1 751 . 15 1 1 A 70 70 ASN N N 70 116.071 117.675 -1.604 1
1 753 . 15 1 1 A 71 71 VAL H H 71 8.564 9.018 -0.454 1
1 754 . 15 1 1 A 71 71 VAL HA H 71 5.766 4.895 0.871 1
1 762 . 15 1 1 A 71 71 VAL C C 71 173.261 175.602 -2.341 1
1 763 . 15 1 1 A 71 71 VAL CA C 71 59.076 61.942 -2.866 1
1 764 . 15 1 1 A 71 71 VAL CB C 71 34.982 33.084 1.898 1
1 767 . 15 1 1 A 71 71 VAL N N 71 120.784 124.527 -3.743 1
1 768 . 15 1 1 A 72 72 VAL H H 72 9.308 8.632 0.676 1
1 769 . 15 1 1 A 72 72 VAL HA H 72 4.806 4.644 0.162 1
1 777 . 15 1 1 A 72 72 VAL C C 72 175.047 173.925 1.122 1
1 778 . 15 1 1 A 72 72 VAL CA C 72 60.330 59.775 0.555 1
1 779 . 15 1 1 A 72 72 VAL CB C 72 36.467 34.904 1.563 1
1 782 . 15 1 1 A 72 72 VAL N N 72 125.272 120.902 4.370 1
1 783 . 15 1 1 A 73 73 LYS H H 73 8.793 8.222 0.571 1
1 784 . 15 1 1 A 73 73 LYS HA H 73 4.652 2.996 1.656 1
1 793 . 15 1 1 A 73 73 LYS C C 73 176.241 174.775 1.466 1
1 794 . 15 1 1 A 73 73 LYS CA C 73 55.799 55.710 0.089 1
1 795 . 15 1 1 A 73 73 LYS CB C 73 33.452 32.274 1.178 1
1 799 . 15 1 1 A 73 73 LYS N N 73 124.197 126.466 -2.269 1
1 800 . 15 1 1 A 74 74 ALA H H 74 8.172 8.382 -0.210 1
1 801 . 15 1 1 A 74 74 ALA HA H 74 4.849 4.275 0.574 1
1 805 . 15 1 1 A 74 74 ALA CA C 74 49.540 50.155 -0.615 1
1 806 . 15 1 1 A 74 74 ALA CB C 74 17.685 19.213 -1.528 1
1 807 . 15 1 1 A 74 74 ALA N N 74 128.026 130.013 -1.987 1
1 808 . 15 1 1 A 75 75 PRO HA H 75 4.351 4.344 0.007 1
1 815 . 15 1 1 A 75 75 PRO CA C 75 65.256 65.830 -0.574 1
1 816 . 15 1 1 A 75 75 PRO CB C 75 32.158 31.498 0.660 1
1 819 . 15 1 1 A 76 76 GLN H H 76 8.660 7.890 0.770 1
1 820 . 15 1 1 A 76 76 GLN HA H 76 4.561 4.183 0.378 1
1 825 . 15 1 1 A 76 76 GLN C C 76 176.426 176.943 -0.517 1
1 826 . 15 1 1 A 76 76 GLN CA C 76 55.168 56.775 -1.607 1
1 827 . 15 1 1 A 76 76 GLN CB C 76 28.925 28.843 0.082 1
1 829 . 15 1 1 A 76 76 GLN N N 76 116.110 116.406 -0.296 1
1 830 . 15 1 1 A 77 77 GLY H H 77 7.527 7.742 -0.215 1
1 831 . 15 1 1 A 77 77 GLY HA2 H 77 3.382 3.953 -0.571 1
1 832 . 15 1 1 A 77 77 GLY HA3 H 77 4.505 3.977 0.528 1
1 833 . 15 1 1 A 77 77 GLY C C 77 172.487 172.442 0.045 1
1 834 . 15 1 1 A 77 77 GLY CA C 77 44.852 44.823 0.029 1
1 835 . 15 1 1 A 77 77 GLY N N 77 107.608 107.263 0.345 1
1 836 . 15 1 1 A 78 78 LYS H H 78 8.123 8.356 -0.233 1
1 837 . 15 1 1 A 78 78 LYS HA H 78 4.191 5.000 -0.809 1
1 846 . 15 1 1 A 78 78 LYS C C 78 175.300 175.791 -0.491 1
1 847 . 15 1 1 A 78 78 LYS CA C 78 56.737 54.232 2.505 1
1 848 . 15 1 1 A 78 78 LYS CB C 78 35.900 35.498 0.402 1
1 852 . 15 1 1 A 78 78 LYS N N 78 117.756 120.209 -2.453 1
1 853 . 15 1 1 A 79 79 ASN H H 79 9.105 8.815 0.290 1
1 854 . 15 1 1 A 79 79 ASN HA H 79 4.099 4.142 -0.043 1
1 859 . 15 1 1 A 79 79 ASN C C 79 175.098 174.896 0.202 1
1 860 . 15 1 1 A 79 79 ASN CA C 79 54.563 55.384 -0.821 1
1 861 . 15 1 1 A 79 79 ASN CB C 79 37.353 36.945 0.408 1
1 862 . 15 1 1 A 79 79 ASN N N 79 120.643 120.421 0.222 1
1 864 . 15 1 1 A 80 80 GLN H H 80 8.608 8.358 0.250 1
1 865 . 15 1 1 A 80 80 GLN HA H 80 3.648 4.453 -0.805 1
1 870 . 15 1 1 A 80 80 GLN C C 80 175.327 174.952 0.375 1
1 871 . 15 1 1 A 80 80 GLN CA C 80 57.975 55.577 2.398 1
1 872 . 15 1 1 A 80 80 GLN CB C 80 26.506 30.462 -3.956 1
1 874 . 15 1 1 A 80 80 GLN N N 80 108.385 121.622 -13.237 1
1 875 . 15 1 1 A 81 81 LYS H H 81 7.608 7.807 -0.199 1
1 876 . 15 1 1 A 81 81 LYS HA H 81 4.325 4.484 -0.159 1
1 885 . 15 1 1 A 81 81 LYS C C 81 176.242 175.800 0.442 1
1 886 . 15 1 1 A 81 81 LYS CA C 81 54.186 54.597 -0.411 1
1 887 . 15 1 1 A 81 81 LYS CB C 81 33.385 33.917 -0.532 1
1 891 . 15 1 1 A 81 81 LYS N N 81 119.675 120.259 -0.584 1
1 892 . 15 1 1 A 82 82 SER H H 82 7.692 8.346 -0.654 1
1 893 . 15 1 1 A 82 82 SER HA H 82 3.850 4.429 -0.579 1
1 896 . 15 1 1 A 82 82 SER C C 82 174.045 173.712 0.333 1
1 897 . 15 1 1 A 82 82 SER CA C 82 60.984 60.233 0.751 1
1 898 . 15 1 1 A 82 82 SER CB C 82 62.962 64.091 -1.129 1
1 899 . 15 1 1 A 82 82 SER N N 82 117.008 114.640 2.368 1
1 900 . 15 1 1 A 83 83 PHE H H 83 8.545 7.560 0.985 1
1 901 . 15 1 1 A 83 83 PHE HA H 83 4.921 4.740 0.181 1
1 908 . 15 1 1 A 83 83 PHE C C 83 172.686 175.188 -2.502 1
1 909 . 15 1 1 A 83 83 PHE CA C 83 55.383 57.092 -1.709 1
1 910 . 15 1 1 A 83 83 PHE CB C 83 37.774 38.305 -0.531 1
1 915 . 15 1 1 A 83 83 PHE N N 83 124.073 117.080 6.993 1
1 916 . 15 1 1 A 84 84 VAL H H 84 8.420 8.740 -0.320 1
1 917 . 15 1 1 A 84 84 VAL HA H 84 5.348 5.230 0.118 1
1 925 . 15 1 1 A 84 84 VAL C C 84 175.816 174.847 0.969 1
1 926 . 15 1 1 A 84 84 VAL CA C 84 60.177 60.623 -0.446 1
1 927 . 15 1 1 A 84 84 VAL CB C 84 37.646 35.540 2.106 1
1 930 . 15 1 1 A 84 84 VAL N N 84 123.085 123.391 -0.306 1
1 931 . 15 1 1 A 85 85 PHE H H 85 8.812 9.140 -0.328 1
1 932 . 15 1 1 A 85 85 PHE HA H 85 5.510 5.166 0.344 1
1 940 . 15 1 1 A 85 85 PHE C C 85 171.610 174.522 -2.912 1
1 941 . 15 1 1 A 85 85 PHE CA C 85 55.360 56.180 -0.820 1
1 942 . 15 1 1 A 85 85 PHE CB C 85 41.424 41.109 0.315 1
1 948 . 15 1 1 A 85 85 PHE N N 85 122.454 123.399 -0.945 1
1 949 . 15 1 1 A 86 86 ILE H H 86 9.406 9.131 0.275 1
1 950 . 15 1 1 A 86 86 ILE HA H 86 4.844 5.092 -0.248 1
1 960 . 15 1 1 A 86 86 ILE C C 86 175.559 175.054 0.505 1
1 961 . 15 1 1 A 86 86 ILE CA C 86 60.323 60.260 0.063 1
1 962 . 15 1 1 A 86 86 ILE CB C 86 42.374 40.243 2.131 1
1 966 . 15 1 1 A 86 86 ILE N N 86 120.483 123.983 -3.500 1
1 967 . 15 1 1 A 87 87 LEU H H 87 9.450 9.249 0.201 1
1 968 . 15 1 1 A 87 87 LEU HA H 87 5.238 5.585 -0.347 1
1 978 . 15 1 1 A 87 87 LEU C C 87 175.145 175.712 -0.567 1
1 979 . 15 1 1 A 87 87 LEU CA C 87 52.778 53.319 -0.541 1
1 980 . 15 1 1 A 87 87 LEU CB C 87 40.657 43.723 -3.066 1
1 984 . 15 1 1 A 87 87 LEU N N 87 126.149 127.575 -1.426 1
1 985 . 15 1 1 A 88 88 GLU H H 88 9.120 9.195 -0.075 1
1 986 . 15 1 1 A 88 88 GLU HA H 88 4.986 4.937 0.049 1
1 991 . 15 1 1 A 88 88 GLU CA C 88 52.677 52.823 -0.146 1
1 992 . 15 1 1 A 88 88 GLU CB C 88 31.511 30.656 0.855 1
1 994 . 15 1 1 A 88 88 GLU N N 88 126.028 124.176 1.852 1
1 995 . 15 1 1 A 89 89 PRO HA H 89 4.239 3.846 0.393 1
1 1002 . 15 1 1 A 89 89 PRO C C 89 177.398 176.867 0.531 1
1 1003 . 15 1 1 A 89 89 PRO CA C 89 63.214 62.481 0.733 1
1 1004 . 15 1 1 A 89 89 PRO CB C 89 32.855 32.392 0.463 1
1 1007 . 15 1 1 A 90 90 LYS H H 90 8.166 8.608 -0.442 1
1 1008 . 15 1 1 A 90 90 LYS HA H 90 4.041 4.492 -0.451 1
1 1017 . 15 1 1 A 90 90 LYS C C 90 177.384 177.132 0.252 1
1 1018 . 15 1 1 A 90 90 LYS CA C 90 58.404 56.083 2.321 1
1 1019 . 15 1 1 A 90 90 LYS CB C 90 33.133 33.100 0.033 1
1 1023 . 15 1 1 A 90 90 LYS N N 90 121.350 120.848 0.502 1
1 1024 . 15 1 1 A 91 91 GLN H H 91 8.252 7.836 0.416 1
1 1025 . 15 1 1 A 91 91 GLN HA H 91 4.423 4.042 0.381 1
1 1032 . 15 1 1 A 91 91 GLN C C 91 175.039 176.693 -1.654 1
1 1033 . 15 1 1 A 91 91 GLN CA C 91 54.303 58.434 -4.131 1
1 1034 . 15 1 1 A 91 91 GLN CB C 91 29.208 28.629 0.579 1
1 1036 . 15 1 1 A 91 91 GLN N N 91 118.759 119.386 -0.627 1
1 1038 . 15 1 1 A 92 92 GLN H H 92 8.460 7.669 0.791 1
1 1039 . 15 1 1 A 92 92 GLN HA H 92 4.057 4.436 -0.379 1
1 1044 . 15 1 1 A 92 92 GLN C C 92 177.080 175.751 1.329 1
1 1045 . 15 1 1 A 92 92 GLN CA C 92 57.446 56.015 1.431 1
1 1046 . 15 1 1 A 92 92 GLN CB C 92 28.472 29.252 -0.780 1
1 1048 . 15 1 1 A 92 92 GLN N N 92 124.928 113.818 11.110 1
1 1049 . 15 1 1 A 93 93 GLY H H 93 8.870 7.838 1.032 1
1 1050 . 15 1 1 A 93 93 GLY HA2 H 93 3.639 4.014 -0.375 1
1 1051 . 15 1 1 A 93 93 GLY HA3 H 93 4.338 4.019 0.319 1
1 1052 . 15 1 1 A 93 93 GLY C C 93 174.298 174.058 0.240 1
1 1053 . 15 1 1 A 93 93 GLY CA C 93 45.336 45.307 0.029 1
1 1054 . 15 1 1 A 93 93 GLY N N 93 113.393 107.844 5.549 1
1 1055 . 15 1 1 A 94 94 ASP H H 94 7.546 7.469 0.077 1
1 1056 . 15 1 1 A 94 94 ASP HA H 94 5.056 4.724 0.332 1
1 1059 . 15 1 1 A 94 94 ASP CA C 94 52.662 52.848 -0.186 1
1 1060 . 15 1 1 A 94 94 ASP CB C 94 40.179 39.949 0.230 1
1 1061 . 15 1 1 A 94 94 ASP N N 94 123.111 121.187 1.924 1
1 1062 . 15 1 1 A 95 95 PRO HA H 95 4.933 4.711 0.222 1
1 1069 . 15 1 1 A 95 95 PRO CA C 95 61.243 61.689 -0.446 1
1 1070 . 15 1 1 A 95 95 PRO CB C 95 31.234 32.248 -1.014 1
1 1073 . 15 1 1 A 96 96 PRO HA H 96 5.190 4.961 0.229 1
1 1080 . 15 1 1 A 96 96 PRO C C 96 176.664 175.662 1.002 1
1 1081 . 15 1 1 A 96 96 PRO CA C 96 62.399 62.496 -0.097 1
1 1082 . 15 1 1 A 96 96 PRO CB C 96 32.850 33.023 -0.173 1
1 1085 . 15 1 1 A 97 97 VAL H H 97 8.448 8.257 0.191 1
1 1086 . 15 1 1 A 97 97 VAL HA H 97 4.145 4.659 -0.514 1
1 1094 . 15 1 1 A 97 97 VAL C C 97 174.020 175.004 -0.984 1
1 1095 . 15 1 1 A 97 97 VAL CA C 97 61.710 60.678 1.032 1
1 1096 . 15 1 1 A 97 97 VAL CB C 97 33.977 35.313 -1.336 1
1 1099 . 15 1 1 A 97 97 VAL N N 97 121.904 119.990 1.914 1
1 1100 . 15 1 1 A 98 98 GLU H H 98 8.599 8.606 -0.007 1
1 1101 . 15 1 1 A 98 98 GLU HA H 98 4.778 5.102 -0.324 1
1 1106 . 15 1 1 A 98 98 GLU C C 98 173.807 175.822 -2.015 1
1 1107 . 15 1 1 A 98 98 GLU CA C 98 55.674 55.122 0.552 1
1 1108 . 15 1 1 A 98 98 GLU CB C 98 30.827 32.261 -1.434 1
1 1110 . 15 1 1 A 98 98 GLU N N 98 126.577 126.468 0.109 1
1 1111 . 15 1 1 A 99 99 PHE H H 99 8.701 8.923 -0.222 1
1 1112 . 15 1 1 A 99 99 PHE HA H 99 5.773 5.843 -0.070 1
1 1120 . 15 1 1 A 99 99 PHE C C 99 174.648 175.016 -0.368 1
1 1121 . 15 1 1 A 99 99 PHE CA C 99 55.799 57.097 -1.298 1
1 1122 . 15 1 1 A 99 99 PHE CB C 99 44.025 43.799 0.226 1
1 1128 . 15 1 1 A 99 99 PHE N N 99 120.755 121.056 -0.301 1
1 1129 . 15 1 1 A 100 100 ALA H H 100 8.737 8.910 -0.173 1
1 1130 . 15 1 1 A 100 100 ALA HA H 100 5.669 5.208 0.461 1
1 1134 . 15 1 1 A 100 100 ALA C C 100 176.491 176.280 0.211 1
1 1135 . 15 1 1 A 100 100 ALA CA C 100 49.850 51.457 -1.607 1
1 1136 . 15 1 1 A 100 100 ALA CB C 100 23.399 23.374 0.025 1
1 1137 . 15 1 1 A 100 100 ALA N N 100 118.211 121.973 -3.762 1
1 1138 . 15 1 1 A 101 101 THR H H 101 8.272 8.726 -0.454 1
1 1139 . 15 1 1 A 101 101 THR HA H 101 5.232 4.920 0.312 1
1 1144 . 15 1 1 A 101 101 THR C C 101 174.787 173.498 1.289 1
1 1145 . 15 1 1 A 101 101 THR CA C 101 59.068 60.380 -1.312 1
1 1146 . 15 1 1 A 101 101 THR CB C 101 70.089 71.731 -1.642 1
1 1148 . 15 1 1 A 101 101 THR N N 101 108.062 110.112 -2.050 1
1 1149 . 15 1 1 A 102 102 ASP H H 102 8.625 8.706 -0.081 1
1 1150 . 15 1 1 A 102 102 ASP HA H 102 5.009 4.916 0.093 1
1 1153 . 15 1 1 A 102 102 ASP C C 102 177.730 175.301 2.429 1
1 1154 . 15 1 1 A 102 102 ASP CA C 102 56.976 53.907 3.069 1
1 1155 . 15 1 1 A 102 102 ASP CB C 102 42.543 42.682 -0.139 1
1 1156 . 15 1 1 A 102 102 ASP N N 102 118.482 118.262 0.220 1
1 1157 . 15 1 1 A 103 103 ARG H H 103 8.208 7.473 0.735 1
1 1158 . 15 1 1 A 103 103 ARG HA H 103 4.772 4.926 -0.154 1
1 1165 . 15 1 1 A 103 103 ARG C C 103 178.000 176.166 1.834 1
1 1166 . 15 1 1 A 103 103 ARG CA C 103 54.079 53.986 0.093 1
1 1167 . 15 1 1 A 103 103 ARG CB C 103 33.914 34.539 -0.625 1
1 1170 . 15 1 1 A 103 103 ARG N N 103 116.043 117.512 -1.469 1
1 1171 . 15 1 1 A 104 104 VAL H H 104 8.516 8.788 -0.272 1
1 1172 . 15 1 1 A 104 104 VAL HA H 104 2.857 3.759 -0.902 1
1 1180 . 15 1 1 A 104 104 VAL C C 104 176.158 177.518 -1.360 1
1 1181 . 15 1 1 A 104 104 VAL CA C 104 64.625 64.787 -0.162 1
1 1182 . 15 1 1 A 104 104 VAL CB C 104 30.883 31.645 -0.762 1
1 1185 . 15 1 1 A 104 104 VAL N N 104 128.496 122.000 6.496 1
1 1186 . 15 1 1 A 105 105 GLU H H 105 9.414 8.196 1.218 1
1 1187 . 15 1 1 A 105 105 GLU HA H 105 3.989 4.091 -0.102 1
1 1192 . 15 1 1 A 105 105 GLU C C 105 179.982 179.621 0.361 1
1 1193 . 15 1 1 A 105 105 GLU CA C 105 60.599 59.603 0.996 1
1 1194 . 15 1 1 A 105 105 GLU CB C 105 27.973 29.404 -1.431 1
1 1196 . 15 1 1 A 105 105 GLU N N 105 121.934 121.955 -0.021 1
1 1197 . 15 1 1 A 106 106 GLU H H 106 6.769 8.273 -1.504 1
1 1198 . 15 1 1 A 106 106 GLU HA H 106 4.370 4.105 0.265 1
1 1203 . 15 1 1 A 106 106 GLU C C 106 178.312 179.323 -1.011 1
1 1204 . 15 1 1 A 106 106 GLU CA C 106 58.503 59.188 -0.685 1
1 1205 . 15 1 1 A 106 106 GLU CB C 106 30.657 29.263 1.394 1
1 1207 . 15 1 1 A 106 106 GLU N N 106 116.721 120.537 -3.816 1
1 1208 . 15 1 1 A 107 107 LEU H H 107 7.161 7.946 -0.785 1
1 1209 . 15 1 1 A 107 107 LEU HA H 107 4.040 4.147 -0.107 1
1 1219 . 15 1 1 A 107 107 LEU C C 107 177.985 178.325 -0.340 1
1 1220 . 15 1 1 A 107 107 LEU CA C 107 58.930 58.099 0.831 1
1 1221 . 15 1 1 A 107 107 LEU CB C 107 40.058 42.025 -1.967 1
1 1225 . 15 1 1 A 107 107 LEU N N 107 122.171 122.480 -0.309 1
1 1226 . 15 1 1 A 108 108 PHE H H 108 7.986 8.259 -0.273 1
1 1227 . 15 1 1 A 108 108 PHE HA H 108 4.199 4.034 0.165 1
1 1234 . 15 1 1 A 108 108 PHE C C 108 178.069 177.820 0.249 1
1 1235 . 15 1 1 A 108 108 PHE CA C 108 61.167 60.896 0.271 1
1 1236 . 15 1 1 A 108 108 PHE CB C 108 38.208 38.508 -0.300 1
1 1241 . 15 1 1 A 108 108 PHE N N 108 116.696 119.320 -2.624 1
1 1242 . 15 1 1 A 109 109 GLU H H 109 7.719 8.506 -0.787 1
1 1243 . 15 1 1 A 109 109 GLU HA H 109 3.951 4.054 -0.103 1
1 1248 . 15 1 1 A 109 109 GLU C C 109 179.858 179.108 0.750 1
1 1249 . 15 1 1 A 109 109 GLU CA C 109 59.664 59.175 0.489 1
1 1250 . 15 1 1 A 109 109 GLU CB C 109 29.923 29.419 0.504 1
1 1252 . 15 1 1 A 109 109 GLU N N 109 119.214 119.560 -0.346 1
1 1253 . 15 1 1 A 110 110 TRP H H 110 8.445 7.904 0.541 1
1 1254 . 15 1 1 A 110 110 TRP HA H 110 3.634 4.217 -0.583 1
1 1263 . 15 1 1 A 110 110 TRP C C 110 177.691 178.915 -1.224 1
1 1264 . 15 1 1 A 110 110 TRP CA C 110 62.078 60.134 1.944 1
1 1265 . 15 1 1 A 110 110 TRP CB C 110 29.275 28.924 0.351 1
1 1271 . 15 1 1 A 110 110 TRP N N 110 120.045 120.707 -0.662 1
1 1273 . 15 1 1 A 111 111 PHE H H 111 8.668 7.883 0.785 1
1 1274 . 15 1 1 A 111 111 PHE HA H 111 3.436 4.060 -0.624 1
1 1282 . 15 1 1 A 111 111 PHE C C 111 176.547 177.745 -1.198 1
1 1283 . 15 1 1 A 111 111 PHE CA C 111 62.182 61.249 0.933 1
1 1284 . 15 1 1 A 111 111 PHE CB C 111 39.904 37.297 2.607 1
1 1290 . 15 1 1 A 111 111 PHE N N 111 117.907 117.538 0.369 1
1 1291 . 15 1 1 A 112 112 GLN H H 112 8.254 8.018 0.236 1
1 1292 . 15 1 1 A 112 112 GLN HA H 112 3.685 3.906 -0.221 1
1 1299 . 15 1 1 A 112 112 GLN C C 112 178.503 178.302 0.201 1
1 1300 . 15 1 1 A 112 112 GLN CA C 112 58.624 58.689 -0.065 1
1 1301 . 15 1 1 A 112 112 GLN CB C 112 27.980 28.544 -0.564 1
1 1303 . 15 1 1 A 112 112 GLN N N 112 116.394 121.225 -4.831 1
1 1305 . 15 1 1 A 113 113 SER H H 113 7.741 7.671 0.070 1
1 1306 . 15 1 1 A 113 113 SER HA H 113 4.036 4.119 -0.083 1
1 1309 . 15 1 1 A 113 113 SER C C 113 176.428 175.819 0.609 1
1 1310 . 15 1 1 A 113 113 SER CA C 113 62.062 62.396 -0.334 1
1 1311 . 15 1 1 A 113 113 SER CB C 113 62.655 62.886 -0.231 1
1 1312 . 15 1 1 A 113 113 SER N N 113 114.734 117.125 -2.391 1
1 1313 . 15 1 1 A 114 114 ILE H H 114 7.915 7.788 0.127 1
1 1314 . 15 1 1 A 114 114 ILE HA H 114 3.559 3.658 -0.099 1
1 1324 . 15 1 1 A 114 114 ILE C C 114 178.594 178.297 0.297 1
1 1325 . 15 1 1 A 114 114 ILE CA C 114 65.364 65.146 0.218 1
1 1326 . 15 1 1 A 114 114 ILE CB C 114 38.395 37.467 0.928 1
1 1330 . 15 1 1 A 114 114 ILE N N 114 119.893 121.279 -1.386 1
1 1331 . 15 1 1 A 115 115 ARG H H 115 8.581 7.984 0.597 1
1 1332 . 15 1 1 A 115 115 ARG HA H 115 3.881 4.371 -0.490 1
1 1339 . 15 1 1 A 115 115 ARG C C 115 177.921 179.028 -1.107 1
1 1340 . 15 1 1 A 115 115 ARG CA C 115 58.689 59.307 -0.618 1
1 1341 . 15 1 1 A 115 115 ARG CB C 115 29.134 29.794 -0.660 1
1 1344 . 15 1 1 A 115 115 ARG N N 115 123.090 121.162 1.928 1
1 1345 . 15 1 1 A 116 116 GLU H H 116 7.653 7.968 -0.315 1
1 1346 . 15 1 1 A 116 116 GLU HA H 116 3.959 4.148 -0.189 1
1 1351 . 15 1 1 A 116 116 GLU C C 116 178.178 177.536 0.642 1
1 1352 . 15 1 1 A 116 116 GLU CA C 116 58.767 58.768 -0.001 1
1 1353 . 15 1 1 A 116 116 GLU CB C 116 29.501 29.665 -0.164 1
1 1355 . 15 1 1 A 116 116 GLU N N 116 116.356 118.799 -2.443 1
1 1356 . 15 1 1 A 117 117 ILE H H 117 7.334 7.689 -0.355 1
1 1357 . 15 1 1 A 117 117 ILE HA H 117 3.909 4.123 -0.214 1
1 1367 . 15 1 1 A 117 117 ILE C C 117 177.733 177.596 0.137 1
1 1368 . 15 1 1 A 117 117 ILE CA C 117 63.443 62.767 0.676 1
1 1369 . 15 1 1 A 117 117 ILE CB C 117 39.059 39.380 -0.321 1
1 1373 . 15 1 1 A 117 117 ILE N N 117 117.514 116.898 0.616 1
1 1374 . 15 1 1 A 118 118 THR H H 118 8.075 7.684 0.391 1
1 1375 . 15 1 1 A 118 118 THR HA H 118 4.367 4.401 -0.034 1
1 1380 . 15 1 1 A 118 118 THR C C 118 176.050 175.917 0.133 1
1 1381 . 15 1 1 A 118 118 THR CA C 118 63.494 64.103 -0.609 1
1 1382 . 15 1 1 A 118 118 THR CB C 118 70.326 69.647 0.679 1
1 1384 . 15 1 1 A 118 118 THR N N 118 109.879 112.293 -2.414 1
1 1385 . 15 1 1 A 119 119 TRP H H 119 8.283 8.326 -0.043 1
1 1386 . 15 1 1 A 119 119 TRP HA H 119 4.792 4.260 0.532 1
1 1395 . 15 1 1 A 119 119 TRP C C 119 175.855 175.845 0.010 1
1 1396 . 15 1 1 A 119 119 TRP CA C 119 57.464 60.335 -2.871 1
1 1397 . 15 1 1 A 119 119 TRP CB C 119 29.488 29.913 -0.425 1
1 1403 . 15 1 1 A 119 119 TRP N N 119 124.034 124.074 -0.040 1
1 1405 . 15 1 1 A 120 120 LYS H H 120 7.723 7.668 0.055 1
1 1406 . 15 1 1 A 120 120 LYS HA H 120 4.198 4.782 -0.584 1
1 1415 . 15 1 1 A 120 120 LYS C C 120 176.162 174.554 1.608 1
1 1416 . 15 1 1 A 120 120 LYS CA C 120 56.049 54.871 1.178 1
1 1417 . 15 1 1 A 120 120 LYS CB C 120 32.924 34.496 -1.572 1
1 1421 . 15 1 1 A 120 120 LYS N N 120 123.166 119.209 3.957 1
1 1422 . 15 1 1 A 121 121 ILE H H 121 7.874 8.448 -0.574 1
1 1423 . 15 1 1 A 121 121 ILE HA H 121 4.035 4.520 -0.485 1
1 1433 . 15 1 1 A 121 121 ILE C C 121 175.950 174.428 1.522 1
1 1434 . 15 1 1 A 121 121 ILE CA C 121 61.120 59.316 1.804 1
1 1435 . 15 1 1 A 121 121 ILE CB C 121 38.708 40.824 -2.116 1
1 1439 . 15 1 1 A 121 121 ILE N N 121 121.301 122.048 -0.747 1
1 1440 . 15 1 1 A 122 122 ASP H H 122 8.317 8.885 -0.568 1
1 1441 . 15 1 1 A 122 122 ASP HA H 122 4.677 4.197 0.480 1
1 1444 . 15 1 1 A 122 122 ASP C C 122 176.278 175.895 0.383 1
1 1445 . 15 1 1 A 122 122 ASP CA C 122 54.157 55.040 -0.883 1
1 1446 . 15 1 1 A 122 122 ASP CB C 122 41.316 39.020 2.296 1
1 1447 . 15 1 1 A 122 122 ASP N N 122 124.058 121.954 2.104 1
1 1448 . 15 1 1 A 123 123 THR H H 123 8.003 8.169 -0.166 1
1 1449 . 15 1 1 A 123 123 THR HA H 123 4.307 4.499 -0.192 1
1 1454 . 15 1 1 A 123 123 THR C C 123 173.831 174.762 -0.931 1
1 1455 . 15 1 1 A 123 123 THR CA C 123 61.715 63.218 -1.503 1
1 1456 . 15 1 1 A 123 123 THR CB C 123 69.736 70.792 -1.056 1
1 1458 . 15 1 1 A 123 123 THR N N 123 114.853 111.632 3.221 1
1 2 . 16 1 1 A 9 9 LYS H H 9 8.338 8.477 -0.139 1
1 3 . 16 1 1 A 9 9 LYS C C 9 176.402 175.149 1.253 1
1 4 . 16 1 1 A 9 9 LYS N N 9 122.857 121.112 1.745 1
1 5 . 16 1 1 A 10 10 ASP H H 10 8.335 8.739 -0.404 1
1 6 . 16 1 1 A 10 10 ASP HA H 10 4.562 5.312 -0.750 1
1 9 . 16 1 1 A 10 10 ASP C C 10 176.123 174.133 1.990 1
1 10 . 16 1 1 A 10 10 ASP CA C 10 54.344 52.731 1.613 1
1 11 . 16 1 1 A 10 10 ASP CB C 10 41.227 43.396 -2.169 1
1 12 . 16 1 1 A 10 10 ASP N N 10 121.507 119.615 1.892 1
1 13 . 16 1 1 A 11 11 GLU H H 11 8.231 8.733 -0.502 1
1 14 . 16 1 1 A 11 11 GLU HA H 11 4.222 4.492 -0.270 1
1 19 . 16 1 1 A 11 11 GLU CA C 11 56.356 55.057 1.299 1
1 20 . 16 1 1 A 11 11 GLU CB C 11 30.439 30.851 -0.412 1
1 22 . 16 1 1 A 11 11 GLU N N 11 121.321 124.741 -3.420 1
1 23 . 16 1 1 A 12 12 HIS H H 12 8.431 8.700 -0.269 1
1 24 . 16 1 1 A 12 12 HIS HA H 12 4.618 4.541 0.077 1
1 28 . 16 1 1 A 12 12 HIS C C 12 174.980 174.035 0.945 1
1 29 . 16 1 1 A 12 12 HIS CA C 12 55.952 55.706 0.246 1
1 30 . 16 1 1 A 12 12 HIS CB C 12 30.058 30.083 -0.025 1
1 32 . 16 1 1 A 12 12 HIS N N 12 120.447 124.940 -4.493 1
1 33 . 16 1 1 A 13 13 LYS H H 13 8.191 7.865 0.326 1
1 34 . 16 1 1 A 13 13 LYS HA H 13 4.355 3.952 0.403 1
1 43 . 16 1 1 A 13 13 LYS C C 13 175.327 175.787 -0.460 1
1 44 . 16 1 1 A 13 13 LYS CA C 13 55.620 56.820 -1.200 1
1 45 . 16 1 1 A 13 13 LYS CB C 13 33.729 31.309 2.420 1
1 49 . 16 1 1 A 13 13 LYS N N 13 124.365 115.876 8.489 1
1 50 . 16 1 1 A 14 14 GLN H H 14 8.229 8.387 -0.158 1
1 51 . 16 1 1 A 14 14 GLN HA H 14 4.037 4.073 -0.036 1
1 58 . 16 1 1 A 14 14 GLN C C 14 173.432 175.543 -2.111 1
1 59 . 16 1 1 A 14 14 GLN CA C 14 54.613 56.393 -1.780 1
1 60 . 16 1 1 A 14 14 GLN CB C 14 29.096 28.945 0.151 1
1 62 . 16 1 1 A 14 14 GLN N N 14 123.823 123.566 0.257 1
1 64 . 16 1 1 A 15 15 GLN H H 15 7.896 8.372 -0.476 1
1 65 . 16 1 1 A 15 15 GLN HA H 15 5.459 5.010 0.449 1
1 70 . 16 1 1 A 15 15 GLN C C 15 174.263 174.796 -0.533 1
1 71 . 16 1 1 A 15 15 GLN CA C 15 54.506 55.389 -0.883 1
1 72 . 16 1 1 A 15 15 GLN CB C 15 31.418 31.666 -0.248 1
1 74 . 16 1 1 A 15 15 GLN N N 15 121.452 122.199 -0.747 1
1 75 . 16 1 1 A 16 16 GLY H H 16 8.795 8.459 0.336 1
1 76 . 16 1 1 A 16 16 GLY HA2 H 16 4.056 4.094 -0.038 1
1 77 . 16 1 1 A 16 16 GLY HA3 H 16 4.801 4.401 0.400 1
1 78 . 16 1 1 A 16 16 GLY C C 16 171.456 171.241 0.215 1
1 79 . 16 1 1 A 16 16 GLY CA C 16 44.773 45.929 -1.156 1
1 80 . 16 1 1 A 16 16 GLY N N 16 107.937 111.235 -3.298 1
1 81 . 16 1 1 A 17 17 GLU H H 17 8.718 8.449 0.269 1
1 82 . 16 1 1 A 17 17 GLU HA H 17 5.220 5.065 0.155 1
1 87 . 16 1 1 A 17 17 GLU C C 17 176.562 175.070 1.492 1
1 88 . 16 1 1 A 17 17 GLU CA C 17 55.880 54.444 1.436 1
1 89 . 16 1 1 A 17 17 GLU CB C 17 30.995 33.209 -2.214 1
1 91 . 16 1 1 A 17 17 GLU N N 17 119.686 121.822 -2.136 1
1 92 . 16 1 1 A 18 18 LEU H H 18 8.806 8.558 0.248 1
1 93 . 16 1 1 A 18 18 LEU HA H 18 4.652 4.634 0.018 1
1 103 . 16 1 1 A 18 18 LEU C C 18 176.851 174.573 2.278 1
1 104 . 16 1 1 A 18 18 LEU CA C 18 53.786 53.092 0.694 1
1 105 . 16 1 1 A 18 18 LEU CB C 18 47.961 46.516 1.445 1
1 109 . 16 1 1 A 18 18 LEU N N 18 122.158 124.242 -2.084 1
1 110 . 16 1 1 A 19 19 TYR H H 19 8.833 8.077 0.756 1
1 111 . 16 1 1 A 19 19 TYR HA H 19 5.837 5.608 0.229 1
1 118 . 16 1 1 A 19 19 TYR C C 19 176.038 175.460 0.578 1
1 119 . 16 1 1 A 19 19 TYR CA C 19 56.750 57.041 -0.291 1
1 120 . 16 1 1 A 19 19 TYR CB C 19 40.531 41.794 -1.263 1
1 125 . 16 1 1 A 19 19 TYR N N 19 117.278 120.940 -3.662 1
1 126 . 16 1 1 A 20 20 MET H H 20 9.743 9.255 0.488 1
1 127 . 16 1 1 A 20 20 MET HA H 20 5.207 5.112 0.095 1
1 135 . 16 1 1 A 20 20 MET C C 20 175.349 174.975 0.374 1
1 136 . 16 1 1 A 20 20 MET CA C 20 54.611 54.467 0.144 1
1 137 . 16 1 1 A 20 20 MET CB C 20 37.352 36.481 0.871 1
1 140 . 16 1 1 A 20 20 MET N N 20 120.128 120.530 -0.402 1
1 141 . 16 1 1 A 21 21 TRP H H 21 8.142 8.243 -0.101 1
1 142 . 16 1 1 A 21 21 TRP HA H 21 4.084 3.623 0.461 1
1 150 . 16 1 1 A 21 21 TRP C C 21 174.752 174.470 0.282 1
1 151 . 16 1 1 A 21 21 TRP CA C 21 56.246 57.946 -1.700 1
1 152 . 16 1 1 A 21 21 TRP CB C 21 29.682 29.644 0.038 1
1 157 . 16 1 1 A 21 21 TRP N N 21 126.799 125.545 1.254 1
1 159 . 16 1 1 A 22 22 ASP H H 22 8.034 7.768 0.266 1
1 160 . 16 1 1 A 22 22 ASP HA H 22 4.417 4.563 -0.146 1
1 163 . 16 1 1 A 22 22 ASP C C 22 175.814 175.971 -0.157 1
1 164 . 16 1 1 A 22 22 ASP CA C 22 52.020 52.558 -0.538 1
1 165 . 16 1 1 A 22 22 ASP CB C 22 41.748 40.911 0.837 1
1 166 . 16 1 1 A 22 22 ASP N N 22 129.313 127.065 2.248 1
1 167 . 16 1 1 A 23 23 SER H H 23 8.331 8.333 -0.002 1
1 168 . 16 1 1 A 23 23 SER HA H 23 3.719 3.856 -0.137 1
1 171 . 16 1 1 A 23 23 SER C C 23 175.145 176.224 -1.079 1
1 172 . 16 1 1 A 23 23 SER CA C 23 59.732 60.397 -0.665 1
1 173 . 16 1 1 A 23 23 SER CB C 23 63.304 62.757 0.547 1
1 174 . 16 1 1 A 23 23 SER N N 23 119.796 118.289 1.507 1
1 175 . 16 1 1 A 24 24 ILE H H 24 8.044 7.509 0.535 1
1 176 . 16 1 1 A 24 24 ILE HA H 24 3.849 3.649 0.200 1
1 186 . 16 1 1 A 24 24 ILE C C 24 177.615 176.953 0.662 1
1 187 . 16 1 1 A 24 24 ILE CA C 24 63.257 65.008 -1.751 1
1 188 . 16 1 1 A 24 24 ILE CB C 24 36.400 38.351 -1.951 1
1 192 . 16 1 1 A 24 24 ILE N N 24 124.085 121.991 2.094 1
1 193 . 16 1 1 A 25 25 ASP H H 25 7.641 7.716 -0.075 1
1 194 . 16 1 1 A 25 25 ASP HA H 25 4.492 4.655 -0.163 1
1 197 . 16 1 1 A 25 25 ASP C C 25 175.486 175.072 0.414 1
1 198 . 16 1 1 A 25 25 ASP CA C 25 54.313 53.313 1.000 1
1 199 . 16 1 1 A 25 25 ASP CB C 25 40.789 41.667 -0.878 1
1 200 . 16 1 1 A 25 25 ASP N N 25 118.371 118.161 0.210 1
1 201 . 16 1 1 A 26 26 GLN H H 26 7.340 7.486 -0.146 1
1 202 . 16 1 1 A 26 26 GLN HA H 26 2.828 3.443 -0.615 1
1 209 . 16 1 1 A 26 26 GLN C C 26 173.882 174.579 -0.697 1
1 210 . 16 1 1 A 26 26 GLN CA C 26 55.956 56.600 -0.644 1
1 211 . 16 1 1 A 26 26 GLN CB C 26 25.070 26.689 -1.619 1
1 213 . 16 1 1 A 26 26 GLN N N 26 116.358 116.038 0.320 1
1 215 . 16 1 1 A 27 27 LYS H H 27 6.283 6.603 -0.320 1
1 216 . 16 1 1 A 27 27 LYS HA H 27 4.395 4.912 -0.517 1
1 225 . 16 1 1 A 27 27 LYS C C 27 173.510 174.233 -0.723 1
1 226 . 16 1 1 A 27 27 LYS CA C 27 54.164 55.092 -0.928 1
1 227 . 16 1 1 A 27 27 LYS CB C 27 35.825 34.175 1.650 1
1 231 . 16 1 1 A 27 27 LYS N N 27 114.611 113.633 0.978 1
1 232 . 16 1 1 A 28 28 TRP H H 28 8.751 8.835 -0.084 1
1 233 . 16 1 1 A 28 28 TRP HA H 28 5.383 5.647 -0.264 1
1 242 . 16 1 1 A 28 28 TRP C C 28 177.411 176.651 0.760 1
1 243 . 16 1 1 A 28 28 TRP CA C 28 55.957 55.755 0.202 1
1 244 . 16 1 1 A 28 28 TRP CB C 28 30.752 31.127 -0.375 1
1 250 . 16 1 1 A 28 28 TRP N N 28 121.520 119.536 1.984 1
1 252 . 16 1 1 A 29 29 THR H H 29 9.413 8.706 0.707 1
1 253 . 16 1 1 A 29 29 THR HA H 29 4.852 5.305 -0.453 1
1 258 . 16 1 1 A 29 29 THR C C 29 173.520 173.576 -0.056 1
1 259 . 16 1 1 A 29 29 THR CA C 29 60.308 59.877 0.431 1
1 260 . 16 1 1 A 29 29 THR CB C 29 69.736 71.033 -1.297 1
1 262 . 16 1 1 A 29 29 THR N N 29 117.059 114.357 2.702 1
1 263 . 16 1 1 A 30 30 ARG H H 30 9.117 8.506 0.611 1
1 264 . 16 1 1 A 30 30 ARG HA H 30 4.790 4.537 0.253 1
1 272 . 16 1 1 A 30 30 ARG C C 30 174.447 174.949 -0.502 1
1 273 . 16 1 1 A 30 30 ARG CA C 30 55.949 55.108 0.841 1
1 274 . 16 1 1 A 30 30 ARG CB C 30 33.388 31.386 2.002 1
1 277 . 16 1 1 A 30 30 ARG N N 30 126.027 122.059 3.968 1
1 278 . 16 1 1 A 31 31 HIS H H 31 9.011 8.578 0.433 1
1 279 . 16 1 1 A 31 31 HIS HA H 31 4.636 5.064 -0.428 1
1 282 . 16 1 1 A 31 31 HIS C C 31 173.947 173.488 0.459 1
1 283 . 16 1 1 A 31 31 HIS CA C 31 55.185 54.668 0.517 1
1 284 . 16 1 1 A 31 31 HIS CB C 31 33.332 33.834 -0.502 1
1 285 . 16 1 1 A 31 31 HIS N N 31 121.017 124.394 -3.377 1
1 286 . 16 1 1 A 32 32 TYR H H 32 9.361 8.556 0.805 1
1 287 . 16 1 1 A 32 32 TYR HA H 32 4.745 5.133 -0.388 1
1 294 . 16 1 1 A 32 32 TYR C C 32 176.298 174.454 1.844 1
1 295 . 16 1 1 A 32 32 TYR CA C 32 59.316 56.527 2.789 1
1 296 . 16 1 1 A 32 32 TYR CB C 32 39.341 40.237 -0.896 1
1 301 . 16 1 1 A 32 32 TYR N N 32 124.440 123.338 1.102 1
1 302 . 16 1 1 A 33 33 CYS H H 33 8.750 8.514 0.236 1
1 303 . 16 1 1 A 33 33 CYS HA H 33 5.857 5.391 0.466 1
1 306 . 16 1 1 A 33 33 CYS C C 33 172.735 174.069 -1.334 1
1 307 . 16 1 1 A 33 33 CYS CA C 33 57.108 57.693 -0.585 1
1 308 . 16 1 1 A 33 33 CYS CB C 33 32.779 29.962 2.817 1
1 309 . 16 1 1 A 33 33 CYS N N 33 127.462 127.097 0.365 1
1 310 . 16 1 1 A 34 34 ALA H H 34 8.565 8.910 -0.345 1
1 311 . 16 1 1 A 34 34 ALA HA H 34 5.290 5.059 0.231 1
1 315 . 16 1 1 A 34 34 ALA C C 34 176.215 175.833 0.382 1
1 316 . 16 1 1 A 34 34 ALA CA C 34 51.773 52.204 -0.431 1
1 317 . 16 1 1 A 34 34 ALA CB C 34 23.139 21.823 1.316 1
1 318 . 16 1 1 A 34 34 ALA N N 34 121.115 122.600 -1.485 1
1 319 . 16 1 1 A 35 35 ILE H H 35 8.413 9.066 -0.653 1
1 320 . 16 1 1 A 35 35 ILE HA H 35 5.275 5.038 0.237 1
1 330 . 16 1 1 A 35 35 ILE C C 35 175.768 174.927 0.841 1
1 331 . 16 1 1 A 35 35 ILE CA C 35 60.105 60.754 -0.649 1
1 332 . 16 1 1 A 35 35 ILE CB C 35 39.737 37.382 2.355 1
1 336 . 16 1 1 A 35 35 ILE N N 35 120.176 123.744 -3.568 1
1 337 . 16 1 1 A 36 36 ALA H H 36 8.666 8.889 -0.223 1
1 338 . 16 1 1 A 36 36 ALA HA H 36 4.581 4.850 -0.269 1
1 342 . 16 1 1 A 36 36 ALA CA C 36 52.028 50.682 1.346 1
1 343 . 16 1 1 A 36 36 ALA CB C 36 21.365 21.664 -0.299 1
1 344 . 16 1 1 A 36 36 ALA N N 36 129.732 129.232 0.500 1
1 345 . 16 1 1 A 37 37 ASP H H 37 9.379 9.413 -0.034 1
1 346 . 16 1 1 A 37 37 ASP HA H 37 4.228 4.312 -0.084 1
1 349 . 16 1 1 A 37 37 ASP C C 37 174.579 175.322 -0.743 1
1 350 . 16 1 1 A 37 37 ASP CA C 37 55.822 55.615 0.207 1
1 351 . 16 1 1 A 37 37 ASP CB C 37 39.784 39.156 0.628 1
1 352 . 16 1 1 A 37 37 ASP N N 37 124.926 125.626 -0.700 1
1 353 . 16 1 1 A 38 38 ALA H H 38 8.710 8.359 0.351 1
1 354 . 16 1 1 A 38 38 ALA HA H 38 3.911 3.900 0.011 1
1 358 . 16 1 1 A 38 38 ALA C C 38 174.866 176.201 -1.335 1
1 359 . 16 1 1 A 38 38 ALA CA C 38 53.040 53.681 -0.641 1
1 360 . 16 1 1 A 38 38 ALA CB C 38 17.654 18.309 -0.655 1
1 361 . 16 1 1 A 38 38 ALA N N 38 115.547 113.426 2.121 1
1 362 . 16 1 1 A 39 39 LYS H H 39 8.054 7.471 0.583 1
1 363 . 16 1 1 A 39 39 LYS HA H 39 5.247 5.032 0.215 1
1 372 . 16 1 1 A 39 39 LYS C C 39 175.201 174.220 0.981 1
1 373 . 16 1 1 A 39 39 LYS CA C 39 54.583 54.596 -0.013 1
1 374 . 16 1 1 A 39 39 LYS CB C 39 34.824 35.391 -0.567 1
1 378 . 16 1 1 A 39 39 LYS N N 39 117.589 116.964 0.625 1
1 379 . 16 1 1 A 40 40 LEU H H 40 9.090 8.727 0.363 1
1 380 . 16 1 1 A 40 40 LEU HA H 40 5.353 5.161 0.192 1
1 390 . 16 1 1 A 40 40 LEU C C 40 175.382 175.185 0.197 1
1 391 . 16 1 1 A 40 40 LEU CA C 40 53.987 53.615 0.372 1
1 392 . 16 1 1 A 40 40 LEU CB C 40 45.718 44.809 0.909 1
1 396 . 16 1 1 A 40 40 LEU N N 40 126.300 125.582 0.718 1
1 397 . 16 1 1 A 41 41 SER H H 41 9.539 8.818 0.721 1
1 398 . 16 1 1 A 41 41 SER HA H 41 5.493 5.926 -0.433 1
1 401 . 16 1 1 A 41 41 SER C C 41 173.435 173.823 -0.388 1
1 402 . 16 1 1 A 41 41 SER CA C 41 56.816 56.880 -0.064 1
1 403 . 16 1 1 A 41 41 SER CB C 41 65.706 64.945 0.761 1
1 404 . 16 1 1 A 41 41 SER N N 41 123.399 121.716 1.683 1
1 405 . 16 1 1 A 42 42 PHE H H 42 8.344 8.435 -0.091 1
1 406 . 16 1 1 A 42 42 PHE HA H 42 5.888 5.607 0.281 1
1 414 . 16 1 1 A 42 42 PHE C C 42 175.198 175.180 0.018 1
1 415 . 16 1 1 A 42 42 PHE CA C 42 54.335 55.547 -1.212 1
1 416 . 16 1 1 A 42 42 PHE CB C 42 43.360 41.188 2.172 1
1 422 . 16 1 1 A 42 42 PHE N N 42 117.935 120.144 -2.209 1
1 423 . 16 1 1 A 43 43 SER H H 43 8.843 8.737 0.106 1
1 424 . 16 1 1 A 43 43 SER HA H 43 4.918 4.759 0.159 1
1 427 . 16 1 1 A 43 43 SER C C 43 175.040 174.266 0.774 1
1 428 . 16 1 1 A 43 43 SER CA C 43 58.215 57.267 0.948 1
1 429 . 16 1 1 A 43 43 SER CB C 43 66.789 65.351 1.438 1
1 430 . 16 1 1 A 43 43 SER N N 43 117.280 116.574 0.706 1
1 431 . 16 1 1 A 44 44 ASP H H 44 8.818 8.333 0.485 1
1 432 . 16 1 1 A 44 44 ASP HA H 44 4.909 4.813 0.096 1
1 435 . 16 1 1 A 44 44 ASP C C 44 175.955 175.569 0.386 1
1 436 . 16 1 1 A 44 44 ASP CA C 44 54.815 53.856 0.959 1
1 437 . 16 1 1 A 44 44 ASP CB C 44 41.729 41.615 0.114 1
1 438 . 16 1 1 A 44 44 ASP N N 44 120.846 123.276 -2.430 1
1 439 . 16 1 1 A 45 45 ASP H H 45 8.726 8.656 0.070 1
1 440 . 16 1 1 A 45 45 ASP HA H 45 4.273 4.340 -0.067 1
1 443 . 16 1 1 A 45 45 ASP C C 45 177.889 177.577 0.312 1
1 444 . 16 1 1 A 45 45 ASP CA C 45 54.145 55.144 -0.999 1
1 445 . 16 1 1 A 45 45 ASP CB C 45 41.329 40.956 0.373 1
1 446 . 16 1 1 A 45 45 ASP N N 45 120.848 121.899 -1.051 1
1 447 . 16 1 1 A 46 46 ILE H H 46 8.369 8.498 -0.129 1
1 448 . 16 1 1 A 46 46 ILE HA H 46 4.079 4.265 -0.186 1
1 458 . 16 1 1 A 46 46 ILE C C 46 177.339 176.792 0.547 1
1 459 . 16 1 1 A 46 46 ILE CA C 46 62.357 61.952 0.405 1
1 460 . 16 1 1 A 46 46 ILE CB C 46 38.708 38.817 -0.109 1
1 464 . 16 1 1 A 46 46 ILE N N 46 123.832 120.350 3.482 1
1 465 . 16 1 1 A 47 47 GLU H H 47 8.577 8.128 0.449 1
1 466 . 16 1 1 A 47 47 GLU HA H 47 4.258 4.619 -0.361 1
1 471 . 16 1 1 A 47 47 GLU C C 47 177.164 177.394 -0.230 1
1 472 . 16 1 1 A 47 47 GLU CA C 47 57.249 56.718 0.531 1
1 473 . 16 1 1 A 47 47 GLU CB C 47 29.900 32.058 -2.158 1
1 475 . 16 1 1 A 47 47 GLU N N 47 122.294 119.920 2.374 1
1 476 . 16 1 1 A 48 48 GLN H H 48 7.894 7.836 0.058 1
1 477 . 16 1 1 A 48 48 GLN HA H 48 4.365 4.428 -0.063 1
1 484 . 16 1 1 A 48 48 GLN C C 48 176.278 175.314 0.964 1
1 485 . 16 1 1 A 48 48 GLN CA C 48 55.830 55.776 0.054 1
1 486 . 16 1 1 A 48 48 GLN CB C 48 29.383 28.967 0.416 1
1 488 . 16 1 1 A 48 48 GLN N N 48 118.968 117.959 1.009 1
1 490 . 16 1 1 A 49 49 THR H H 49 8.048 7.542 0.506 1
1 491 . 16 1 1 A 49 49 THR HA H 49 4.331 4.110 0.221 1
1 496 . 16 1 1 A 49 49 THR C C 49 174.784 174.570 0.214 1
1 497 . 16 1 1 A 49 49 THR CA C 49 62.135 62.438 -0.303 1
1 498 . 16 1 1 A 49 49 THR CB C 49 69.736 69.677 0.059 1
1 500 . 16 1 1 A 49 49 THR N N 49 114.601 113.650 0.951 1
1 501 . 16 1 1 A 50 50 MET H H 50 8.409 8.419 -0.010 1
1 502 . 16 1 1 A 50 50 MET HA H 50 4.510 4.807 -0.297 1
1 510 . 16 1 1 A 50 50 MET C C 50 176.451 175.788 0.663 1
1 511 . 16 1 1 A 50 50 MET CA C 50 55.601 54.460 1.141 1
1 512 . 16 1 1 A 50 50 MET CB C 50 32.850 33.581 -0.731 1
1 515 . 16 1 1 A 50 50 MET N N 50 122.660 120.727 1.933 1
1 516 . 16 1 1 A 51 51 GLU H H 51 8.418 7.741 0.677 1
1 517 . 16 1 1 A 51 51 GLU HA H 51 4.272 4.358 -0.086 1
1 522 . 16 1 1 A 51 51 GLU C C 51 176.777 177.478 -0.701 1
1 523 . 16 1 1 A 51 51 GLU CA C 51 56.680 56.221 0.459 1
1 524 . 16 1 1 A 51 51 GLU CB C 51 30.262 30.694 -0.432 1
1 526 . 16 1 1 A 51 51 GLU N N 51 121.650 119.753 1.897 1
1 527 . 16 1 1 A 52 52 GLU H H 52 8.325 8.908 -0.583 1
1 528 . 16 1 1 A 52 52 GLU HA H 52 4.174 4.159 0.015 1
1 533 . 16 1 1 A 52 52 GLU C C 52 176.178 177.262 -1.084 1
1 534 . 16 1 1 A 52 52 GLU N N 52 120.869 122.935 -2.066 1
1 535 . 16 1 1 A 53 53 ASP H H 53 8.320 7.954 0.366 1
1 536 . 16 1 1 A 53 53 ASP HA H 53 4.527 4.823 -0.296 1
1 539 . 16 1 1 A 53 53 ASP C C 53 175.650 175.749 -0.099 1
1 540 . 16 1 1 A 53 53 ASP CA C 53 54.322 53.562 0.760 1
1 541 . 16 1 1 A 53 53 ASP CB C 53 41.040 40.862 0.178 1
1 542 . 16 1 1 A 53 53 ASP N N 53 119.656 116.804 2.852 1
1 543 . 16 1 1 A 54 54 ASN H H 54 8.134 8.159 -0.025 1
1 544 . 16 1 1 A 54 54 ASN HA H 54 4.970 4.448 0.522 1
1 549 . 16 1 1 A 54 54 ASN CA C 54 51.120 53.907 -2.787 1
1 550 . 16 1 1 A 54 54 ASN CB C 54 39.125 36.107 3.018 1
1 551 . 16 1 1 A 54 54 ASN N N 54 118.436 116.210 2.226 1
1 553 . 16 1 1 A 55 55 PRO HA H 55 4.394 4.332 0.062 1
1 560 . 16 1 1 A 55 55 PRO C C 55 177.514 176.725 0.789 1
1 561 . 16 1 1 A 55 55 PRO CA C 55 63.910 65.335 -1.425 1
1 562 . 16 1 1 A 55 55 PRO CB C 55 32.077 31.635 0.442 1
1 565 . 16 1 1 A 56 56 LEU H H 56 8.181 7.712 0.469 1
1 566 . 16 1 1 A 56 56 LEU HA H 56 4.268 4.621 -0.353 1
1 576 . 16 1 1 A 56 56 LEU C C 56 178.176 176.653 1.523 1
1 577 . 16 1 1 A 56 56 LEU CA C 56 55.542 54.073 1.469 1
1 578 . 16 1 1 A 56 56 LEU CB C 56 41.783 45.275 -3.492 1
1 582 . 16 1 1 A 56 56 LEU N N 56 120.122 117.977 2.145 1
1 583 . 16 1 1 A 57 57 GLY H H 57 8.071 8.761 -0.690 1
1 584 . 16 1 1 A 57 57 GLY HA2 H 57 3.946 3.859 0.087 1
1 585 . 16 1 1 A 57 57 GLY HA3 H 57 3.946 3.862 0.084 1
1 586 . 16 1 1 A 57 57 GLY C C 57 174.306 174.175 0.131 1
1 587 . 16 1 1 A 57 57 GLY CA C 57 45.460 46.295 -0.835 1
1 588 . 16 1 1 A 57 57 GLY N N 57 108.437 114.644 -6.207 1
1 589 . 16 1 1 A 58 58 SER H H 58 8.170 8.017 0.153 1
1 590 . 16 1 1 A 58 58 SER HA H 58 4.460 4.421 0.039 1
1 593 . 16 1 1 A 58 58 SER C C 58 174.785 172.688 2.097 1
1 594 . 16 1 1 A 58 58 SER CA C 58 58.319 58.778 -0.459 1
1 595 . 16 1 1 A 58 58 SER CB C 58 63.792 63.085 0.707 1
1 596 . 16 1 1 A 58 58 SER N N 58 115.478 113.410 2.068 1
1 597 . 16 1 1 A 59 59 LEU H H 59 8.278 8.335 -0.057 1
1 598 . 16 1 1 A 59 59 LEU HA H 59 4.384 4.857 -0.473 1
1 608 . 16 1 1 A 59 59 LEU CA C 59 55.219 53.502 1.717 1
1 609 . 16 1 1 A 59 59 LEU CB C 59 42.377 45.285 -2.908 1
1 613 . 16 1 1 A 59 59 LEU N N 59 124.033 121.682 2.351 1
1 614 . 16 1 1 A 60 60 CYS H H 60 8.331 8.973 -0.642 1
1 615 . 16 1 1 A 60 60 CYS HA H 60 4.398 4.016 0.382 1
1 618 . 16 1 1 A 60 60 CYS C C 60 174.142 174.975 -0.833 1
1 619 . 16 1 1 A 60 60 CYS CA C 60 58.505 59.806 -1.301 1
1 620 . 16 1 1 A 60 60 CYS CB C 60 27.338 26.023 1.315 1
1 621 . 16 1 1 A 60 60 CYS N N 60 120.390 123.410 -3.020 1
1 622 . 16 1 1 A 61 61 ARG H H 61 8.632 8.107 0.525 1
1 623 . 16 1 1 A 61 61 ARG HA H 61 4.337 4.139 0.198 1
1 630 . 16 1 1 A 61 61 ARG C C 61 176.096 175.807 0.289 1
1 631 . 16 1 1 A 61 61 ARG CA C 61 56.003 57.359 -1.356 1
1 632 . 16 1 1 A 61 61 ARG CB C 61 30.757 31.529 -0.772 1
1 635 . 16 1 1 A 61 61 ARG N N 61 125.869 126.713 -0.844 1
1 636 . 16 1 1 A 62 62 GLY H H 62 7.263 6.344 0.919 1
1 637 . 16 1 1 A 62 62 GLY HA2 H 62 3.008 3.483 -0.475 1
1 638 . 16 1 1 A 62 62 GLY HA3 H 62 3.875 3.818 0.057 1
1 639 . 16 1 1 A 62 62 GLY C C 62 170.609 170.568 0.041 1
1 640 . 16 1 1 A 62 62 GLY CA C 62 44.808 44.708 0.100 1
1 641 . 16 1 1 A 62 62 GLY N N 62 107.908 105.210 2.698 1
1 642 . 16 1 1 A 63 63 ILE H H 63 7.895 8.336 -0.441 1
1 643 . 16 1 1 A 63 63 ILE HA H 63 4.843 5.168 -0.325 1
1 653 . 16 1 1 A 63 63 ILE C C 63 175.450 175.021 0.429 1
1 654 . 16 1 1 A 63 63 ILE CA C 63 60.322 59.971 0.351 1
1 655 . 16 1 1 A 63 63 ILE CB C 63 41.957 41.898 0.059 1
1 659 . 16 1 1 A 63 63 ILE N N 63 117.987 121.294 -3.307 1
1 660 . 16 1 1 A 64 64 LEU H H 64 9.429 9.241 0.188 1
1 661 . 16 1 1 A 64 64 LEU HA H 64 4.916 4.743 0.173 1
1 671 . 16 1 1 A 64 64 LEU C C 64 176.136 176.461 -0.325 1
1 672 . 16 1 1 A 64 64 LEU CA C 64 53.059 53.942 -0.883 1
1 673 . 16 1 1 A 64 64 LEU CB C 64 43.788 41.946 1.842 1
1 677 . 16 1 1 A 64 64 LEU N N 64 127.063 127.137 -0.074 1
1 678 . 16 1 1 A 65 65 ASP H H 65 9.241 9.145 0.096 1
1 679 . 16 1 1 A 65 65 ASP HA H 65 4.818 4.345 0.473 1
1 682 . 16 1 1 A 65 65 ASP C C 65 177.925 176.571 1.354 1
1 683 . 16 1 1 A 65 65 ASP CA C 65 53.628 57.213 -3.585 1
1 684 . 16 1 1 A 65 65 ASP CB C 65 40.307 40.531 -0.224 1
1 685 . 16 1 1 A 65 65 ASP N N 65 122.728 125.886 -3.158 1
1 686 . 16 1 1 A 66 66 LEU H H 66 8.766 8.044 0.722 1
1 687 . 16 1 1 A 66 66 LEU HA H 66 4.212 4.138 0.074 1
1 697 . 16 1 1 A 66 66 LEU C C 66 177.167 176.571 0.596 1
1 698 . 16 1 1 A 66 66 LEU CA C 66 57.854 56.560 1.294 1
1 699 . 16 1 1 A 66 66 LEU CB C 66 41.006 40.226 0.780 1
1 703 . 16 1 1 A 66 66 LEU N N 66 126.997 116.625 10.372 1
1 704 . 16 1 1 A 67 67 ASN H H 67 8.585 8.330 0.255 1
1 705 . 16 1 1 A 67 67 ASN HA H 67 4.721 4.824 -0.103 1
1 710 . 16 1 1 A 67 67 ASN C C 67 176.583 175.734 0.849 1
1 711 . 16 1 1 A 67 67 ASN CA C 67 55.648 54.066 1.582 1
1 712 . 16 1 1 A 67 67 ASN CB C 67 38.464 39.655 -1.191 1
1 713 . 16 1 1 A 67 67 ASN N N 67 113.883 116.139 -2.256 1
1 715 . 16 1 1 A 68 68 THR H H 68 8.007 8.180 -0.173 1
1 716 . 16 1 1 A 68 68 THR HA H 68 4.513 4.614 -0.101 1
1 721 . 16 1 1 A 68 68 THR C C 68 172.870 173.577 -0.707 1
1 722 . 16 1 1 A 68 68 THR CA C 68 61.441 60.107 1.334 1
1 723 . 16 1 1 A 68 68 THR CB C 68 69.432 68.788 0.644 1
1 725 . 16 1 1 A 68 68 THR N N 68 108.340 105.332 3.008 1
1 726 . 16 1 1 A 69 69 TYR H H 69 7.560 8.416 -0.856 1
1 727 . 16 1 1 A 69 69 TYR HA H 69 5.199 5.497 -0.298 1
1 734 . 16 1 1 A 69 69 TYR C C 69 174.283 174.553 -0.270 1
1 735 . 16 1 1 A 69 69 TYR CA C 69 57.848 56.362 1.486 1
1 736 . 16 1 1 A 69 69 TYR CB C 69 44.393 43.724 0.669 1
1 741 . 16 1 1 A 69 69 TYR N N 69 119.888 122.266 -2.378 1
1 742 . 16 1 1 A 70 70 ASN H H 70 9.116 9.061 0.055 1
1 743 . 16 1 1 A 70 70 ASN HA H 70 5.162 5.459 -0.297 1
1 748 . 16 1 1 A 70 70 ASN C C 70 174.340 174.216 0.124 1
1 749 . 16 1 1 A 70 70 ASN CA C 70 52.364 52.596 -0.232 1
1 750 . 16 1 1 A 70 70 ASN CB C 70 42.062 42.806 -0.744 1
1 751 . 16 1 1 A 70 70 ASN N N 70 116.071 117.674 -1.603 1
1 753 . 16 1 1 A 71 71 VAL H H 71 8.564 9.028 -0.464 1
1 754 . 16 1 1 A 71 71 VAL HA H 71 5.766 4.898 0.868 1
1 762 . 16 1 1 A 71 71 VAL C C 71 173.261 175.588 -2.327 1
1 763 . 16 1 1 A 71 71 VAL CA C 71 59.076 61.953 -2.877 1
1 764 . 16 1 1 A 71 71 VAL CB C 71 34.982 33.067 1.915 1
1 767 . 16 1 1 A 71 71 VAL N N 71 120.784 124.544 -3.760 1
1 768 . 16 1 1 A 72 72 VAL H H 72 9.308 8.621 0.687 1
1 769 . 16 1 1 A 72 72 VAL HA H 72 4.806 4.635 0.171 1
1 777 . 16 1 1 A 72 72 VAL C C 72 175.047 173.880 1.167 1
1 778 . 16 1 1 A 72 72 VAL CA C 72 60.330 59.774 0.556 1
1 779 . 16 1 1 A 72 72 VAL CB C 72 36.467 34.905 1.562 1
1 782 . 16 1 1 A 72 72 VAL N N 72 125.272 120.903 4.369 1
1 783 . 16 1 1 A 73 73 LYS H H 73 8.793 8.260 0.533 1
1 784 . 16 1 1 A 73 73 LYS HA H 73 4.652 3.091 1.561 1
1 793 . 16 1 1 A 73 73 LYS C C 73 176.241 175.011 1.230 1
1 794 . 16 1 1 A 73 73 LYS CA C 73 55.799 55.517 0.282 1
1 795 . 16 1 1 A 73 73 LYS CB C 73 33.452 32.267 1.185 1
1 799 . 16 1 1 A 73 73 LYS N N 73 124.197 126.549 -2.352 1
1 800 . 16 1 1 A 74 74 ALA H H 74 8.172 8.412 -0.240 1
1 801 . 16 1 1 A 74 74 ALA HA H 74 4.849 4.270 0.579 1
1 805 . 16 1 1 A 74 74 ALA CA C 74 49.540 50.175 -0.635 1
1 806 . 16 1 1 A 74 74 ALA CB C 74 17.685 19.201 -1.516 1
1 807 . 16 1 1 A 74 74 ALA N N 74 128.026 130.029 -2.003 1
1 808 . 16 1 1 A 75 75 PRO HA H 75 4.351 4.335 0.016 1
1 815 . 16 1 1 A 75 75 PRO CA C 75 65.256 65.153 0.103 1
1 816 . 16 1 1 A 75 75 PRO CB C 75 32.158 31.460 0.698 1
1 819 . 16 1 1 A 76 76 GLN H H 76 8.660 7.904 0.756 1
1 820 . 16 1 1 A 76 76 GLN HA H 76 4.561 4.197 0.364 1
1 825 . 16 1 1 A 76 76 GLN C C 76 176.426 176.783 -0.357 1
1 826 . 16 1 1 A 76 76 GLN CA C 76 55.168 56.551 -1.383 1
1 827 . 16 1 1 A 76 76 GLN CB C 76 28.925 28.790 0.135 1
1 829 . 16 1 1 A 76 76 GLN N N 76 116.110 117.455 -1.345 1
1 830 . 16 1 1 A 77 77 GLY H H 77 7.527 7.746 -0.219 1
1 831 . 16 1 1 A 77 77 GLY HA2 H 77 3.382 3.928 -0.546 1
1 832 . 16 1 1 A 77 77 GLY HA3 H 77 4.505 3.950 0.555 1
1 833 . 16 1 1 A 77 77 GLY C C 77 172.487 172.908 -0.421 1
1 834 . 16 1 1 A 77 77 GLY CA C 77 44.852 44.722 0.130 1
1 835 . 16 1 1 A 77 77 GLY N N 77 107.608 107.084 0.524 1
1 836 . 16 1 1 A 78 78 LYS H H 78 8.123 8.390 -0.267 1
1 837 . 16 1 1 A 78 78 LYS HA H 78 4.191 4.729 -0.538 1
1 846 . 16 1 1 A 78 78 LYS C C 78 175.300 176.594 -1.294 1
1 847 . 16 1 1 A 78 78 LYS CA C 78 56.737 54.262 2.475 1
1 848 . 16 1 1 A 78 78 LYS CB C 78 35.900 36.183 -0.283 1
1 852 . 16 1 1 A 78 78 LYS N N 78 117.756 118.425 -0.669 1
1 853 . 16 1 1 A 79 79 ASN H H 79 9.105 8.867 0.238 1
1 854 . 16 1 1 A 79 79 ASN HA H 79 4.099 4.198 -0.099 1
1 859 . 16 1 1 A 79 79 ASN C C 79 175.098 174.916 0.182 1
1 860 . 16 1 1 A 79 79 ASN CA C 79 54.563 55.413 -0.850 1
1 861 . 16 1 1 A 79 79 ASN CB C 79 37.353 36.951 0.402 1
1 862 . 16 1 1 A 79 79 ASN N N 79 120.643 116.054 4.589 1
1 864 . 16 1 1 A 80 80 GLN H H 80 8.608 8.450 0.158 1
1 865 . 16 1 1 A 80 80 GLN HA H 80 3.648 4.443 -0.795 1
1 870 . 16 1 1 A 80 80 GLN C C 80 175.327 174.558 0.769 1
1 871 . 16 1 1 A 80 80 GLN CA C 80 57.975 55.479 2.496 1
1 872 . 16 1 1 A 80 80 GLN CB C 80 26.506 30.284 -3.778 1
1 874 . 16 1 1 A 80 80 GLN N N 80 108.385 120.071 -11.686 1
1 875 . 16 1 1 A 81 81 LYS H H 81 7.608 7.743 -0.135 1
1 876 . 16 1 1 A 81 81 LYS HA H 81 4.325 4.465 -0.140 1
1 885 . 16 1 1 A 81 81 LYS C C 81 176.242 175.984 0.258 1
1 886 . 16 1 1 A 81 81 LYS CA C 81 54.186 54.490 -0.304 1
1 887 . 16 1 1 A 81 81 LYS CB C 81 33.385 33.704 -0.319 1
1 891 . 16 1 1 A 81 81 LYS N N 81 119.675 120.112 -0.437 1
1 892 . 16 1 1 A 82 82 SER H H 82 7.692 8.370 -0.678 1
1 893 . 16 1 1 A 82 82 SER HA H 82 3.850 4.394 -0.544 1
1 896 . 16 1 1 A 82 82 SER C C 82 174.045 173.697 0.348 1
1 897 . 16 1 1 A 82 82 SER CA C 82 60.984 60.266 0.718 1
1 898 . 16 1 1 A 82 82 SER CB C 82 62.962 63.534 -0.572 1
1 899 . 16 1 1 A 82 82 SER N N 82 117.008 114.726 2.282 1
1 900 . 16 1 1 A 83 83 PHE H H 83 8.545 7.553 0.992 1
1 901 . 16 1 1 A 83 83 PHE HA H 83 4.921 4.903 0.018 1
1 908 . 16 1 1 A 83 83 PHE C C 83 172.686 175.198 -2.512 1
1 909 . 16 1 1 A 83 83 PHE CA C 83 55.383 56.928 -1.545 1
1 910 . 16 1 1 A 83 83 PHE CB C 83 37.774 39.024 -1.250 1
1 915 . 16 1 1 A 83 83 PHE N N 83 124.073 116.790 7.283 1
1 916 . 16 1 1 A 84 84 VAL H H 84 8.420 8.808 -0.388 1
1 917 . 16 1 1 A 84 84 VAL HA H 84 5.348 5.187 0.161 1
1 925 . 16 1 1 A 84 84 VAL C C 84 175.816 174.742 1.074 1
1 926 . 16 1 1 A 84 84 VAL CA C 84 60.177 60.433 -0.256 1
1 927 . 16 1 1 A 84 84 VAL CB C 84 37.646 35.924 1.722 1
1 930 . 16 1 1 A 84 84 VAL N N 84 123.085 122.941 0.144 1
1 931 . 16 1 1 A 85 85 PHE H H 85 8.812 9.030 -0.218 1
1 932 . 16 1 1 A 85 85 PHE HA H 85 5.510 5.260 0.250 1
1 940 . 16 1 1 A 85 85 PHE C C 85 171.610 174.668 -3.058 1
1 941 . 16 1 1 A 85 85 PHE CA C 85 55.360 55.841 -0.481 1
1 942 . 16 1 1 A 85 85 PHE CB C 85 41.424 41.569 -0.145 1
1 948 . 16 1 1 A 85 85 PHE N N 85 122.454 123.699 -1.245 1
1 949 . 16 1 1 A 86 86 ILE H H 86 9.406 9.157 0.249 1
1 950 . 16 1 1 A 86 86 ILE HA H 86 4.844 5.305 -0.461 1
1 960 . 16 1 1 A 86 86 ILE C C 86 175.559 174.811 0.748 1
1 961 . 16 1 1 A 86 86 ILE CA C 86 60.323 60.071 0.252 1
1 962 . 16 1 1 A 86 86 ILE CB C 86 42.374 40.211 2.163 1
1 966 . 16 1 1 A 86 86 ILE N N 86 120.483 123.356 -2.873 1
1 967 . 16 1 1 A 87 87 LEU H H 87 9.450 9.267 0.183 1
1 968 . 16 1 1 A 87 87 LEU HA H 87 5.238 5.476 -0.238 1
1 978 . 16 1 1 A 87 87 LEU C C 87 175.145 175.768 -0.623 1
1 979 . 16 1 1 A 87 87 LEU CA C 87 52.778 53.427 -0.649 1
1 980 . 16 1 1 A 87 87 LEU CB C 87 40.657 43.645 -2.988 1
1 984 . 16 1 1 A 87 87 LEU N N 87 126.149 127.567 -1.418 1
1 985 . 16 1 1 A 88 88 GLU H H 88 9.120 9.092 0.028 1
1 986 . 16 1 1 A 88 88 GLU HA H 88 4.986 4.950 0.036 1
1 991 . 16 1 1 A 88 88 GLU CA C 88 52.677 52.810 -0.133 1
1 992 . 16 1 1 A 88 88 GLU CB C 88 31.511 30.638 0.873 1
1 994 . 16 1 1 A 88 88 GLU N N 88 126.028 124.266 1.762 1
1 995 . 16 1 1 A 89 89 PRO HA H 89 4.239 3.817 0.422 1
1 1002 . 16 1 1 A 89 89 PRO C C 89 177.398 176.944 0.454 1
1 1003 . 16 1 1 A 89 89 PRO CA C 89 63.214 62.609 0.605 1
1 1004 . 16 1 1 A 89 89 PRO CB C 89 32.855 32.260 0.595 1
1 1007 . 16 1 1 A 90 90 LYS H H 90 8.166 8.730 -0.564 1
1 1008 . 16 1 1 A 90 90 LYS HA H 90 4.041 4.483 -0.442 1
1 1017 . 16 1 1 A 90 90 LYS C C 90 177.384 177.109 0.275 1
1 1018 . 16 1 1 A 90 90 LYS CA C 90 58.404 56.112 2.292 1
1 1019 . 16 1 1 A 90 90 LYS CB C 90 33.133 32.820 0.313 1
1 1023 . 16 1 1 A 90 90 LYS N N 90 121.350 121.045 0.305 1
1 1024 . 16 1 1 A 91 91 GLN H H 91 8.252 7.915 0.337 1
1 1025 . 16 1 1 A 91 91 GLN HA H 91 4.423 4.104 0.319 1
1 1032 . 16 1 1 A 91 91 GLN C C 91 175.039 176.520 -1.481 1
1 1033 . 16 1 1 A 91 91 GLN CA C 91 54.303 58.194 -3.891 1
1 1034 . 16 1 1 A 91 91 GLN CB C 91 29.208 29.201 0.007 1
1 1036 . 16 1 1 A 91 91 GLN N N 91 118.759 119.010 -0.251 1
1 1038 . 16 1 1 A 92 92 GLN H H 92 8.460 7.689 0.771 1
1 1039 . 16 1 1 A 92 92 GLN HA H 92 4.057 4.415 -0.358 1
1 1044 . 16 1 1 A 92 92 GLN C C 92 177.080 175.640 1.440 1
1 1045 . 16 1 1 A 92 92 GLN CA C 92 57.446 55.795 1.651 1
1 1046 . 16 1 1 A 92 92 GLN CB C 92 28.472 28.999 -0.527 1
1 1048 . 16 1 1 A 92 92 GLN N N 92 124.928 113.836 11.092 1
1 1049 . 16 1 1 A 93 93 GLY H H 93 8.870 7.865 1.005 1
1 1050 . 16 1 1 A 93 93 GLY HA2 H 93 3.639 4.016 -0.377 1
1 1051 . 16 1 1 A 93 93 GLY HA3 H 93 4.338 4.020 0.318 1
1 1052 . 16 1 1 A 93 93 GLY C C 93 174.298 174.057 0.241 1
1 1053 . 16 1 1 A 93 93 GLY CA C 93 45.336 45.305 0.031 1
1 1054 . 16 1 1 A 93 93 GLY N N 93 113.393 108.543 4.850 1
1 1055 . 16 1 1 A 94 94 ASP H H 94 7.546 7.451 0.095 1
1 1056 . 16 1 1 A 94 94 ASP HA H 94 5.056 4.725 0.331 1
1 1059 . 16 1 1 A 94 94 ASP CA C 94 52.662 52.847 -0.185 1
1 1060 . 16 1 1 A 94 94 ASP CB C 94 40.179 39.958 0.221 1
1 1061 . 16 1 1 A 94 94 ASP N N 94 123.111 121.176 1.935 1
1 1062 . 16 1 1 A 95 95 PRO HA H 95 4.933 4.725 0.208 1
1 1069 . 16 1 1 A 95 95 PRO CA C 95 61.243 61.447 -0.204 1
1 1070 . 16 1 1 A 95 95 PRO CB C 95 31.234 31.910 -0.676 1
1 1073 . 16 1 1 A 96 96 PRO HA H 96 5.190 5.034 0.156 1
1 1080 . 16 1 1 A 96 96 PRO C C 96 176.664 175.476 1.188 1
1 1081 . 16 1 1 A 96 96 PRO CA C 96 62.399 62.458 -0.059 1
1 1082 . 16 1 1 A 96 96 PRO CB C 96 32.850 32.980 -0.130 1
1 1085 . 16 1 1 A 97 97 VAL H H 97 8.448 8.279 0.169 1
1 1086 . 16 1 1 A 97 97 VAL HA H 97 4.145 4.708 -0.563 1
1 1094 . 16 1 1 A 97 97 VAL C C 97 174.020 174.686 -0.666 1
1 1095 . 16 1 1 A 97 97 VAL CA C 97 61.710 60.586 1.124 1
1 1096 . 16 1 1 A 97 97 VAL CB C 97 33.977 35.738 -1.761 1
1 1099 . 16 1 1 A 97 97 VAL N N 97 121.904 119.781 2.123 1
1 1100 . 16 1 1 A 98 98 GLU H H 98 8.599 8.655 -0.056 1
1 1101 . 16 1 1 A 98 98 GLU HA H 98 4.778 5.198 -0.420 1
1 1106 . 16 1 1 A 98 98 GLU C C 98 173.807 175.478 -1.671 1
1 1107 . 16 1 1 A 98 98 GLU CA C 98 55.674 54.981 0.693 1
1 1108 . 16 1 1 A 98 98 GLU CB C 98 30.827 32.539 -1.712 1
1 1110 . 16 1 1 A 98 98 GLU N N 98 126.577 125.928 0.649 1
1 1111 . 16 1 1 A 99 99 PHE H H 99 8.701 9.162 -0.461 1
1 1112 . 16 1 1 A 99 99 PHE HA H 99 5.773 5.855 -0.082 1
1 1120 . 16 1 1 A 99 99 PHE C C 99 174.648 174.955 -0.307 1
1 1121 . 16 1 1 A 99 99 PHE CA C 99 55.799 57.013 -1.214 1
1 1122 . 16 1 1 A 99 99 PHE CB C 99 44.025 44.399 -0.374 1
1 1128 . 16 1 1 A 99 99 PHE N N 99 120.755 121.279 -0.524 1
1 1129 . 16 1 1 A 100 100 ALA H H 100 8.737 8.711 0.026 1
1 1130 . 16 1 1 A 100 100 ALA HA H 100 5.669 5.208 0.461 1
1 1134 . 16 1 1 A 100 100 ALA C C 100 176.491 176.294 0.197 1
1 1135 . 16 1 1 A 100 100 ALA CA C 100 49.850 51.652 -1.802 1
1 1136 . 16 1 1 A 100 100 ALA CB C 100 23.399 23.055 0.344 1
1 1137 . 16 1 1 A 100 100 ALA N N 100 118.211 122.098 -3.887 1
1 1138 . 16 1 1 A 101 101 THR H H 101 8.272 8.806 -0.534 1
1 1139 . 16 1 1 A 101 101 THR HA H 101 5.232 5.048 0.184 1
1 1144 . 16 1 1 A 101 101 THR C C 101 174.787 174.100 0.687 1
1 1145 . 16 1 1 A 101 101 THR CA C 101 59.068 60.405 -1.337 1
1 1146 . 16 1 1 A 101 101 THR CB C 101 70.089 71.751 -1.662 1
1 1148 . 16 1 1 A 101 101 THR N N 101 108.062 110.008 -1.946 1
1 1149 . 16 1 1 A 102 102 ASP H H 102 8.625 9.246 -0.621 1
1 1150 . 16 1 1 A 102 102 ASP HA H 102 5.009 4.748 0.261 1
1 1153 . 16 1 1 A 102 102 ASP C C 102 177.730 175.090 2.640 1
1 1154 . 16 1 1 A 102 102 ASP CA C 102 56.976 54.009 2.967 1
1 1155 . 16 1 1 A 102 102 ASP CB C 102 42.543 43.093 -0.550 1
1 1156 . 16 1 1 A 102 102 ASP N N 102 118.482 121.635 -3.153 1
1 1157 . 16 1 1 A 103 103 ARG H H 103 8.208 7.519 0.689 1
1 1158 . 16 1 1 A 103 103 ARG HA H 103 4.772 4.892 -0.120 1
1 1165 . 16 1 1 A 103 103 ARG C C 103 178.000 176.237 1.763 1
1 1166 . 16 1 1 A 103 103 ARG CA C 103 54.079 54.080 -0.001 1
1 1167 . 16 1 1 A 103 103 ARG CB C 103 33.914 34.354 -0.440 1
1 1170 . 16 1 1 A 103 103 ARG N N 103 116.043 117.435 -1.392 1
1 1171 . 16 1 1 A 104 104 VAL H H 104 8.516 8.818 -0.302 1
1 1172 . 16 1 1 A 104 104 VAL HA H 104 2.857 3.734 -0.877 1
1 1180 . 16 1 1 A 104 104 VAL C C 104 176.158 178.049 -1.891 1
1 1181 . 16 1 1 A 104 104 VAL CA C 104 64.625 64.786 -0.161 1
1 1182 . 16 1 1 A 104 104 VAL CB C 104 30.883 31.635 -0.752 1
1 1185 . 16 1 1 A 104 104 VAL N N 104 128.496 121.910 6.586 1
1 1186 . 16 1 1 A 105 105 GLU H H 105 9.414 8.206 1.208 1
1 1187 . 16 1 1 A 105 105 GLU HA H 105 3.989 4.082 -0.093 1
1 1192 . 16 1 1 A 105 105 GLU C C 105 179.982 178.909 1.073 1
1 1193 . 16 1 1 A 105 105 GLU CA C 105 60.599 59.279 1.320 1
1 1194 . 16 1 1 A 105 105 GLU CB C 105 27.973 29.308 -1.335 1
1 1196 . 16 1 1 A 105 105 GLU N N 105 121.934 120.990 0.944 1
1 1197 . 16 1 1 A 106 106 GLU H H 106 6.769 8.290 -1.521 1
1 1198 . 16 1 1 A 106 106 GLU HA H 106 4.370 4.118 0.252 1
1 1203 . 16 1 1 A 106 106 GLU C C 106 178.312 179.224 -0.912 1
1 1204 . 16 1 1 A 106 106 GLU CA C 106 58.503 59.224 -0.721 1
1 1205 . 16 1 1 A 106 106 GLU CB C 106 30.657 29.462 1.195 1
1 1207 . 16 1 1 A 106 106 GLU N N 106 116.721 120.248 -3.527 1
1 1208 . 16 1 1 A 107 107 LEU H H 107 7.161 7.587 -0.426 1
1 1209 . 16 1 1 A 107 107 LEU HA H 107 4.040 4.180 -0.140 1
1 1219 . 16 1 1 A 107 107 LEU C C 107 177.985 178.330 -0.345 1
1 1220 . 16 1 1 A 107 107 LEU CA C 107 58.930 58.164 0.766 1
1 1221 . 16 1 1 A 107 107 LEU CB C 107 40.058 42.096 -2.038 1
1 1225 . 16 1 1 A 107 107 LEU N N 107 122.171 122.458 -0.287 1
1 1226 . 16 1 1 A 108 108 PHE H H 108 7.986 8.329 -0.343 1
1 1227 . 16 1 1 A 108 108 PHE HA H 108 4.199 4.051 0.148 1
1 1234 . 16 1 1 A 108 108 PHE C C 108 178.069 177.827 0.242 1
1 1235 . 16 1 1 A 108 108 PHE CA C 108 61.167 60.896 0.271 1
1 1236 . 16 1 1 A 108 108 PHE CB C 108 38.208 38.443 -0.235 1
1 1241 . 16 1 1 A 108 108 PHE N N 108 116.696 119.212 -2.516 1
1 1242 . 16 1 1 A 109 109 GLU H H 109 7.719 8.545 -0.826 1
1 1243 . 16 1 1 A 109 109 GLU HA H 109 3.951 4.061 -0.110 1
1 1248 . 16 1 1 A 109 109 GLU C C 109 179.858 179.154 0.704 1
1 1249 . 16 1 1 A 109 109 GLU CA C 109 59.664 59.129 0.535 1
1 1250 . 16 1 1 A 109 109 GLU CB C 109 29.923 29.615 0.308 1
1 1252 . 16 1 1 A 109 109 GLU N N 109 119.214 119.576 -0.362 1
1 1253 . 16 1 1 A 110 110 TRP H H 110 8.445 7.960 0.485 1
1 1254 . 16 1 1 A 110 110 TRP HA H 110 3.634 4.255 -0.621 1
1 1263 . 16 1 1 A 110 110 TRP C C 110 177.691 178.864 -1.173 1
1 1264 . 16 1 1 A 110 110 TRP CA C 110 62.078 60.264 1.814 1
1 1265 . 16 1 1 A 110 110 TRP CB C 110 29.275 28.753 0.522 1
1 1271 . 16 1 1 A 110 110 TRP N N 110 120.045 120.767 -0.722 1
1 1273 . 16 1 1 A 111 111 PHE H H 111 8.668 7.780 0.888 1
1 1274 . 16 1 1 A 111 111 PHE HA H 111 3.436 3.867 -0.431 1
1 1282 . 16 1 1 A 111 111 PHE C C 111 176.547 177.550 -1.003 1
1 1283 . 16 1 1 A 111 111 PHE CA C 111 62.182 61.873 0.309 1
1 1284 . 16 1 1 A 111 111 PHE CB C 111 39.904 37.787 2.117 1
1 1290 . 16 1 1 A 111 111 PHE N N 111 117.907 117.676 0.231 1
1 1291 . 16 1 1 A 112 112 GLN H H 112 8.254 7.672 0.582 1
1 1292 . 16 1 1 A 112 112 GLN HA H 112 3.685 3.867 -0.182 1
1 1299 . 16 1 1 A 112 112 GLN C C 112 178.503 177.951 0.552 1
1 1300 . 16 1 1 A 112 112 GLN CA C 112 58.624 58.802 -0.178 1
1 1301 . 16 1 1 A 112 112 GLN CB C 112 27.980 28.224 -0.244 1
1 1303 . 16 1 1 A 112 112 GLN N N 112 116.394 120.237 -3.843 1
1 1305 . 16 1 1 A 113 113 SER H H 113 7.741 7.324 0.417 1
1 1306 . 16 1 1 A 113 113 SER HA H 113 4.036 4.477 -0.441 1
1 1309 . 16 1 1 A 113 113 SER C C 113 176.428 177.465 -1.037 1
1 1310 . 16 1 1 A 113 113 SER CA C 113 62.062 61.326 0.736 1
1 1311 . 16 1 1 A 113 113 SER CB C 113 62.655 62.707 -0.052 1
1 1312 . 16 1 1 A 113 113 SER N N 113 114.734 114.638 0.096 1
1 1313 . 16 1 1 A 114 114 ILE H H 114 7.915 7.810 0.105 1
1 1314 . 16 1 1 A 114 114 ILE HA H 114 3.559 3.666 -0.107 1
1 1324 . 16 1 1 A 114 114 ILE C C 114 178.594 178.334 0.260 1
1 1325 . 16 1 1 A 114 114 ILE CA C 114 65.364 65.152 0.212 1
1 1326 . 16 1 1 A 114 114 ILE CB C 114 38.395 37.413 0.982 1
1 1330 . 16 1 1 A 114 114 ILE N N 114 119.893 121.477 -1.584 1
1 1331 . 16 1 1 A 115 115 ARG H H 115 8.581 8.167 0.414 1
1 1332 . 16 1 1 A 115 115 ARG HA H 115 3.881 4.271 -0.390 1
1 1339 . 16 1 1 A 115 115 ARG C C 115 177.921 179.054 -1.133 1
1 1340 . 16 1 1 A 115 115 ARG CA C 115 58.689 59.527 -0.838 1
1 1341 . 16 1 1 A 115 115 ARG CB C 115 29.134 29.767 -0.633 1
1 1344 . 16 1 1 A 115 115 ARG N N 115 123.090 121.132 1.958 1
1 1345 . 16 1 1 A 116 116 GLU H H 116 7.653 8.003 -0.350 1
1 1346 . 16 1 1 A 116 116 GLU HA H 116 3.959 4.142 -0.183 1
1 1351 . 16 1 1 A 116 116 GLU C C 116 178.178 177.440 0.738 1
1 1352 . 16 1 1 A 116 116 GLU CA C 116 58.767 58.765 0.002 1
1 1353 . 16 1 1 A 116 116 GLU CB C 116 29.501 29.581 -0.080 1
1 1355 . 16 1 1 A 116 116 GLU N N 116 116.356 118.990 -2.634 1
1 1356 . 16 1 1 A 117 117 ILE H H 117 7.334 7.663 -0.329 1
1 1357 . 16 1 1 A 117 117 ILE HA H 117 3.909 4.125 -0.216 1
1 1367 . 16 1 1 A 117 117 ILE C C 117 177.733 177.444 0.289 1
1 1368 . 16 1 1 A 117 117 ILE CA C 117 63.443 62.742 0.701 1
1 1369 . 16 1 1 A 117 117 ILE CB C 117 39.059 39.359 -0.300 1
1 1373 . 16 1 1 A 117 117 ILE N N 117 117.514 117.421 0.093 1
1 1374 . 16 1 1 A 118 118 THR H H 118 8.075 7.574 0.501 1
1 1375 . 16 1 1 A 118 118 THR HA H 118 4.367 4.485 -0.118 1
1 1380 . 16 1 1 A 118 118 THR C C 118 176.050 175.910 0.140 1
1 1381 . 16 1 1 A 118 118 THR CA C 118 63.494 63.878 -0.384 1
1 1382 . 16 1 1 A 118 118 THR CB C 118 70.326 69.724 0.602 1
1 1384 . 16 1 1 A 118 118 THR N N 118 109.879 112.605 -2.726 1
1 1385 . 16 1 1 A 119 119 TRP H H 119 8.283 8.310 -0.027 1
1 1386 . 16 1 1 A 119 119 TRP HA H 119 4.792 4.229 0.563 1
1 1395 . 16 1 1 A 119 119 TRP C C 119 175.855 175.412 0.443 1
1 1396 . 16 1 1 A 119 119 TRP CA C 119 57.464 60.019 -2.555 1
1 1397 . 16 1 1 A 119 119 TRP CB C 119 29.488 30.105 -0.617 1
1 1403 . 16 1 1 A 119 119 TRP N N 119 124.034 123.700 0.334 1
1 1405 . 16 1 1 A 120 120 LYS H H 120 7.723 7.612 0.111 1
1 1406 . 16 1 1 A 120 120 LYS HA H 120 4.198 4.640 -0.442 1
1 1415 . 16 1 1 A 120 120 LYS C C 120 176.162 175.312 0.850 1
1 1416 . 16 1 1 A 120 120 LYS CA C 120 56.049 54.620 1.429 1
1 1417 . 16 1 1 A 120 120 LYS CB C 120 32.924 36.961 -4.037 1
1 1421 . 16 1 1 A 120 120 LYS N N 120 123.166 116.995 6.171 1
1 1422 . 16 1 1 A 121 121 ILE H H 121 7.874 8.838 -0.964 1
1 1423 . 16 1 1 A 121 121 ILE HA H 121 4.035 4.723 -0.688 1
1 1433 . 16 1 1 A 121 121 ILE C C 121 175.950 174.919 1.031 1
1 1434 . 16 1 1 A 121 121 ILE CA C 121 61.120 60.685 0.435 1
1 1435 . 16 1 1 A 121 121 ILE CB C 121 38.708 40.188 -1.480 1
1 1439 . 16 1 1 A 121 121 ILE N N 121 121.301 121.070 0.231 1
1 1440 . 16 1 1 A 122 122 ASP H H 122 8.317 9.117 -0.800 1
1 1441 . 16 1 1 A 122 122 ASP HA H 122 4.677 4.993 -0.316 1
1 1444 . 16 1 1 A 122 122 ASP C C 122 176.278 174.908 1.370 1
1 1445 . 16 1 1 A 122 122 ASP CA C 122 54.157 54.099 0.058 1
1 1446 . 16 1 1 A 122 122 ASP CB C 122 41.316 42.137 -0.821 1
1 1447 . 16 1 1 A 122 122 ASP N N 122 124.058 127.152 -3.094 1
1 1448 . 16 1 1 A 123 123 THR H H 123 8.003 7.574 0.429 1
1 1449 . 16 1 1 A 123 123 THR HA H 123 4.307 4.811 -0.504 1
1 1454 . 16 1 1 A 123 123 THR C C 123 173.831 172.214 1.617 1
1 1455 . 16 1 1 A 123 123 THR CA C 123 61.715 60.178 1.537 1
1 1456 . 16 1 1 A 123 123 THR CB C 123 69.736 71.271 -1.535 1
1 1458 . 16 1 1 A 123 123 THR N N 123 114.853 114.137 0.716 1
1 2 . 17 1 1 A 9 9 LYS H H 9 8.338 8.637 -0.299 1
1 3 . 17 1 1 A 9 9 LYS C C 9 176.402 175.737 0.665 1
1 4 . 17 1 1 A 9 9 LYS N N 9 122.857 122.474 0.383 1
1 5 . 17 1 1 A 10 10 ASP H H 10 8.335 7.527 0.808 1
1 6 . 17 1 1 A 10 10 ASP HA H 10 4.562 4.870 -0.308 1
1 9 . 17 1 1 A 10 10 ASP C C 10 176.123 175.877 0.246 1
1 10 . 17 1 1 A 10 10 ASP CA C 10 54.344 53.069 1.275 1
1 11 . 17 1 1 A 10 10 ASP CB C 10 41.227 43.159 -1.932 1
1 12 . 17 1 1 A 10 10 ASP N N 10 121.507 120.819 0.688 1
1 13 . 17 1 1 A 11 11 GLU H H 11 8.231 8.542 -0.311 1
1 14 . 17 1 1 A 11 11 GLU HA H 11 4.222 4.417 -0.195 1
1 19 . 17 1 1 A 11 11 GLU CA C 11 56.356 58.204 -1.848 1
1 20 . 17 1 1 A 11 11 GLU CB C 11 30.439 29.817 0.622 1
1 22 . 17 1 1 A 11 11 GLU N N 11 121.321 123.475 -2.154 1
1 23 . 17 1 1 A 12 12 HIS H H 12 8.431 7.376 1.055 1
1 24 . 17 1 1 A 12 12 HIS HA H 12 4.618 4.744 -0.126 1
1 28 . 17 1 1 A 12 12 HIS C C 12 174.980 174.932 0.048 1
1 29 . 17 1 1 A 12 12 HIS CA C 12 55.952 55.038 0.914 1
1 30 . 17 1 1 A 12 12 HIS CB C 12 30.058 31.021 -0.963 1
1 32 . 17 1 1 A 12 12 HIS N N 12 120.447 112.317 8.130 1
1 33 . 17 1 1 A 13 13 LYS H H 13 8.191 7.457 0.734 1
1 34 . 17 1 1 A 13 13 LYS HA H 13 4.355 3.944 0.411 1
1 43 . 17 1 1 A 13 13 LYS C C 13 175.327 176.566 -1.239 1
1 44 . 17 1 1 A 13 13 LYS CA C 13 55.620 57.024 -1.404 1
1 45 . 17 1 1 A 13 13 LYS CB C 13 33.729 32.959 0.770 1
1 49 . 17 1 1 A 13 13 LYS N N 13 124.365 122.336 2.029 1
1 50 . 17 1 1 A 14 14 GLN H H 14 8.229 8.335 -0.106 1
1 51 . 17 1 1 A 14 14 GLN HA H 14 4.037 5.014 -0.977 1
1 58 . 17 1 1 A 14 14 GLN C C 14 173.432 174.471 -1.039 1
1 59 . 17 1 1 A 14 14 GLN CA C 14 54.613 53.933 0.680 1
1 60 . 17 1 1 A 14 14 GLN CB C 14 29.096 32.201 -3.105 1
1 62 . 17 1 1 A 14 14 GLN N N 14 123.823 122.878 0.945 1
1 64 . 17 1 1 A 15 15 GLN H H 15 7.896 8.545 -0.649 1
1 65 . 17 1 1 A 15 15 GLN HA H 15 5.459 4.950 0.509 1
1 70 . 17 1 1 A 15 15 GLN C C 15 174.263 174.833 -0.570 1
1 71 . 17 1 1 A 15 15 GLN CA C 15 54.506 55.352 -0.846 1
1 72 . 17 1 1 A 15 15 GLN CB C 15 31.418 31.936 -0.518 1
1 74 . 17 1 1 A 15 15 GLN N N 15 121.452 122.536 -1.084 1
1 75 . 17 1 1 A 16 16 GLY H H 16 8.795 8.463 0.332 1
1 76 . 17 1 1 A 16 16 GLY HA2 H 16 4.056 4.248 -0.192 1
1 77 . 17 1 1 A 16 16 GLY HA3 H 16 4.801 4.459 0.342 1
1 78 . 17 1 1 A 16 16 GLY C C 16 171.456 171.541 -0.085 1
1 79 . 17 1 1 A 16 16 GLY CA C 16 44.773 46.068 -1.295 1
1 80 . 17 1 1 A 16 16 GLY N N 16 107.937 111.228 -3.291 1
1 81 . 17 1 1 A 17 17 GLU H H 17 8.718 8.500 0.218 1
1 82 . 17 1 1 A 17 17 GLU HA H 17 5.220 4.941 0.279 1
1 87 . 17 1 1 A 17 17 GLU C C 17 176.562 175.105 1.457 1
1 88 . 17 1 1 A 17 17 GLU CA C 17 55.880 54.810 1.070 1
1 89 . 17 1 1 A 17 17 GLU CB C 17 30.995 33.025 -2.030 1
1 91 . 17 1 1 A 17 17 GLU N N 17 119.686 121.709 -2.023 1
1 92 . 17 1 1 A 18 18 LEU H H 18 8.806 8.330 0.476 1
1 93 . 17 1 1 A 18 18 LEU HA H 18 4.652 4.757 -0.105 1
1 103 . 17 1 1 A 18 18 LEU C C 18 176.851 174.445 2.406 1
1 104 . 17 1 1 A 18 18 LEU CA C 18 53.786 53.117 0.669 1
1 105 . 17 1 1 A 18 18 LEU CB C 18 47.961 45.050 2.911 1
1 109 . 17 1 1 A 18 18 LEU N N 18 122.158 123.368 -1.210 1
1 110 . 17 1 1 A 19 19 TYR H H 19 8.833 8.474 0.359 1
1 111 . 17 1 1 A 19 19 TYR HA H 19 5.837 5.241 0.596 1
1 118 . 17 1 1 A 19 19 TYR C C 19 176.038 175.501 0.537 1
1 119 . 17 1 1 A 19 19 TYR CA C 19 56.750 56.556 0.194 1
1 120 . 17 1 1 A 19 19 TYR CB C 19 40.531 42.374 -1.843 1
1 125 . 17 1 1 A 19 19 TYR N N 19 117.278 119.391 -2.113 1
1 126 . 17 1 1 A 20 20 MET H H 20 9.743 9.319 0.424 1
1 127 . 17 1 1 A 20 20 MET HA H 20 5.207 5.496 -0.289 1
1 135 . 17 1 1 A 20 20 MET C C 20 175.349 174.772 0.577 1
1 136 . 17 1 1 A 20 20 MET CA C 20 54.611 54.471 0.140 1
1 137 . 17 1 1 A 20 20 MET CB C 20 37.352 36.790 0.562 1
1 140 . 17 1 1 A 20 20 MET N N 20 120.128 120.748 -0.620 1
1 141 . 17 1 1 A 21 21 TRP H H 21 8.142 8.322 -0.180 1
1 142 . 17 1 1 A 21 21 TRP HA H 21 4.084 3.875 0.209 1
1 150 . 17 1 1 A 21 21 TRP C C 21 174.752 174.423 0.329 1
1 151 . 17 1 1 A 21 21 TRP CA C 21 56.246 58.136 -1.890 1
1 152 . 17 1 1 A 21 21 TRP CB C 21 29.682 29.780 -0.098 1
1 157 . 17 1 1 A 21 21 TRP N N 21 126.799 124.864 1.935 1
1 159 . 17 1 1 A 22 22 ASP H H 22 8.034 7.472 0.562 1
1 160 . 17 1 1 A 22 22 ASP HA H 22 4.417 4.569 -0.152 1
1 163 . 17 1 1 A 22 22 ASP C C 22 175.814 175.907 -0.093 1
1 164 . 17 1 1 A 22 22 ASP CA C 22 52.020 52.459 -0.439 1
1 165 . 17 1 1 A 22 22 ASP CB C 22 41.748 41.681 0.067 1
1 166 . 17 1 1 A 22 22 ASP N N 22 129.313 126.958 2.355 1
1 167 . 17 1 1 A 23 23 SER H H 23 8.331 8.393 -0.062 1
1 168 . 17 1 1 A 23 23 SER HA H 23 3.719 3.897 -0.178 1
1 171 . 17 1 1 A 23 23 SER C C 23 175.145 176.327 -1.182 1
1 172 . 17 1 1 A 23 23 SER CA C 23 59.732 60.513 -0.781 1
1 173 . 17 1 1 A 23 23 SER CB C 23 63.304 62.813 0.491 1
1 174 . 17 1 1 A 23 23 SER N N 23 119.796 118.180 1.616 1
1 175 . 17 1 1 A 24 24 ILE H H 24 8.044 7.480 0.564 1
1 176 . 17 1 1 A 24 24 ILE HA H 24 3.849 3.606 0.243 1
1 186 . 17 1 1 A 24 24 ILE C C 24 177.615 176.973 0.642 1
1 187 . 17 1 1 A 24 24 ILE CA C 24 63.257 65.142 -1.885 1
1 188 . 17 1 1 A 24 24 ILE CB C 24 36.400 38.302 -1.902 1
1 192 . 17 1 1 A 24 24 ILE N N 24 124.085 122.371 1.714 1
1 193 . 17 1 1 A 25 25 ASP H H 25 7.641 7.624 0.017 1
1 194 . 17 1 1 A 25 25 ASP HA H 25 4.492 4.654 -0.162 1
1 197 . 17 1 1 A 25 25 ASP C C 25 175.486 175.062 0.424 1
1 198 . 17 1 1 A 25 25 ASP CA C 25 54.313 53.289 1.024 1
1 199 . 17 1 1 A 25 25 ASP CB C 25 40.789 41.593 -0.804 1
1 200 . 17 1 1 A 25 25 ASP N N 25 118.371 118.313 0.058 1
1 201 . 17 1 1 A 26 26 GLN H H 26 7.340 7.480 -0.140 1
1 202 . 17 1 1 A 26 26 GLN HA H 26 2.828 3.422 -0.594 1
1 209 . 17 1 1 A 26 26 GLN C C 26 173.882 174.532 -0.650 1
1 210 . 17 1 1 A 26 26 GLN CA C 26 55.956 56.616 -0.660 1
1 211 . 17 1 1 A 26 26 GLN CB C 26 25.070 26.697 -1.627 1
1 213 . 17 1 1 A 26 26 GLN N N 26 116.358 116.117 0.241 1
1 215 . 17 1 1 A 27 27 LYS H H 27 6.283 6.627 -0.344 1
1 216 . 17 1 1 A 27 27 LYS HA H 27 4.395 4.950 -0.555 1
1 225 . 17 1 1 A 27 27 LYS C C 27 173.510 174.111 -0.601 1
1 226 . 17 1 1 A 27 27 LYS CA C 27 54.164 55.079 -0.915 1
1 227 . 17 1 1 A 27 27 LYS CB C 27 35.825 34.516 1.309 1
1 231 . 17 1 1 A 27 27 LYS N N 27 114.611 113.723 0.888 1
1 232 . 17 1 1 A 28 28 TRP H H 28 8.751 8.820 -0.069 1
1 233 . 17 1 1 A 28 28 TRP HA H 28 5.383 5.572 -0.189 1
1 242 . 17 1 1 A 28 28 TRP C C 28 177.411 176.850 0.561 1
1 243 . 17 1 1 A 28 28 TRP CA C 28 55.957 55.760 0.197 1
1 244 . 17 1 1 A 28 28 TRP CB C 28 30.752 30.945 -0.193 1
1 250 . 17 1 1 A 28 28 TRP N N 28 121.520 119.396 2.124 1
1 252 . 17 1 1 A 29 29 THR H H 29 9.413 8.442 0.971 1
1 253 . 17 1 1 A 29 29 THR HA H 29 4.852 5.423 -0.571 1
1 258 . 17 1 1 A 29 29 THR C C 29 173.520 172.827 0.693 1
1 259 . 17 1 1 A 29 29 THR CA C 29 60.308 59.916 0.392 1
1 260 . 17 1 1 A 29 29 THR CB C 29 69.736 71.599 -1.863 1
1 262 . 17 1 1 A 29 29 THR N N 29 117.059 115.631 1.428 1
1 263 . 17 1 1 A 30 30 ARG H H 30 9.117 8.714 0.403 1
1 264 . 17 1 1 A 30 30 ARG HA H 30 4.790 4.054 0.736 1
1 272 . 17 1 1 A 30 30 ARG C C 30 174.447 174.956 -0.509 1
1 273 . 17 1 1 A 30 30 ARG CA C 30 55.949 54.377 1.572 1
1 274 . 17 1 1 A 30 30 ARG CB C 30 33.388 32.323 1.065 1
1 277 . 17 1 1 A 30 30 ARG N N 30 126.027 121.750 4.277 1
1 278 . 17 1 1 A 31 31 HIS H H 31 9.011 7.804 1.207 1
1 279 . 17 1 1 A 31 31 HIS HA H 31 4.636 5.767 -1.131 1
1 282 . 17 1 1 A 31 31 HIS C C 31 173.947 172.289 1.658 1
1 283 . 17 1 1 A 31 31 HIS CA C 31 55.185 53.429 1.756 1
1 284 . 17 1 1 A 31 31 HIS CB C 31 33.332 32.988 0.344 1
1 285 . 17 1 1 A 31 31 HIS N N 31 121.017 122.023 -1.006 1
1 286 . 17 1 1 A 32 32 TYR H H 32 9.361 9.080 0.281 1
1 287 . 17 1 1 A 32 32 TYR HA H 32 4.745 4.640 0.105 1
1 294 . 17 1 1 A 32 32 TYR C C 32 176.298 175.113 1.185 1
1 295 . 17 1 1 A 32 32 TYR CA C 32 59.316 56.928 2.388 1
1 296 . 17 1 1 A 32 32 TYR CB C 32 39.341 38.389 0.952 1
1 301 . 17 1 1 A 32 32 TYR N N 32 124.440 123.408 1.032 1
1 302 . 17 1 1 A 33 33 CYS H H 33 8.750 8.405 0.345 1
1 303 . 17 1 1 A 33 33 CYS HA H 33 5.857 4.992 0.865 1
1 306 . 17 1 1 A 33 33 CYS C C 33 172.735 174.016 -1.281 1
1 307 . 17 1 1 A 33 33 CYS CA C 33 57.108 58.062 -0.954 1
1 308 . 17 1 1 A 33 33 CYS CB C 33 32.779 29.338 3.441 1
1 309 . 17 1 1 A 33 33 CYS N N 33 127.462 126.631 0.831 1
1 310 . 17 1 1 A 34 34 ALA H H 34 8.565 8.557 0.008 1
1 311 . 17 1 1 A 34 34 ALA HA H 34 5.290 4.986 0.304 1
1 315 . 17 1 1 A 34 34 ALA C C 34 176.215 175.873 0.342 1
1 316 . 17 1 1 A 34 34 ALA CA C 34 51.773 52.135 -0.362 1
1 317 . 17 1 1 A 34 34 ALA CB C 34 23.139 22.344 0.795 1
1 318 . 17 1 1 A 34 34 ALA N N 34 121.115 122.653 -1.538 1
1 319 . 17 1 1 A 35 35 ILE H H 35 8.413 8.793 -0.380 1
1 320 . 17 1 1 A 35 35 ILE HA H 35 5.275 4.841 0.434 1
1 330 . 17 1 1 A 35 35 ILE C C 35 175.768 175.068 0.700 1
1 331 . 17 1 1 A 35 35 ILE CA C 35 60.105 60.740 -0.635 1
1 332 . 17 1 1 A 35 35 ILE CB C 35 39.737 37.674 2.063 1
1 336 . 17 1 1 A 35 35 ILE N N 35 120.176 123.149 -2.973 1
1 337 . 17 1 1 A 36 36 ALA H H 36 8.666 8.695 -0.029 1
1 338 . 17 1 1 A 36 36 ALA HA H 36 4.581 4.719 -0.138 1
1 342 . 17 1 1 A 36 36 ALA CA C 36 52.028 51.377 0.651 1
1 343 . 17 1 1 A 36 36 ALA CB C 36 21.365 20.486 0.879 1
1 344 . 17 1 1 A 36 36 ALA N N 36 129.732 132.173 -2.441 1
1 345 . 17 1 1 A 37 37 ASP H H 37 9.379 9.039 0.340 1
1 346 . 17 1 1 A 37 37 ASP HA H 37 4.228 4.461 -0.233 1
1 349 . 17 1 1 A 37 37 ASP C C 37 174.579 175.691 -1.112 1
1 350 . 17 1 1 A 37 37 ASP CA C 37 55.822 56.860 -1.038 1
1 351 . 17 1 1 A 37 37 ASP CB C 37 39.784 40.440 -0.656 1
1 352 . 17 1 1 A 37 37 ASP N N 37 124.926 122.711 2.215 1
1 353 . 17 1 1 A 38 38 ALA H H 38 8.710 8.337 0.373 1
1 354 . 17 1 1 A 38 38 ALA HA H 38 3.911 4.558 -0.647 1
1 358 . 17 1 1 A 38 38 ALA C C 38 174.866 176.707 -1.841 1
1 359 . 17 1 1 A 38 38 ALA CA C 38 53.040 51.670 1.370 1
1 360 . 17 1 1 A 38 38 ALA CB C 38 17.654 20.935 -3.281 1
1 361 . 17 1 1 A 38 38 ALA N N 38 115.547 126.218 -10.671 1
1 362 . 17 1 1 A 39 39 LYS H H 39 8.054 7.865 0.189 1
1 363 . 17 1 1 A 39 39 LYS HA H 39 5.247 4.990 0.257 1
1 372 . 17 1 1 A 39 39 LYS C C 39 175.201 174.705 0.496 1
1 373 . 17 1 1 A 39 39 LYS CA C 39 54.583 54.662 -0.079 1
1 374 . 17 1 1 A 39 39 LYS CB C 39 34.824 35.656 -0.832 1
1 378 . 17 1 1 A 39 39 LYS N N 39 117.589 117.249 0.340 1
1 379 . 17 1 1 A 40 40 LEU H H 40 9.090 8.729 0.361 1
1 380 . 17 1 1 A 40 40 LEU HA H 40 5.353 5.169 0.184 1
1 390 . 17 1 1 A 40 40 LEU C C 40 175.382 175.016 0.366 1
1 391 . 17 1 1 A 40 40 LEU CA C 40 53.987 53.609 0.378 1
1 392 . 17 1 1 A 40 40 LEU CB C 40 45.718 44.740 0.978 1
1 396 . 17 1 1 A 40 40 LEU N N 40 126.300 124.869 1.431 1
1 397 . 17 1 1 A 41 41 SER H H 41 9.539 9.063 0.476 1
1 398 . 17 1 1 A 41 41 SER HA H 41 5.493 5.348 0.145 1
1 401 . 17 1 1 A 41 41 SER C C 41 173.435 173.944 -0.509 1
1 402 . 17 1 1 A 41 41 SER CA C 41 56.816 57.537 -0.721 1
1 403 . 17 1 1 A 41 41 SER CB C 41 65.706 64.554 1.152 1
1 404 . 17 1 1 A 41 41 SER N N 41 123.399 124.674 -1.275 1
1 405 . 17 1 1 A 42 42 PHE H H 42 8.344 8.496 -0.152 1
1 406 . 17 1 1 A 42 42 PHE HA H 42 5.888 5.674 0.214 1
1 414 . 17 1 1 A 42 42 PHE C C 42 175.198 175.000 0.198 1
1 415 . 17 1 1 A 42 42 PHE CA C 42 54.335 55.462 -1.127 1
1 416 . 17 1 1 A 42 42 PHE CB C 42 43.360 41.683 1.677 1
1 422 . 17 1 1 A 42 42 PHE N N 42 117.935 123.057 -5.122 1
1 423 . 17 1 1 A 43 43 SER H H 43 8.843 8.722 0.121 1
1 424 . 17 1 1 A 43 43 SER HA H 43 4.918 5.043 -0.125 1
1 427 . 17 1 1 A 43 43 SER C C 43 175.040 174.235 0.805 1
1 428 . 17 1 1 A 43 43 SER CA C 43 58.215 57.526 0.689 1
1 429 . 17 1 1 A 43 43 SER CB C 43 66.789 65.909 0.880 1
1 430 . 17 1 1 A 43 43 SER N N 43 117.280 116.189 1.091 1
1 431 . 17 1 1 A 44 44 ASP H H 44 8.818 7.897 0.921 1
1 432 . 17 1 1 A 44 44 ASP HA H 44 4.909 4.708 0.201 1
1 435 . 17 1 1 A 44 44 ASP C C 44 175.955 175.713 0.242 1
1 436 . 17 1 1 A 44 44 ASP CA C 44 54.815 53.935 0.880 1
1 437 . 17 1 1 A 44 44 ASP CB C 44 41.729 41.521 0.208 1
1 438 . 17 1 1 A 44 44 ASP N N 44 120.846 122.326 -1.480 1
1 439 . 17 1 1 A 45 45 ASP H H 45 8.726 8.572 0.154 1
1 440 . 17 1 1 A 45 45 ASP HA H 45 4.273 4.962 -0.689 1
1 443 . 17 1 1 A 45 45 ASP C C 45 177.889 177.652 0.237 1
1 444 . 17 1 1 A 45 45 ASP CA C 45 54.145 55.166 -1.021 1
1 445 . 17 1 1 A 45 45 ASP CB C 45 41.329 41.166 0.163 1
1 446 . 17 1 1 A 45 45 ASP N N 45 120.848 121.971 -1.123 1
1 447 . 17 1 1 A 46 46 ILE H H 46 8.369 8.687 -0.318 1
1 448 . 17 1 1 A 46 46 ILE HA H 46 4.079 4.338 -0.259 1
1 458 . 17 1 1 A 46 46 ILE C C 46 177.339 176.559 0.780 1
1 459 . 17 1 1 A 46 46 ILE CA C 46 62.357 61.345 1.012 1
1 460 . 17 1 1 A 46 46 ILE CB C 46 38.708 37.918 0.790 1
1 464 . 17 1 1 A 46 46 ILE N N 46 123.832 119.046 4.786 1
1 465 . 17 1 1 A 47 47 GLU H H 47 8.577 7.996 0.581 1
1 466 . 17 1 1 A 47 47 GLU HA H 47 4.258 4.523 -0.265 1
1 471 . 17 1 1 A 47 47 GLU C C 47 177.164 177.448 -0.284 1
1 472 . 17 1 1 A 47 47 GLU CA C 47 57.249 56.989 0.260 1
1 473 . 17 1 1 A 47 47 GLU CB C 47 29.900 31.654 -1.754 1
1 475 . 17 1 1 A 47 47 GLU N N 47 122.294 120.025 2.269 1
1 476 . 17 1 1 A 48 48 GLN H H 48 7.894 8.381 -0.487 1
1 477 . 17 1 1 A 48 48 GLN HA H 48 4.365 4.155 0.210 1
1 484 . 17 1 1 A 48 48 GLN C C 48 176.278 176.589 -0.311 1
1 485 . 17 1 1 A 48 48 GLN CA C 48 55.830 58.376 -2.546 1
1 486 . 17 1 1 A 48 48 GLN CB C 48 29.383 29.076 0.307 1
1 488 . 17 1 1 A 48 48 GLN N N 48 118.968 119.437 -0.469 1
1 490 . 17 1 1 A 49 49 THR H H 49 8.048 8.246 -0.198 1
1 491 . 17 1 1 A 49 49 THR HA H 49 4.331 4.211 0.120 1
1 496 . 17 1 1 A 49 49 THR C C 49 174.784 174.155 0.629 1
1 497 . 17 1 1 A 49 49 THR CA C 49 62.135 64.561 -2.426 1
1 498 . 17 1 1 A 49 49 THR CB C 49 69.736 68.340 1.396 1
1 500 . 17 1 1 A 49 49 THR N N 49 114.601 113.945 0.656 1
1 501 . 17 1 1 A 50 50 MET H H 50 8.409 8.176 0.233 1
1 502 . 17 1 1 A 50 50 MET HA H 50 4.510 4.167 0.343 1
1 510 . 17 1 1 A 50 50 MET C C 50 176.451 174.886 1.565 1
1 511 . 17 1 1 A 50 50 MET CA C 50 55.601 55.800 -0.199 1
1 512 . 17 1 1 A 50 50 MET CB C 50 32.850 31.210 1.640 1
1 515 . 17 1 1 A 50 50 MET N N 50 122.660 117.527 5.133 1
1 516 . 17 1 1 A 51 51 GLU H H 51 8.418 8.477 -0.059 1
1 517 . 17 1 1 A 51 51 GLU HA H 51 4.272 4.744 -0.472 1
1 522 . 17 1 1 A 51 51 GLU C C 51 176.777 176.767 0.010 1
1 523 . 17 1 1 A 51 51 GLU CA C 51 56.680 54.672 2.008 1
1 524 . 17 1 1 A 51 51 GLU CB C 51 30.262 32.304 -2.042 1
1 526 . 17 1 1 A 51 51 GLU N N 51 121.650 121.572 0.078 1
1 527 . 17 1 1 A 52 52 GLU H H 52 8.325 8.694 -0.369 1
1 528 . 17 1 1 A 52 52 GLU HA H 52 4.174 4.051 0.123 1
1 533 . 17 1 1 A 52 52 GLU C C 52 176.178 176.984 -0.806 1
1 534 . 17 1 1 A 52 52 GLU N N 52 120.869 124.775 -3.906 1
1 535 . 17 1 1 A 53 53 ASP H H 53 8.320 7.641 0.679 1
1 536 . 17 1 1 A 53 53 ASP HA H 53 4.527 4.785 -0.258 1
1 539 . 17 1 1 A 53 53 ASP C C 53 175.650 175.836 -0.186 1
1 540 . 17 1 1 A 53 53 ASP CA C 53 54.322 52.720 1.602 1
1 541 . 17 1 1 A 53 53 ASP CB C 53 41.040 41.319 -0.279 1
1 542 . 17 1 1 A 53 53 ASP N N 53 119.656 114.110 5.546 1
1 543 . 17 1 1 A 54 54 ASN H H 54 8.134 8.231 -0.097 1
1 544 . 17 1 1 A 54 54 ASN HA H 54 4.970 4.692 0.278 1
1 549 . 17 1 1 A 54 54 ASN CA C 54 51.120 53.888 -2.768 1
1 550 . 17 1 1 A 54 54 ASN CB C 54 39.125 37.036 2.089 1
1 551 . 17 1 1 A 54 54 ASN N N 54 118.436 113.667 4.769 1
1 553 . 17 1 1 A 55 55 PRO HA H 55 4.394 4.282 0.112 1
1 560 . 17 1 1 A 55 55 PRO C C 55 177.514 178.026 -0.512 1
1 561 . 17 1 1 A 55 55 PRO CA C 55 63.910 65.500 -1.590 1
1 562 . 17 1 1 A 55 55 PRO CB C 55 32.077 31.455 0.622 1
1 565 . 17 1 1 A 56 56 LEU H H 56 8.181 8.009 0.172 1
1 566 . 17 1 1 A 56 56 LEU HA H 56 4.268 4.569 -0.301 1
1 576 . 17 1 1 A 56 56 LEU C C 56 178.176 177.128 1.048 1
1 577 . 17 1 1 A 56 56 LEU CA C 56 55.542 56.213 -0.671 1
1 578 . 17 1 1 A 56 56 LEU CB C 56 41.783 44.170 -2.387 1
1 582 . 17 1 1 A 56 56 LEU N N 56 120.122 116.210 3.912 1
1 583 . 17 1 1 A 57 57 GLY H H 57 8.071 8.255 -0.184 1
1 584 . 17 1 1 A 57 57 GLY HA2 H 57 3.946 3.937 0.009 1
1 585 . 17 1 1 A 57 57 GLY HA3 H 57 3.946 3.937 0.009 1
1 586 . 17 1 1 A 57 57 GLY C C 57 174.306 174.844 -0.538 1
1 587 . 17 1 1 A 57 57 GLY CA C 57 45.460 46.468 -1.008 1
1 588 . 17 1 1 A 57 57 GLY N N 57 108.437 107.423 1.014 1
1 589 . 17 1 1 A 58 58 SER H H 58 8.170 8.155 0.015 1
1 590 . 17 1 1 A 58 58 SER HA H 58 4.460 4.421 0.039 1
1 593 . 17 1 1 A 58 58 SER C C 58 174.785 174.815 -0.030 1
1 594 . 17 1 1 A 58 58 SER CA C 58 58.319 58.145 0.174 1
1 595 . 17 1 1 A 58 58 SER CB C 58 63.792 64.926 -1.134 1
1 596 . 17 1 1 A 58 58 SER N N 58 115.478 114.686 0.792 1
1 597 . 17 1 1 A 59 59 LEU H H 59 8.278 8.571 -0.293 1
1 598 . 17 1 1 A 59 59 LEU HA H 59 4.384 4.326 0.058 1
1 608 . 17 1 1 A 59 59 LEU CA C 59 55.219 57.565 -2.346 1
1 609 . 17 1 1 A 59 59 LEU CB C 59 42.377 42.700 -0.323 1
1 613 . 17 1 1 A 59 59 LEU N N 59 124.033 123.731 0.302 1
1 614 . 17 1 1 A 60 60 CYS H H 60 8.331 7.762 0.569 1
1 615 . 17 1 1 A 60 60 CYS HA H 60 4.398 4.252 0.146 1
1 618 . 17 1 1 A 60 60 CYS C C 60 174.142 174.333 -0.191 1
1 619 . 17 1 1 A 60 60 CYS CA C 60 58.505 59.490 -0.985 1
1 620 . 17 1 1 A 60 60 CYS CB C 60 27.338 27.381 -0.043 1
1 621 . 17 1 1 A 60 60 CYS N N 60 120.390 115.327 5.063 1
1 622 . 17 1 1 A 61 61 ARG H H 61 8.632 8.435 0.197 1
1 623 . 17 1 1 A 61 61 ARG HA H 61 4.337 4.387 -0.050 1
1 630 . 17 1 1 A 61 61 ARG C C 61 176.096 176.575 -0.479 1
1 631 . 17 1 1 A 61 61 ARG CA C 61 56.003 56.296 -0.293 1
1 632 . 17 1 1 A 61 61 ARG CB C 61 30.757 31.587 -0.830 1
1 635 . 17 1 1 A 61 61 ARG N N 61 125.869 125.223 0.646 1
1 636 . 17 1 1 A 62 62 GLY H H 62 7.263 6.310 0.953 1
1 637 . 17 1 1 A 62 62 GLY HA2 H 62 3.008 3.605 -0.597 1
1 638 . 17 1 1 A 62 62 GLY HA3 H 62 3.875 3.872 0.003 1
1 639 . 17 1 1 A 62 62 GLY C C 62 170.609 171.277 -0.668 1
1 640 . 17 1 1 A 62 62 GLY CA C 62 44.808 44.988 -0.180 1
1 641 . 17 1 1 A 62 62 GLY N N 62 107.908 102.632 5.276 1
1 642 . 17 1 1 A 63 63 ILE H H 63 7.895 8.470 -0.575 1
1 643 . 17 1 1 A 63 63 ILE HA H 63 4.843 5.237 -0.394 1
1 653 . 17 1 1 A 63 63 ILE C C 63 175.450 174.820 0.630 1
1 654 . 17 1 1 A 63 63 ILE CA C 63 60.322 59.930 0.392 1
1 655 . 17 1 1 A 63 63 ILE CB C 63 41.957 42.125 -0.168 1
1 659 . 17 1 1 A 63 63 ILE N N 63 117.987 121.791 -3.804 1
1 660 . 17 1 1 A 64 64 LEU H H 64 9.429 9.184 0.245 1
1 661 . 17 1 1 A 64 64 LEU HA H 64 4.916 4.759 0.157 1
1 671 . 17 1 1 A 64 64 LEU C C 64 176.136 176.348 -0.212 1
1 672 . 17 1 1 A 64 64 LEU CA C 64 53.059 54.054 -0.995 1
1 673 . 17 1 1 A 64 64 LEU CB C 64 43.788 41.796 1.992 1
1 677 . 17 1 1 A 64 64 LEU N N 64 127.063 127.101 -0.038 1
1 678 . 17 1 1 A 65 65 ASP H H 65 9.241 9.152 0.089 1
1 679 . 17 1 1 A 65 65 ASP HA H 65 4.818 4.373 0.445 1
1 682 . 17 1 1 A 65 65 ASP C C 65 177.925 176.602 1.323 1
1 683 . 17 1 1 A 65 65 ASP CA C 65 53.628 57.415 -3.787 1
1 684 . 17 1 1 A 65 65 ASP CB C 65 40.307 40.500 -0.193 1
1 685 . 17 1 1 A 65 65 ASP N N 65 122.728 125.345 -2.617 1
1 686 . 17 1 1 A 66 66 LEU H H 66 8.766 8.086 0.680 1
1 687 . 17 1 1 A 66 66 LEU HA H 66 4.212 4.168 0.044 1
1 697 . 17 1 1 A 66 66 LEU C C 66 177.167 176.522 0.645 1
1 698 . 17 1 1 A 66 66 LEU CA C 66 57.854 56.584 1.270 1
1 699 . 17 1 1 A 66 66 LEU CB C 66 41.006 40.310 0.696 1
1 703 . 17 1 1 A 66 66 LEU N N 66 126.997 116.874 10.123 1
1 704 . 17 1 1 A 67 67 ASN H H 67 8.585 8.361 0.224 1
1 705 . 17 1 1 A 67 67 ASN HA H 67 4.721 4.790 -0.069 1
1 710 . 17 1 1 A 67 67 ASN C C 67 176.583 175.925 0.658 1
1 711 . 17 1 1 A 67 67 ASN CA C 67 55.648 54.504 1.144 1
1 712 . 17 1 1 A 67 67 ASN CB C 67 38.464 39.767 -1.303 1
1 713 . 17 1 1 A 67 67 ASN N N 67 113.883 115.903 -2.020 1
1 715 . 17 1 1 A 68 68 THR H H 68 8.007 8.105 -0.098 1
1 716 . 17 1 1 A 68 68 THR HA H 68 4.513 4.601 -0.088 1
1 721 . 17 1 1 A 68 68 THR C C 68 172.870 173.445 -0.575 1
1 722 . 17 1 1 A 68 68 THR CA C 68 61.441 60.029 1.412 1
1 723 . 17 1 1 A 68 68 THR CB C 68 69.432 68.664 0.768 1
1 725 . 17 1 1 A 68 68 THR N N 68 108.340 105.959 2.381 1
1 726 . 17 1 1 A 69 69 TYR H H 69 7.560 8.737 -1.177 1
1 727 . 17 1 1 A 69 69 TYR HA H 69 5.199 5.526 -0.327 1
1 734 . 17 1 1 A 69 69 TYR C C 69 174.283 174.540 -0.257 1
1 735 . 17 1 1 A 69 69 TYR CA C 69 57.848 56.366 1.482 1
1 736 . 17 1 1 A 69 69 TYR CB C 69 44.393 43.648 0.745 1
1 741 . 17 1 1 A 69 69 TYR N N 69 119.888 124.641 -4.753 1
1 742 . 17 1 1 A 70 70 ASN H H 70 9.116 9.265 -0.149 1
1 743 . 17 1 1 A 70 70 ASN HA H 70 5.162 5.479 -0.317 1
1 748 . 17 1 1 A 70 70 ASN C C 70 174.340 174.195 0.145 1
1 749 . 17 1 1 A 70 70 ASN CA C 70 52.364 52.616 -0.252 1
1 750 . 17 1 1 A 70 70 ASN CB C 70 42.062 42.941 -0.879 1
1 751 . 17 1 1 A 70 70 ASN N N 70 116.071 117.688 -1.617 1
1 753 . 17 1 1 A 71 71 VAL H H 71 8.564 9.028 -0.464 1
1 754 . 17 1 1 A 71 71 VAL HA H 71 5.766 4.868 0.898 1
1 762 . 17 1 1 A 71 71 VAL C C 71 173.261 175.687 -2.426 1
1 763 . 17 1 1 A 71 71 VAL CA C 71 59.076 62.008 -2.932 1
1 764 . 17 1 1 A 71 71 VAL CB C 71 34.982 32.745 2.237 1
1 767 . 17 1 1 A 71 71 VAL N N 71 120.784 124.543 -3.759 1
1 768 . 17 1 1 A 72 72 VAL H H 72 9.308 8.685 0.623 1
1 769 . 17 1 1 A 72 72 VAL HA H 72 4.806 4.647 0.159 1
1 777 . 17 1 1 A 72 72 VAL C C 72 175.047 173.955 1.092 1
1 778 . 17 1 1 A 72 72 VAL CA C 72 60.330 59.791 0.539 1
1 779 . 17 1 1 A 72 72 VAL CB C 72 36.467 34.816 1.651 1
1 782 . 17 1 1 A 72 72 VAL N N 72 125.272 121.145 4.127 1
1 783 . 17 1 1 A 73 73 LYS H H 73 8.793 8.233 0.560 1
1 784 . 17 1 1 A 73 73 LYS HA H 73 4.652 3.009 1.643 1
1 793 . 17 1 1 A 73 73 LYS C C 73 176.241 174.612 1.629 1
1 794 . 17 1 1 A 73 73 LYS CA C 73 55.799 55.747 0.052 1
1 795 . 17 1 1 A 73 73 LYS CB C 73 33.452 32.206 1.246 1
1 799 . 17 1 1 A 73 73 LYS N N 73 124.197 126.508 -2.311 1
1 800 . 17 1 1 A 74 74 ALA H H 74 8.172 8.329 -0.157 1
1 801 . 17 1 1 A 74 74 ALA HA H 74 4.849 4.513 0.336 1
1 805 . 17 1 1 A 74 74 ALA CA C 74 49.540 50.094 -0.554 1
1 806 . 17 1 1 A 74 74 ALA CB C 74 17.685 19.596 -1.911 1
1 807 . 17 1 1 A 74 74 ALA N N 74 128.026 129.488 -1.462 1
1 808 . 17 1 1 A 75 75 PRO HA H 75 4.351 4.437 -0.086 1
1 815 . 17 1 1 A 75 75 PRO CA C 75 65.256 63.133 2.123 1
1 816 . 17 1 1 A 75 75 PRO CB C 75 32.158 32.386 -0.228 1
1 819 . 17 1 1 A 76 76 GLN H H 76 8.660 9.121 -0.461 1
1 820 . 17 1 1 A 76 76 GLN HA H 76 4.561 3.891 0.670 1
1 825 . 17 1 1 A 76 76 GLN C C 76 176.426 175.034 1.392 1
1 826 . 17 1 1 A 76 76 GLN CA C 76 55.168 56.792 -1.624 1
1 827 . 17 1 1 A 76 76 GLN CB C 76 28.925 27.747 1.178 1
1 829 . 17 1 1 A 76 76 GLN N N 76 116.110 122.044 -5.934 1
1 830 . 17 1 1 A 77 77 GLY H H 77 7.527 8.437 -0.910 1
1 831 . 17 1 1 A 77 77 GLY HA2 H 77 3.382 3.809 -0.427 1
1 832 . 17 1 1 A 77 77 GLY HA3 H 77 4.505 3.838 0.667 1
1 833 . 17 1 1 A 77 77 GLY C C 77 172.487 174.520 -2.033 1
1 834 . 17 1 1 A 77 77 GLY CA C 77 44.852 46.464 -1.612 1
1 835 . 17 1 1 A 77 77 GLY N N 77 107.608 106.119 1.489 1
1 836 . 17 1 1 A 78 78 LYS H H 78 8.123 8.588 -0.465 1
1 837 . 17 1 1 A 78 78 LYS HA H 78 4.191 4.487 -0.296 1
1 846 . 17 1 1 A 78 78 LYS C C 78 175.300 177.810 -2.510 1
1 847 . 17 1 1 A 78 78 LYS CA C 78 56.737 57.290 -0.553 1
1 848 . 17 1 1 A 78 78 LYS CB C 78 35.900 35.582 0.318 1
1 852 . 17 1 1 A 78 78 LYS N N 78 117.756 123.893 -6.137 1
1 853 . 17 1 1 A 79 79 ASN H H 79 9.105 8.647 0.458 1
1 854 . 17 1 1 A 79 79 ASN HA H 79 4.099 4.742 -0.643 1
1 859 . 17 1 1 A 79 79 ASN C C 79 175.098 176.760 -1.662 1
1 860 . 17 1 1 A 79 79 ASN CA C 79 54.563 54.209 0.354 1
1 861 . 17 1 1 A 79 79 ASN CB C 79 37.353 38.958 -1.605 1
1 862 . 17 1 1 A 79 79 ASN N N 79 120.643 116.005 4.638 1
1 864 . 17 1 1 A 80 80 GLN H H 80 8.608 8.419 0.189 1
1 865 . 17 1 1 A 80 80 GLN HA H 80 3.648 4.580 -0.932 1
1 870 . 17 1 1 A 80 80 GLN C C 80 175.327 175.389 -0.062 1
1 871 . 17 1 1 A 80 80 GLN CA C 80 57.975 55.468 2.507 1
1 872 . 17 1 1 A 80 80 GLN CB C 80 26.506 30.577 -4.071 1
1 874 . 17 1 1 A 80 80 GLN N N 80 108.385 114.980 -6.595 1
1 875 . 17 1 1 A 81 81 LYS H H 81 7.608 7.837 -0.229 1
1 876 . 17 1 1 A 81 81 LYS HA H 81 4.325 4.498 -0.173 1
1 885 . 17 1 1 A 81 81 LYS C C 81 176.242 176.040 0.202 1
1 886 . 17 1 1 A 81 81 LYS CA C 81 54.186 54.488 -0.302 1
1 887 . 17 1 1 A 81 81 LYS CB C 81 33.385 34.401 -1.016 1
1 891 . 17 1 1 A 81 81 LYS N N 81 119.675 119.823 -0.148 1
1 892 . 17 1 1 A 82 82 SER H H 82 7.692 8.399 -0.707 1
1 893 . 17 1 1 A 82 82 SER HA H 82 3.850 4.436 -0.586 1
1 896 . 17 1 1 A 82 82 SER C C 82 174.045 173.870 0.175 1
1 897 . 17 1 1 A 82 82 SER CA C 82 60.984 58.912 2.072 1
1 898 . 17 1 1 A 82 82 SER CB C 82 62.962 65.134 -2.172 1
1 899 . 17 1 1 A 82 82 SER N N 82 117.008 114.760 2.248 1
1 900 . 17 1 1 A 83 83 PHE H H 83 8.545 7.559 0.986 1
1 901 . 17 1 1 A 83 83 PHE HA H 83 4.921 5.132 -0.211 1
1 908 . 17 1 1 A 83 83 PHE C C 83 172.686 174.780 -2.094 1
1 909 . 17 1 1 A 83 83 PHE CA C 83 55.383 56.570 -1.187 1
1 910 . 17 1 1 A 83 83 PHE CB C 83 37.774 39.643 -1.869 1
1 915 . 17 1 1 A 83 83 PHE N N 83 124.073 117.525 6.548 1
1 916 . 17 1 1 A 84 84 VAL H H 84 8.420 8.778 -0.358 1
1 917 . 17 1 1 A 84 84 VAL HA H 84 5.348 5.286 0.062 1
1 925 . 17 1 1 A 84 84 VAL C C 84 175.816 174.928 0.888 1
1 926 . 17 1 1 A 84 84 VAL CA C 84 60.177 60.925 -0.748 1
1 927 . 17 1 1 A 84 84 VAL CB C 84 37.646 35.552 2.094 1
1 930 . 17 1 1 A 84 84 VAL N N 84 123.085 123.649 -0.564 1
1 931 . 17 1 1 A 85 85 PHE H H 85 8.812 9.066 -0.254 1
1 932 . 17 1 1 A 85 85 PHE HA H 85 5.510 5.254 0.256 1
1 940 . 17 1 1 A 85 85 PHE C C 85 171.610 175.010 -3.400 1
1 941 . 17 1 1 A 85 85 PHE CA C 85 55.360 55.691 -0.331 1
1 942 . 17 1 1 A 85 85 PHE CB C 85 41.424 41.948 -0.524 1
1 948 . 17 1 1 A 85 85 PHE N N 85 122.454 124.993 -2.539 1
1 949 . 17 1 1 A 86 86 ILE H H 86 9.406 9.148 0.258 1
1 950 . 17 1 1 A 86 86 ILE HA H 86 4.844 5.287 -0.443 1
1 960 . 17 1 1 A 86 86 ILE C C 86 175.559 174.752 0.807 1
1 961 . 17 1 1 A 86 86 ILE CA C 86 60.323 59.852 0.471 1
1 962 . 17 1 1 A 86 86 ILE CB C 86 42.374 41.387 0.987 1
1 966 . 17 1 1 A 86 86 ILE N N 86 120.483 122.296 -1.813 1
1 967 . 17 1 1 A 87 87 LEU H H 87 9.450 9.264 0.186 1
1 968 . 17 1 1 A 87 87 LEU HA H 87 5.238 5.567 -0.329 1
1 978 . 17 1 1 A 87 87 LEU C C 87 175.145 175.772 -0.627 1
1 979 . 17 1 1 A 87 87 LEU CA C 87 52.778 53.411 -0.633 1
1 980 . 17 1 1 A 87 87 LEU CB C 87 40.657 43.620 -2.963 1
1 984 . 17 1 1 A 87 87 LEU N N 87 126.149 127.522 -1.373 1
1 985 . 17 1 1 A 88 88 GLU H H 88 9.120 9.102 0.018 1
1 986 . 17 1 1 A 88 88 GLU HA H 88 4.986 4.964 0.022 1
1 991 . 17 1 1 A 88 88 GLU CA C 88 52.677 52.828 -0.151 1
1 992 . 17 1 1 A 88 88 GLU CB C 88 31.511 30.673 0.838 1
1 994 . 17 1 1 A 88 88 GLU N N 88 126.028 124.275 1.753 1
1 995 . 17 1 1 A 89 89 PRO HA H 89 4.239 4.101 0.138 1
1 1002 . 17 1 1 A 89 89 PRO C C 89 177.398 176.920 0.478 1
1 1003 . 17 1 1 A 89 89 PRO CA C 89 63.214 62.570 0.644 1
1 1004 . 17 1 1 A 89 89 PRO CB C 89 32.855 32.370 0.485 1
1 1007 . 17 1 1 A 90 90 LYS H H 90 8.166 8.671 -0.505 1
1 1008 . 17 1 1 A 90 90 LYS HA H 90 4.041 4.505 -0.464 1
1 1017 . 17 1 1 A 90 90 LYS C C 90 177.384 176.698 0.686 1
1 1018 . 17 1 1 A 90 90 LYS CA C 90 58.404 56.138 2.266 1
1 1019 . 17 1 1 A 90 90 LYS CB C 90 33.133 32.987 0.146 1
1 1023 . 17 1 1 A 90 90 LYS N N 90 121.350 120.885 0.465 1
1 1024 . 17 1 1 A 91 91 GLN H H 91 8.252 7.821 0.431 1
1 1025 . 17 1 1 A 91 91 GLN HA H 91 4.423 4.018 0.405 1
1 1032 . 17 1 1 A 91 91 GLN C C 91 175.039 176.898 -1.859 1
1 1033 . 17 1 1 A 91 91 GLN CA C 91 54.303 58.669 -4.366 1
1 1034 . 17 1 1 A 91 91 GLN CB C 91 29.208 29.354 -0.146 1
1 1036 . 17 1 1 A 91 91 GLN N N 91 118.759 121.034 -2.275 1
1 1038 . 17 1 1 A 92 92 GLN H H 92 8.460 7.524 0.936 1
1 1039 . 17 1 1 A 92 92 GLN HA H 92 4.057 4.600 -0.543 1
1 1044 . 17 1 1 A 92 92 GLN C C 92 177.080 175.994 1.086 1
1 1045 . 17 1 1 A 92 92 GLN CA C 92 57.446 57.173 0.273 1
1 1046 . 17 1 1 A 92 92 GLN CB C 92 28.472 30.024 -1.552 1
1 1048 . 17 1 1 A 92 92 GLN N N 92 124.928 117.043 7.885 1
1 1049 . 17 1 1 A 93 93 GLY H H 93 8.870 7.994 0.876 1
1 1050 . 17 1 1 A 93 93 GLY HA2 H 93 3.639 4.058 -0.419 1
1 1051 . 17 1 1 A 93 93 GLY HA3 H 93 4.338 4.061 0.277 1
1 1052 . 17 1 1 A 93 93 GLY C C 93 174.298 173.893 0.405 1
1 1053 . 17 1 1 A 93 93 GLY CA C 93 45.336 45.593 -0.257 1
1 1054 . 17 1 1 A 93 93 GLY N N 93 113.393 106.351 7.042 1
1 1055 . 17 1 1 A 94 94 ASP H H 94 7.546 7.412 0.134 1
1 1056 . 17 1 1 A 94 94 ASP HA H 94 5.056 4.839 0.217 1
1 1059 . 17 1 1 A 94 94 ASP CA C 94 52.662 52.535 0.127 1
1 1060 . 17 1 1 A 94 94 ASP CB C 94 40.179 39.493 0.686 1
1 1061 . 17 1 1 A 94 94 ASP N N 94 123.111 120.369 2.742 1
1 1062 . 17 1 1 A 95 95 PRO HA H 95 4.933 4.740 0.193 1
1 1069 . 17 1 1 A 95 95 PRO CA C 95 61.243 61.438 -0.195 1
1 1070 . 17 1 1 A 95 95 PRO CB C 95 31.234 31.869 -0.635 1
1 1073 . 17 1 1 A 96 96 PRO HA H 96 5.190 5.003 0.187 1
1 1080 . 17 1 1 A 96 96 PRO C C 96 176.664 175.495 1.169 1
1 1081 . 17 1 1 A 96 96 PRO CA C 96 62.399 62.469 -0.070 1
1 1082 . 17 1 1 A 96 96 PRO CB C 96 32.850 33.011 -0.161 1
1 1085 . 17 1 1 A 97 97 VAL H H 97 8.448 8.240 0.208 1
1 1086 . 17 1 1 A 97 97 VAL HA H 97 4.145 4.687 -0.542 1
1 1094 . 17 1 1 A 97 97 VAL C C 97 174.020 174.622 -0.602 1
1 1095 . 17 1 1 A 97 97 VAL CA C 97 61.710 60.583 1.127 1
1 1096 . 17 1 1 A 97 97 VAL CB C 97 33.977 35.845 -1.868 1
1 1099 . 17 1 1 A 97 97 VAL N N 97 121.904 119.640 2.264 1
1 1100 . 17 1 1 A 98 98 GLU H H 98 8.599 8.686 -0.087 1
1 1101 . 17 1 1 A 98 98 GLU HA H 98 4.778 5.264 -0.486 1
1 1106 . 17 1 1 A 98 98 GLU C C 98 173.807 175.498 -1.691 1
1 1107 . 17 1 1 A 98 98 GLU CA C 98 55.674 55.030 0.644 1
1 1108 . 17 1 1 A 98 98 GLU CB C 98 30.827 32.937 -2.110 1
1 1110 . 17 1 1 A 98 98 GLU N N 98 126.577 125.824 0.753 1
1 1111 . 17 1 1 A 99 99 PHE H H 99 8.701 9.343 -0.642 1
1 1112 . 17 1 1 A 99 99 PHE HA H 99 5.773 5.932 -0.159 1
1 1120 . 17 1 1 A 99 99 PHE C C 99 174.648 174.870 -0.222 1
1 1121 . 17 1 1 A 99 99 PHE CA C 99 55.799 57.008 -1.209 1
1 1122 . 17 1 1 A 99 99 PHE CB C 99 44.025 44.362 -0.337 1
1 1128 . 17 1 1 A 99 99 PHE N N 99 120.755 120.671 0.084 1
1 1129 . 17 1 1 A 100 100 ALA H H 100 8.737 8.841 -0.104 1
1 1130 . 17 1 1 A 100 100 ALA HA H 100 5.669 5.221 0.448 1
1 1134 . 17 1 1 A 100 100 ALA C C 100 176.491 176.202 0.289 1
1 1135 . 17 1 1 A 100 100 ALA CA C 100 49.850 51.608 -1.758 1
1 1136 . 17 1 1 A 100 100 ALA CB C 100 23.399 22.982 0.417 1
1 1137 . 17 1 1 A 100 100 ALA N N 100 118.211 122.081 -3.870 1
1 1138 . 17 1 1 A 101 101 THR H H 101 8.272 8.779 -0.507 1
1 1139 . 17 1 1 A 101 101 THR HA H 101 5.232 4.862 0.370 1
1 1144 . 17 1 1 A 101 101 THR C C 101 174.787 173.461 1.326 1
1 1145 . 17 1 1 A 101 101 THR CA C 101 59.068 60.341 -1.273 1
1 1146 . 17 1 1 A 101 101 THR CB C 101 70.089 71.663 -1.574 1
1 1148 . 17 1 1 A 101 101 THR N N 101 108.062 109.453 -1.391 1
1 1149 . 17 1 1 A 102 102 ASP H H 102 8.625 8.676 -0.051 1
1 1150 . 17 1 1 A 102 102 ASP HA H 102 5.009 4.852 0.157 1
1 1153 . 17 1 1 A 102 102 ASP C C 102 177.730 175.419 2.311 1
1 1154 . 17 1 1 A 102 102 ASP CA C 102 56.976 54.094 2.882 1
1 1155 . 17 1 1 A 102 102 ASP CB C 102 42.543 42.633 -0.090 1
1 1156 . 17 1 1 A 102 102 ASP N N 102 118.482 118.054 0.428 1
1 1157 . 17 1 1 A 103 103 ARG H H 103 8.208 7.456 0.752 1
1 1158 . 17 1 1 A 103 103 ARG HA H 103 4.772 4.891 -0.119 1
1 1165 . 17 1 1 A 103 103 ARG C C 103 178.000 175.986 2.014 1
1 1166 . 17 1 1 A 103 103 ARG CA C 103 54.079 54.213 -0.134 1
1 1167 . 17 1 1 A 103 103 ARG CB C 103 33.914 34.695 -0.781 1
1 1170 . 17 1 1 A 103 103 ARG N N 103 116.043 117.918 -1.875 1
1 1171 . 17 1 1 A 104 104 VAL H H 104 8.516 8.513 0.003 1
1 1172 . 17 1 1 A 104 104 VAL HA H 104 2.857 3.672 -0.815 1
1 1180 . 17 1 1 A 104 104 VAL C C 104 176.158 177.739 -1.581 1
1 1181 . 17 1 1 A 104 104 VAL CA C 104 64.625 64.544 0.081 1
1 1182 . 17 1 1 A 104 104 VAL CB C 104 30.883 31.462 -0.579 1
1 1185 . 17 1 1 A 104 104 VAL N N 104 128.496 122.843 5.653 1
1 1186 . 17 1 1 A 105 105 GLU H H 105 9.414 8.127 1.287 1
1 1187 . 17 1 1 A 105 105 GLU HA H 105 3.989 4.087 -0.098 1
1 1192 . 17 1 1 A 105 105 GLU C C 105 179.982 179.644 0.338 1
1 1193 . 17 1 1 A 105 105 GLU CA C 105 60.599 59.599 1.000 1
1 1194 . 17 1 1 A 105 105 GLU CB C 105 27.973 29.508 -1.535 1
1 1196 . 17 1 1 A 105 105 GLU N N 105 121.934 122.552 -0.618 1
1 1197 . 17 1 1 A 106 106 GLU H H 106 6.769 8.243 -1.474 1
1 1198 . 17 1 1 A 106 106 GLU HA H 106 4.370 4.089 0.281 1
1 1203 . 17 1 1 A 106 106 GLU C C 106 178.312 179.224 -0.912 1
1 1204 . 17 1 1 A 106 106 GLU CA C 106 58.503 59.178 -0.675 1
1 1205 . 17 1 1 A 106 106 GLU CB C 106 30.657 29.320 1.337 1
1 1207 . 17 1 1 A 106 106 GLU N N 106 116.721 120.549 -3.828 1
1 1208 . 17 1 1 A 107 107 LEU H H 107 7.161 8.027 -0.866 1
1 1209 . 17 1 1 A 107 107 LEU HA H 107 4.040 4.136 -0.096 1
1 1219 . 17 1 1 A 107 107 LEU C C 107 177.985 178.324 -0.339 1
1 1220 . 17 1 1 A 107 107 LEU CA C 107 58.930 58.133 0.797 1
1 1221 . 17 1 1 A 107 107 LEU CB C 107 40.058 41.995 -1.937 1
1 1225 . 17 1 1 A 107 107 LEU N N 107 122.171 122.527 -0.356 1
1 1226 . 17 1 1 A 108 108 PHE H H 108 7.986 8.334 -0.348 1
1 1227 . 17 1 1 A 108 108 PHE HA H 108 4.199 4.043 0.156 1
1 1234 . 17 1 1 A 108 108 PHE C C 108 178.069 177.826 0.243 1
1 1235 . 17 1 1 A 108 108 PHE CA C 108 61.167 61.025 0.142 1
1 1236 . 17 1 1 A 108 108 PHE CB C 108 38.208 38.512 -0.304 1
1 1241 . 17 1 1 A 108 108 PHE N N 108 116.696 119.215 -2.519 1
1 1242 . 17 1 1 A 109 109 GLU H H 109 7.719 8.547 -0.828 1
1 1243 . 17 1 1 A 109 109 GLU HA H 109 3.951 4.058 -0.107 1
1 1248 . 17 1 1 A 109 109 GLU C C 109 179.858 179.081 0.777 1
1 1249 . 17 1 1 A 109 109 GLU CA C 109 59.664 59.139 0.525 1
1 1250 . 17 1 1 A 109 109 GLU CB C 109 29.923 29.494 0.429 1
1 1252 . 17 1 1 A 109 109 GLU N N 109 119.214 119.575 -0.361 1
1 1253 . 17 1 1 A 110 110 TRP H H 110 8.445 7.938 0.507 1
1 1254 . 17 1 1 A 110 110 TRP HA H 110 3.634 4.265 -0.631 1
1 1263 . 17 1 1 A 110 110 TRP C C 110 177.691 178.814 -1.123 1
1 1264 . 17 1 1 A 110 110 TRP CA C 110 62.078 60.357 1.721 1
1 1265 . 17 1 1 A 110 110 TRP CB C 110 29.275 28.886 0.389 1
1 1271 . 17 1 1 A 110 110 TRP N N 110 120.045 120.763 -0.718 1
1 1273 . 17 1 1 A 111 111 PHE H H 111 8.668 7.839 0.829 1
1 1274 . 17 1 1 A 111 111 PHE HA H 111 3.436 3.841 -0.405 1
1 1282 . 17 1 1 A 111 111 PHE C C 111 176.547 177.743 -1.196 1
1 1283 . 17 1 1 A 111 111 PHE CA C 111 62.182 61.921 0.261 1
1 1284 . 17 1 1 A 111 111 PHE CB C 111 39.904 37.721 2.183 1
1 1290 . 17 1 1 A 111 111 PHE N N 111 117.907 117.729 0.178 1
1 1291 . 17 1 1 A 112 112 GLN H H 112 8.254 7.649 0.605 1
1 1292 . 17 1 1 A 112 112 GLN HA H 112 3.685 3.850 -0.165 1
1 1299 . 17 1 1 A 112 112 GLN C C 112 178.503 178.134 0.369 1
1 1300 . 17 1 1 A 112 112 GLN CA C 112 58.624 58.789 -0.165 1
1 1301 . 17 1 1 A 112 112 GLN CB C 112 27.980 28.115 -0.135 1
1 1303 . 17 1 1 A 112 112 GLN N N 112 116.394 120.147 -3.753 1
1 1305 . 17 1 1 A 113 113 SER H H 113 7.741 7.586 0.155 1
1 1306 . 17 1 1 A 113 113 SER HA H 113 4.036 4.314 -0.278 1
1 1309 . 17 1 1 A 113 113 SER C C 113 176.428 175.842 0.586 1
1 1310 . 17 1 1 A 113 113 SER CA C 113 62.062 62.490 -0.428 1
1 1311 . 17 1 1 A 113 113 SER CB C 113 62.655 62.906 -0.251 1
1 1312 . 17 1 1 A 113 113 SER N N 113 114.734 117.135 -2.401 1
1 1313 . 17 1 1 A 114 114 ILE H H 114 7.915 7.834 0.081 1
1 1314 . 17 1 1 A 114 114 ILE HA H 114 3.559 3.658 -0.099 1
1 1324 . 17 1 1 A 114 114 ILE C C 114 178.594 178.302 0.292 1
1 1325 . 17 1 1 A 114 114 ILE CA C 114 65.364 65.160 0.204 1
1 1326 . 17 1 1 A 114 114 ILE CB C 114 38.395 37.434 0.961 1
1 1330 . 17 1 1 A 114 114 ILE N N 114 119.893 121.138 -1.245 1
1 1331 . 17 1 1 A 115 115 ARG H H 115 8.581 8.086 0.495 1
1 1332 . 17 1 1 A 115 115 ARG HA H 115 3.881 4.140 -0.259 1
1 1339 . 17 1 1 A 115 115 ARG C C 115 177.921 179.020 -1.099 1
1 1340 . 17 1 1 A 115 115 ARG CA C 115 58.689 59.523 -0.834 1
1 1341 . 17 1 1 A 115 115 ARG CB C 115 29.134 29.719 -0.585 1
1 1344 . 17 1 1 A 115 115 ARG N N 115 123.090 120.934 2.156 1
1 1345 . 17 1 1 A 116 116 GLU H H 116 7.653 7.961 -0.308 1
1 1346 . 17 1 1 A 116 116 GLU HA H 116 3.959 4.090 -0.131 1
1 1351 . 17 1 1 A 116 116 GLU C C 116 178.178 177.342 0.836 1
1 1352 . 17 1 1 A 116 116 GLU CA C 116 58.767 58.698 0.069 1
1 1353 . 17 1 1 A 116 116 GLU CB C 116 29.501 29.425 0.076 1
1 1355 . 17 1 1 A 116 116 GLU N N 116 116.356 118.612 -2.256 1
1 1356 . 17 1 1 A 117 117 ILE H H 117 7.334 7.135 0.199 1
1 1357 . 17 1 1 A 117 117 ILE HA H 117 3.909 3.980 -0.071 1
1 1367 . 17 1 1 A 117 117 ILE C C 117 177.733 177.666 0.067 1
1 1368 . 17 1 1 A 117 117 ILE CA C 117 63.443 62.875 0.568 1
1 1369 . 17 1 1 A 117 117 ILE CB C 117 39.059 39.257 -0.198 1
1 1373 . 17 1 1 A 117 117 ILE N N 117 117.514 118.458 -0.944 1
1 1374 . 17 1 1 A 118 118 THR H H 118 8.075 7.430 0.645 1
1 1375 . 17 1 1 A 118 118 THR HA H 118 4.367 4.516 -0.149 1
1 1380 . 17 1 1 A 118 118 THR C C 118 176.050 175.989 0.061 1
1 1381 . 17 1 1 A 118 118 THR CA C 118 63.494 63.059 0.435 1
1 1382 . 17 1 1 A 118 118 THR CB C 118 70.326 69.824 0.502 1
1 1384 . 17 1 1 A 118 118 THR N N 118 109.879 112.049 -2.170 1
1 1385 . 17 1 1 A 119 119 TRP H H 119 8.283 8.273 0.010 1
1 1386 . 17 1 1 A 119 119 TRP HA H 119 4.792 4.208 0.584 1
1 1395 . 17 1 1 A 119 119 TRP C C 119 175.855 176.643 -0.788 1
1 1396 . 17 1 1 A 119 119 TRP CA C 119 57.464 60.217 -2.753 1
1 1397 . 17 1 1 A 119 119 TRP CB C 119 29.488 29.879 -0.391 1
1 1403 . 17 1 1 A 119 119 TRP N N 119 124.034 124.092 -0.058 1
1 1405 . 17 1 1 A 120 120 LYS H H 120 7.723 7.802 -0.079 1
1 1406 . 17 1 1 A 120 120 LYS HA H 120 4.198 3.982 0.216 1
1 1415 . 17 1 1 A 120 120 LYS C C 120 176.162 176.549 -0.387 1
1 1416 . 17 1 1 A 120 120 LYS CA C 120 56.049 55.739 0.310 1
1 1417 . 17 1 1 A 120 120 LYS CB C 120 32.924 33.562 -0.638 1
1 1421 . 17 1 1 A 120 120 LYS N N 120 123.166 119.433 3.733 1
1 1422 . 17 1 1 A 121 121 ILE H H 121 7.874 8.653 -0.779 1
1 1423 . 17 1 1 A 121 121 ILE HA H 121 4.035 3.877 0.158 1
1 1433 . 17 1 1 A 121 121 ILE C C 121 175.950 174.918 1.032 1
1 1434 . 17 1 1 A 121 121 ILE CA C 121 61.120 61.671 -0.551 1
1 1435 . 17 1 1 A 121 121 ILE CB C 121 38.708 37.223 1.485 1
1 1439 . 17 1 1 A 121 121 ILE N N 121 121.301 120.320 0.981 1
1 1440 . 17 1 1 A 122 122 ASP H H 122 8.317 8.628 -0.311 1
1 1441 . 17 1 1 A 122 122 ASP HA H 122 4.677 4.817 -0.140 1
1 1444 . 17 1 1 A 122 122 ASP C C 122 176.278 177.538 -1.260 1
1 1445 . 17 1 1 A 122 122 ASP CA C 122 54.157 53.242 0.915 1
1 1446 . 17 1 1 A 122 122 ASP CB C 122 41.316 42.054 -0.738 1
1 1447 . 17 1 1 A 122 122 ASP N N 122 124.058 127.655 -3.597 1
1 1448 . 17 1 1 A 123 123 THR H H 123 8.003 8.524 -0.521 1
1 1449 . 17 1 1 A 123 123 THR HA H 123 4.307 4.166 0.141 1
1 1454 . 17 1 1 A 123 123 THR C C 123 173.831 176.389 -2.558 1
1 1455 . 17 1 1 A 123 123 THR CA C 123 61.715 63.935 -2.220 1
1 1456 . 17 1 1 A 123 123 THR CB C 123 69.736 69.137 0.599 1
1 1458 . 17 1 1 A 123 123 THR N N 123 114.853 117.576 -2.723 1
1 2 . 18 1 1 A 9 9 LYS H H 9 8.338 7.965 0.373 1
1 3 . 18 1 1 A 9 9 LYS C C 9 176.402 175.585 0.817 1
1 4 . 18 1 1 A 9 9 LYS N N 9 122.857 117.156 5.701 1
1 5 . 18 1 1 A 10 10 ASP H H 10 8.335 8.214 0.121 1
1 6 . 18 1 1 A 10 10 ASP HA H 10 4.562 4.274 0.288 1
1 9 . 18 1 1 A 10 10 ASP C C 10 176.123 175.143 0.980 1
1 10 . 18 1 1 A 10 10 ASP CA C 10 54.344 54.855 -0.511 1
1 11 . 18 1 1 A 10 10 ASP CB C 10 41.227 39.894 1.333 1
1 12 . 18 1 1 A 10 10 ASP N N 10 121.507 118.885 2.622 1
1 13 . 18 1 1 A 11 11 GLU H H 11 8.231 8.581 -0.350 1
1 14 . 18 1 1 A 11 11 GLU HA H 11 4.222 4.156 0.066 1
1 19 . 18 1 1 A 11 11 GLU CA C 11 56.356 58.610 -2.254 1
1 20 . 18 1 1 A 11 11 GLU CB C 11 30.439 28.378 2.061 1
1 22 . 18 1 1 A 11 11 GLU N N 11 121.321 119.898 1.423 1
1 23 . 18 1 1 A 12 12 HIS H H 12 8.431 8.177 0.254 1
1 24 . 18 1 1 A 12 12 HIS HA H 12 4.618 5.375 -0.757 1
1 28 . 18 1 1 A 12 12 HIS C C 12 174.980 172.149 2.831 1
1 29 . 18 1 1 A 12 12 HIS CA C 12 55.952 53.787 2.165 1
1 30 . 18 1 1 A 12 12 HIS CB C 12 30.058 32.888 -2.830 1
1 32 . 18 1 1 A 12 12 HIS N N 12 120.447 115.487 4.960 1
1 33 . 18 1 1 A 13 13 LYS H H 13 8.191 9.006 -0.815 1
1 34 . 18 1 1 A 13 13 LYS HA H 13 4.355 4.462 -0.107 1
1 43 . 18 1 1 A 13 13 LYS C C 13 175.327 175.012 0.315 1
1 44 . 18 1 1 A 13 13 LYS CA C 13 55.620 55.425 0.195 1
1 45 . 18 1 1 A 13 13 LYS CB C 13 33.729 33.559 0.170 1
1 49 . 18 1 1 A 13 13 LYS N N 13 124.365 121.463 2.902 1
1 50 . 18 1 1 A 14 14 GLN H H 14 8.229 8.764 -0.535 1
1 51 . 18 1 1 A 14 14 GLN HA H 14 4.037 4.782 -0.745 1
1 58 . 18 1 1 A 14 14 GLN C C 14 173.432 174.757 -1.325 1
1 59 . 18 1 1 A 14 14 GLN CA C 14 54.613 54.365 0.248 1
1 60 . 18 1 1 A 14 14 GLN CB C 14 29.096 30.024 -0.928 1
1 62 . 18 1 1 A 14 14 GLN N N 14 123.823 127.913 -4.090 1
1 64 . 18 1 1 A 15 15 GLN H H 15 7.896 8.571 -0.675 1
1 65 . 18 1 1 A 15 15 GLN HA H 15 5.459 5.217 0.242 1
1 70 . 18 1 1 A 15 15 GLN C C 15 174.263 175.380 -1.117 1
1 71 . 18 1 1 A 15 15 GLN CA C 15 54.506 54.387 0.119 1
1 72 . 18 1 1 A 15 15 GLN CB C 15 31.418 33.024 -1.606 1
1 74 . 18 1 1 A 15 15 GLN N N 15 121.452 125.669 -4.217 1
1 75 . 18 1 1 A 16 16 GLY H H 16 8.795 8.295 0.500 1
1 76 . 18 1 1 A 16 16 GLY HA2 H 16 4.056 4.304 -0.248 1
1 77 . 18 1 1 A 16 16 GLY HA3 H 16 4.801 4.520 0.281 1
1 78 . 18 1 1 A 16 16 GLY C C 16 171.456 171.669 -0.213 1
1 79 . 18 1 1 A 16 16 GLY CA C 16 44.773 46.407 -1.634 1
1 80 . 18 1 1 A 16 16 GLY N N 16 107.937 109.154 -1.217 1
1 81 . 18 1 1 A 17 17 GLU H H 17 8.718 8.602 0.116 1
1 82 . 18 1 1 A 17 17 GLU HA H 17 5.220 5.095 0.125 1
1 87 . 18 1 1 A 17 17 GLU C C 17 176.562 174.676 1.886 1
1 88 . 18 1 1 A 17 17 GLU CA C 17 55.880 54.572 1.308 1
1 89 . 18 1 1 A 17 17 GLU CB C 17 30.995 33.922 -2.927 1
1 91 . 18 1 1 A 17 17 GLU N N 17 119.686 121.435 -1.749 1
1 92 . 18 1 1 A 18 18 LEU H H 18 8.806 8.614 0.192 1
1 93 . 18 1 1 A 18 18 LEU HA H 18 4.652 4.612 0.040 1
1 103 . 18 1 1 A 18 18 LEU C C 18 176.851 174.367 2.484 1
1 104 . 18 1 1 A 18 18 LEU CA C 18 53.786 53.025 0.761 1
1 105 . 18 1 1 A 18 18 LEU CB C 18 47.961 45.348 2.613 1
1 109 . 18 1 1 A 18 18 LEU N N 18 122.158 123.392 -1.234 1
1 110 . 18 1 1 A 19 19 TYR H H 19 8.833 8.124 0.709 1
1 111 . 18 1 1 A 19 19 TYR HA H 19 5.837 5.392 0.445 1
1 118 . 18 1 1 A 19 19 TYR C C 19 176.038 175.433 0.605 1
1 119 . 18 1 1 A 19 19 TYR CA C 19 56.750 56.716 0.034 1
1 120 . 18 1 1 A 19 19 TYR CB C 19 40.531 41.788 -1.257 1
1 125 . 18 1 1 A 19 19 TYR N N 19 117.278 120.420 -3.142 1
1 126 . 18 1 1 A 20 20 MET H H 20 9.743 8.912 0.831 1
1 127 . 18 1 1 A 20 20 MET HA H 20 5.207 5.139 0.068 1
1 135 . 18 1 1 A 20 20 MET C C 20 175.349 174.905 0.444 1
1 136 . 18 1 1 A 20 20 MET CA C 20 54.611 54.422 0.189 1
1 137 . 18 1 1 A 20 20 MET CB C 20 37.352 36.658 0.694 1
1 140 . 18 1 1 A 20 20 MET N N 20 120.128 120.168 -0.040 1
1 141 . 18 1 1 A 21 21 TRP H H 21 8.142 8.346 -0.204 1
1 142 . 18 1 1 A 21 21 TRP HA H 21 4.084 3.681 0.403 1
1 150 . 18 1 1 A 21 21 TRP C C 21 174.752 174.427 0.325 1
1 151 . 18 1 1 A 21 21 TRP CA C 21 56.246 57.874 -1.628 1
1 152 . 18 1 1 A 21 21 TRP CB C 21 29.682 29.642 0.040 1
1 157 . 18 1 1 A 21 21 TRP N N 21 126.799 125.560 1.239 1
1 159 . 18 1 1 A 22 22 ASP H H 22 8.034 7.711 0.323 1
1 160 . 18 1 1 A 22 22 ASP HA H 22 4.417 4.573 -0.156 1
1 163 . 18 1 1 A 22 22 ASP C C 22 175.814 175.857 -0.043 1
1 164 . 18 1 1 A 22 22 ASP CA C 22 52.020 52.643 -0.623 1
1 165 . 18 1 1 A 22 22 ASP CB C 22 41.748 41.255 0.493 1
1 166 . 18 1 1 A 22 22 ASP N N 22 129.313 126.984 2.329 1
1 167 . 18 1 1 A 23 23 SER H H 23 8.331 8.419 -0.088 1
1 168 . 18 1 1 A 23 23 SER HA H 23 3.719 3.867 -0.148 1
1 171 . 18 1 1 A 23 23 SER C C 23 175.145 175.730 -0.585 1
1 172 . 18 1 1 A 23 23 SER CA C 23 59.732 60.214 -0.482 1
1 173 . 18 1 1 A 23 23 SER CB C 23 63.304 62.862 0.442 1
1 174 . 18 1 1 A 23 23 SER N N 23 119.796 118.506 1.290 1
1 175 . 18 1 1 A 24 24 ILE H H 24 8.044 7.545 0.499 1
1 176 . 18 1 1 A 24 24 ILE HA H 24 3.849 3.805 0.044 1
1 186 . 18 1 1 A 24 24 ILE C C 24 177.615 177.061 0.554 1
1 187 . 18 1 1 A 24 24 ILE CA C 24 63.257 64.285 -1.028 1
1 188 . 18 1 1 A 24 24 ILE CB C 24 36.400 38.590 -2.190 1
1 192 . 18 1 1 A 24 24 ILE N N 24 124.085 121.557 2.528 1
1 193 . 18 1 1 A 25 25 ASP H H 25 7.641 7.554 0.087 1
1 194 . 18 1 1 A 25 25 ASP HA H 25 4.492 4.698 -0.206 1
1 197 . 18 1 1 A 25 25 ASP C C 25 175.486 175.071 0.415 1
1 198 . 18 1 1 A 25 25 ASP CA C 25 54.313 53.041 1.272 1
1 199 . 18 1 1 A 25 25 ASP CB C 25 40.789 41.852 -1.063 1
1 200 . 18 1 1 A 25 25 ASP N N 25 118.371 118.658 -0.287 1
1 201 . 18 1 1 A 26 26 GLN H H 26 7.340 7.538 -0.198 1
1 202 . 18 1 1 A 26 26 GLN HA H 26 2.828 3.401 -0.573 1
1 209 . 18 1 1 A 26 26 GLN C C 26 173.882 174.551 -0.669 1
1 210 . 18 1 1 A 26 26 GLN CA C 26 55.956 56.580 -0.624 1
1 211 . 18 1 1 A 26 26 GLN CB C 26 25.070 26.753 -1.683 1
1 213 . 18 1 1 A 26 26 GLN N N 26 116.358 116.052 0.306 1
1 215 . 18 1 1 A 27 27 LYS H H 27 6.283 6.606 -0.323 1
1 216 . 18 1 1 A 27 27 LYS HA H 27 4.395 4.873 -0.478 1
1 225 . 18 1 1 A 27 27 LYS C C 27 173.510 174.115 -0.605 1
1 226 . 18 1 1 A 27 27 LYS CA C 27 54.164 55.064 -0.900 1
1 227 . 18 1 1 A 27 27 LYS CB C 27 35.825 34.419 1.406 1
1 231 . 18 1 1 A 27 27 LYS N N 27 114.611 113.791 0.820 1
1 232 . 18 1 1 A 28 28 TRP H H 28 8.751 8.684 0.067 1
1 233 . 18 1 1 A 28 28 TRP HA H 28 5.383 5.569 -0.186 1
1 242 . 18 1 1 A 28 28 TRP C C 28 177.411 176.343 1.068 1
1 243 . 18 1 1 A 28 28 TRP CA C 28 55.957 55.269 0.688 1
1 244 . 18 1 1 A 28 28 TRP CB C 28 30.752 31.289 -0.537 1
1 250 . 18 1 1 A 28 28 TRP N N 28 121.520 119.302 2.218 1
1 252 . 18 1 1 A 29 29 THR H H 29 9.413 8.912 0.501 1
1 253 . 18 1 1 A 29 29 THR HA H 29 4.852 5.128 -0.276 1
1 258 . 18 1 1 A 29 29 THR C C 29 173.520 172.718 0.802 1
1 259 . 18 1 1 A 29 29 THR CA C 29 60.308 59.666 0.642 1
1 260 . 18 1 1 A 29 29 THR CB C 29 69.736 71.722 -1.986 1
1 262 . 18 1 1 A 29 29 THR N N 29 117.059 113.987 3.072 1
1 263 . 18 1 1 A 30 30 ARG H H 30 9.117 8.750 0.367 1
1 264 . 18 1 1 A 30 30 ARG HA H 30 4.790 4.389 0.401 1
1 272 . 18 1 1 A 30 30 ARG C C 30 174.447 175.136 -0.689 1
1 273 . 18 1 1 A 30 30 ARG CA C 30 55.949 55.056 0.893 1
1 274 . 18 1 1 A 30 30 ARG CB C 30 33.388 31.370 2.018 1
1 277 . 18 1 1 A 30 30 ARG N N 30 126.027 122.340 3.687 1
1 278 . 18 1 1 A 31 31 HIS H H 31 9.011 8.911 0.100 1
1 279 . 18 1 1 A 31 31 HIS HA H 31 4.636 5.236 -0.600 1
1 282 . 18 1 1 A 31 31 HIS C C 31 173.947 173.843 0.104 1
1 283 . 18 1 1 A 31 31 HIS CA C 31 55.185 53.521 1.664 1
1 284 . 18 1 1 A 31 31 HIS CB C 31 33.332 33.183 0.149 1
1 285 . 18 1 1 A 31 31 HIS N N 31 121.017 125.007 -3.990 1
1 286 . 18 1 1 A 32 32 TYR H H 32 9.361 9.024 0.337 1
1 287 . 18 1 1 A 32 32 TYR HA H 32 4.745 4.625 0.120 1
1 294 . 18 1 1 A 32 32 TYR C C 32 176.298 174.914 1.384 1
1 295 . 18 1 1 A 32 32 TYR CA C 32 59.316 57.005 2.311 1
1 296 . 18 1 1 A 32 32 TYR CB C 32 39.341 38.630 0.711 1
1 301 . 18 1 1 A 32 32 TYR N N 32 124.440 125.027 -0.587 1
1 302 . 18 1 1 A 33 33 CYS H H 33 8.750 8.522 0.228 1
1 303 . 18 1 1 A 33 33 CYS HA H 33 5.857 5.363 0.494 1
1 306 . 18 1 1 A 33 33 CYS C C 33 172.735 173.840 -1.105 1
1 307 . 18 1 1 A 33 33 CYS CA C 33 57.108 57.389 -0.281 1
1 308 . 18 1 1 A 33 33 CYS CB C 33 32.779 29.663 3.116 1
1 309 . 18 1 1 A 33 33 CYS N N 33 127.462 126.486 0.976 1
1 310 . 18 1 1 A 34 34 ALA H H 34 8.565 8.633 -0.068 1
1 311 . 18 1 1 A 34 34 ALA HA H 34 5.290 4.937 0.353 1
1 315 . 18 1 1 A 34 34 ALA C C 34 176.215 175.696 0.519 1
1 316 . 18 1 1 A 34 34 ALA CA C 34 51.773 51.991 -0.218 1
1 317 . 18 1 1 A 34 34 ALA CB C 34 23.139 21.616 1.523 1
1 318 . 18 1 1 A 34 34 ALA N N 34 121.115 122.791 -1.676 1
1 319 . 18 1 1 A 35 35 ILE H H 35 8.413 8.778 -0.365 1
1 320 . 18 1 1 A 35 35 ILE HA H 35 5.275 5.093 0.182 1
1 330 . 18 1 1 A 35 35 ILE C C 35 175.768 175.218 0.550 1
1 331 . 18 1 1 A 35 35 ILE CA C 35 60.105 60.544 -0.439 1
1 332 . 18 1 1 A 35 35 ILE CB C 35 39.737 38.283 1.454 1
1 336 . 18 1 1 A 35 35 ILE N N 35 120.176 124.018 -3.842 1
1 337 . 18 1 1 A 36 36 ALA H H 36 8.666 8.731 -0.065 1
1 338 . 18 1 1 A 36 36 ALA HA H 36 4.581 4.604 -0.023 1
1 342 . 18 1 1 A 36 36 ALA CA C 36 52.028 51.522 0.506 1
1 343 . 18 1 1 A 36 36 ALA CB C 36 21.365 22.109 -0.744 1
1 344 . 18 1 1 A 36 36 ALA N N 36 129.732 128.832 0.900 1
1 345 . 18 1 1 A 37 37 ASP H H 37 9.379 9.375 0.004 1
1 346 . 18 1 1 A 37 37 ASP HA H 37 4.228 4.293 -0.065 1
1 349 . 18 1 1 A 37 37 ASP C C 37 174.579 175.310 -0.731 1
1 350 . 18 1 1 A 37 37 ASP CA C 37 55.822 55.606 0.216 1
1 351 . 18 1 1 A 37 37 ASP CB C 37 39.784 39.175 0.609 1
1 352 . 18 1 1 A 37 37 ASP N N 37 124.926 124.210 0.716 1
1 353 . 18 1 1 A 38 38 ALA H H 38 8.710 8.315 0.395 1
1 354 . 18 1 1 A 38 38 ALA HA H 38 3.911 3.872 0.039 1
1 358 . 18 1 1 A 38 38 ALA C C 38 174.866 176.187 -1.321 1
1 359 . 18 1 1 A 38 38 ALA CA C 38 53.040 53.701 -0.661 1
1 360 . 18 1 1 A 38 38 ALA CB C 38 17.654 18.201 -0.547 1
1 361 . 18 1 1 A 38 38 ALA N N 38 115.547 113.517 2.030 1
1 362 . 18 1 1 A 39 39 LYS H H 39 8.054 7.468 0.586 1
1 363 . 18 1 1 A 39 39 LYS HA H 39 5.247 5.108 0.139 1
1 372 . 18 1 1 A 39 39 LYS C C 39 175.201 174.658 0.543 1
1 373 . 18 1 1 A 39 39 LYS CA C 39 54.583 54.529 0.054 1
1 374 . 18 1 1 A 39 39 LYS CB C 39 34.824 36.110 -1.286 1
1 378 . 18 1 1 A 39 39 LYS N N 39 117.589 116.581 1.008 1
1 379 . 18 1 1 A 40 40 LEU H H 40 9.090 8.691 0.399 1
1 380 . 18 1 1 A 40 40 LEU HA H 40 5.353 5.106 0.247 1
1 390 . 18 1 1 A 40 40 LEU C C 40 175.382 174.980 0.402 1
1 391 . 18 1 1 A 40 40 LEU CA C 40 53.987 53.939 0.048 1
1 392 . 18 1 1 A 40 40 LEU CB C 40 45.718 45.684 0.034 1
1 396 . 18 1 1 A 40 40 LEU N N 40 126.300 124.361 1.939 1
1 397 . 18 1 1 A 41 41 SER H H 41 9.539 9.031 0.508 1
1 398 . 18 1 1 A 41 41 SER HA H 41 5.493 5.790 -0.297 1
1 401 . 18 1 1 A 41 41 SER C C 41 173.435 173.849 -0.414 1
1 402 . 18 1 1 A 41 41 SER CA C 41 56.816 56.861 -0.045 1
1 403 . 18 1 1 A 41 41 SER CB C 41 65.706 64.768 0.938 1
1 404 . 18 1 1 A 41 41 SER N N 41 123.399 121.880 1.519 1
1 405 . 18 1 1 A 42 42 PHE H H 42 8.344 8.556 -0.212 1
1 406 . 18 1 1 A 42 42 PHE HA H 42 5.888 5.554 0.334 1
1 414 . 18 1 1 A 42 42 PHE C C 42 175.198 175.022 0.176 1
1 415 . 18 1 1 A 42 42 PHE CA C 42 54.335 55.419 -1.084 1
1 416 . 18 1 1 A 42 42 PHE CB C 42 43.360 41.627 1.733 1
1 422 . 18 1 1 A 42 42 PHE N N 42 117.935 120.133 -2.198 1
1 423 . 18 1 1 A 43 43 SER H H 43 8.843 8.778 0.065 1
1 424 . 18 1 1 A 43 43 SER HA H 43 4.918 5.077 -0.159 1
1 427 . 18 1 1 A 43 43 SER C C 43 175.040 173.583 1.457 1
1 428 . 18 1 1 A 43 43 SER CA C 43 58.215 57.499 0.716 1
1 429 . 18 1 1 A 43 43 SER CB C 43 66.789 64.572 2.217 1
1 430 . 18 1 1 A 43 43 SER N N 43 117.280 118.695 -1.415 1
1 431 . 18 1 1 A 44 44 ASP H H 44 8.818 8.360 0.458 1
1 432 . 18 1 1 A 44 44 ASP HA H 44 4.909 4.285 0.624 1
1 435 . 18 1 1 A 44 44 ASP C C 44 175.955 175.335 0.620 1
1 436 . 18 1 1 A 44 44 ASP CA C 44 54.815 53.819 0.996 1
1 437 . 18 1 1 A 44 44 ASP CB C 44 41.729 41.031 0.698 1
1 438 . 18 1 1 A 44 44 ASP N N 44 120.846 122.793 -1.947 1
1 439 . 18 1 1 A 45 45 ASP H H 45 8.726 8.500 0.226 1
1 440 . 18 1 1 A 45 45 ASP HA H 45 4.273 4.599 -0.326 1
1 443 . 18 1 1 A 45 45 ASP C C 45 177.889 177.617 0.272 1
1 444 . 18 1 1 A 45 45 ASP CA C 45 54.145 54.914 -0.769 1
1 445 . 18 1 1 A 45 45 ASP CB C 45 41.329 41.043 0.286 1
1 446 . 18 1 1 A 45 45 ASP N N 45 120.848 120.467 0.381 1
1 447 . 18 1 1 A 46 46 ILE H H 46 8.369 8.088 0.281 1
1 448 . 18 1 1 A 46 46 ILE HA H 46 4.079 4.214 -0.135 1
1 458 . 18 1 1 A 46 46 ILE C C 46 177.339 178.123 -0.784 1
1 459 . 18 1 1 A 46 46 ILE CA C 46 62.357 63.059 -0.702 1
1 460 . 18 1 1 A 46 46 ILE CB C 46 38.708 38.632 0.076 1
1 464 . 18 1 1 A 46 46 ILE N N 46 123.832 121.187 2.645 1
1 465 . 18 1 1 A 47 47 GLU H H 47 8.577 8.190 0.387 1
1 466 . 18 1 1 A 47 47 GLU HA H 47 4.258 4.366 -0.108 1
1 471 . 18 1 1 A 47 47 GLU C C 47 177.164 178.476 -1.312 1
1 472 . 18 1 1 A 47 47 GLU CA C 47 57.249 58.703 -1.454 1
1 473 . 18 1 1 A 47 47 GLU CB C 47 29.900 30.642 -0.742 1
1 475 . 18 1 1 A 47 47 GLU N N 47 122.294 120.902 1.392 1
1 476 . 18 1 1 A 48 48 GLN H H 48 7.894 7.948 -0.054 1
1 477 . 18 1 1 A 48 48 GLN HA H 48 4.365 4.282 0.083 1
1 484 . 18 1 1 A 48 48 GLN C C 48 176.278 176.774 -0.496 1
1 485 . 18 1 1 A 48 48 GLN CA C 48 55.830 57.538 -1.708 1
1 486 . 18 1 1 A 48 48 GLN CB C 48 29.383 29.208 0.175 1
1 488 . 18 1 1 A 48 48 GLN N N 48 118.968 116.572 2.396 1
1 490 . 18 1 1 A 49 49 THR H H 49 8.048 8.038 0.010 1
1 491 . 18 1 1 A 49 49 THR HA H 49 4.331 4.246 0.085 1
1 496 . 18 1 1 A 49 49 THR C C 49 174.784 173.367 1.417 1
1 497 . 18 1 1 A 49 49 THR CA C 49 62.135 62.827 -0.692 1
1 498 . 18 1 1 A 49 49 THR CB C 49 69.736 66.424 3.312 1
1 500 . 18 1 1 A 49 49 THR N N 49 114.601 113.185 1.416 1
1 501 . 18 1 1 A 50 50 MET H H 50 8.409 8.908 -0.499 1
1 502 . 18 1 1 A 50 50 MET HA H 50 4.510 5.115 -0.605 1
1 510 . 18 1 1 A 50 50 MET C C 50 176.451 175.478 0.973 1
1 511 . 18 1 1 A 50 50 MET CA C 50 55.601 53.630 1.971 1
1 512 . 18 1 1 A 50 50 MET CB C 50 32.850 33.386 -0.536 1
1 515 . 18 1 1 A 50 50 MET N N 50 122.660 124.390 -1.730 1
1 516 . 18 1 1 A 51 51 GLU H H 51 8.418 8.436 -0.018 1
1 517 . 18 1 1 A 51 51 GLU HA H 51 4.272 4.857 -0.585 1
1 522 . 18 1 1 A 51 51 GLU C C 51 176.777 176.571 0.206 1
1 523 . 18 1 1 A 51 51 GLU CA C 51 56.680 55.054 1.626 1
1 524 . 18 1 1 A 51 51 GLU CB C 51 30.262 31.173 -0.911 1
1 526 . 18 1 1 A 51 51 GLU N N 51 121.650 124.310 -2.660 1
1 527 . 18 1 1 A 52 52 GLU H H 52 8.325 8.891 -0.566 1
1 528 . 18 1 1 A 52 52 GLU HA H 52 4.174 4.081 0.093 1
1 533 . 18 1 1 A 52 52 GLU C C 52 176.178 177.072 -0.894 1
1 534 . 18 1 1 A 52 52 GLU N N 52 120.869 125.524 -4.655 1
1 535 . 18 1 1 A 53 53 ASP H H 53 8.320 7.779 0.541 1
1 536 . 18 1 1 A 53 53 ASP HA H 53 4.527 4.743 -0.216 1
1 539 . 18 1 1 A 53 53 ASP C C 53 175.650 175.684 -0.034 1
1 540 . 18 1 1 A 53 53 ASP CA C 53 54.322 52.723 1.599 1
1 541 . 18 1 1 A 53 53 ASP CB C 53 41.040 40.186 0.854 1
1 542 . 18 1 1 A 53 53 ASP N N 53 119.656 113.687 5.969 1
1 543 . 18 1 1 A 54 54 ASN H H 54 8.134 8.103 0.031 1
1 544 . 18 1 1 A 54 54 ASN HA H 54 4.970 4.379 0.591 1
1 549 . 18 1 1 A 54 54 ASN CA C 54 51.120 53.876 -2.756 1
1 550 . 18 1 1 A 54 54 ASN CB C 54 39.125 36.958 2.167 1
1 551 . 18 1 1 A 54 54 ASN N N 54 118.436 113.639 4.797 1
1 553 . 18 1 1 A 55 55 PRO HA H 55 4.394 4.403 -0.009 1
1 560 . 18 1 1 A 55 55 PRO C C 55 177.514 177.240 0.274 1
1 561 . 18 1 1 A 55 55 PRO CA C 55 63.910 65.209 -1.299 1
1 562 . 18 1 1 A 55 55 PRO CB C 55 32.077 31.663 0.414 1
1 565 . 18 1 1 A 56 56 LEU H H 56 8.181 7.632 0.549 1
1 566 . 18 1 1 A 56 56 LEU HA H 56 4.268 4.595 -0.327 1
1 576 . 18 1 1 A 56 56 LEU C C 56 178.176 175.150 3.026 1
1 577 . 18 1 1 A 56 56 LEU CA C 56 55.542 54.049 1.493 1
1 578 . 18 1 1 A 56 56 LEU CB C 56 41.783 43.845 -2.062 1
1 582 . 18 1 1 A 56 56 LEU N N 56 120.122 116.806 3.316 1
1 583 . 18 1 1 A 57 57 GLY H H 57 8.071 9.184 -1.113 1
1 584 . 18 1 1 A 57 57 GLY HA2 H 57 3.946 3.860 0.086 1
1 585 . 18 1 1 A 57 57 GLY HA3 H 57 3.946 3.863 0.083 1
1 586 . 18 1 1 A 57 57 GLY C C 57 174.306 174.291 0.015 1
1 587 . 18 1 1 A 57 57 GLY CA C 57 45.460 46.725 -1.265 1
1 588 . 18 1 1 A 57 57 GLY N N 57 108.437 115.404 -6.967 1
1 589 . 18 1 1 A 58 58 SER H H 58 8.170 8.042 0.128 1
1 590 . 18 1 1 A 58 58 SER HA H 58 4.460 4.424 0.036 1
1 593 . 18 1 1 A 58 58 SER C C 58 174.785 175.193 -0.408 1
1 594 . 18 1 1 A 58 58 SER CA C 58 58.319 58.083 0.236 1
1 595 . 18 1 1 A 58 58 SER CB C 58 63.792 65.208 -1.416 1
1 596 . 18 1 1 A 58 58 SER N N 58 115.478 114.336 1.142 1
1 597 . 18 1 1 A 59 59 LEU H H 59 8.278 8.549 -0.271 1
1 598 . 18 1 1 A 59 59 LEU HA H 59 4.384 4.249 0.135 1
1 608 . 18 1 1 A 59 59 LEU CA C 59 55.219 57.249 -2.030 1
1 609 . 18 1 1 A 59 59 LEU CB C 59 42.377 42.777 -0.400 1
1 613 . 18 1 1 A 59 59 LEU N N 59 124.033 123.745 0.288 1
1 614 . 18 1 1 A 60 60 CYS H H 60 8.331 7.794 0.537 1
1 615 . 18 1 1 A 60 60 CYS HA H 60 4.398 4.239 0.159 1
1 618 . 18 1 1 A 60 60 CYS C C 60 174.142 174.822 -0.680 1
1 619 . 18 1 1 A 60 60 CYS CA C 60 58.505 59.387 -0.882 1
1 620 . 18 1 1 A 60 60 CYS CB C 60 27.338 27.319 0.019 1
1 621 . 18 1 1 A 60 60 CYS N N 60 120.390 115.649 4.741 1
1 622 . 18 1 1 A 61 61 ARG H H 61 8.632 8.652 -0.020 1
1 623 . 18 1 1 A 61 61 ARG HA H 61 4.337 4.119 0.218 1
1 630 . 18 1 1 A 61 61 ARG C C 61 176.096 175.756 0.340 1
1 631 . 18 1 1 A 61 61 ARG CA C 61 56.003 56.543 -0.540 1
1 632 . 18 1 1 A 61 61 ARG CB C 61 30.757 31.598 -0.841 1
1 635 . 18 1 1 A 61 61 ARG N N 61 125.869 126.253 -0.384 1
1 636 . 18 1 1 A 62 62 GLY H H 62 7.263 6.841 0.422 1
1 637 . 18 1 1 A 62 62 GLY HA2 H 62 3.008 3.527 -0.519 1
1 638 . 18 1 1 A 62 62 GLY HA3 H 62 3.875 3.845 0.030 1
1 639 . 18 1 1 A 62 62 GLY C C 62 170.609 171.191 -0.582 1
1 640 . 18 1 1 A 62 62 GLY CA C 62 44.808 45.099 -0.291 1
1 641 . 18 1 1 A 62 62 GLY N N 62 107.908 106.086 1.822 1
1 642 . 18 1 1 A 63 63 ILE H H 63 7.895 8.285 -0.390 1
1 643 . 18 1 1 A 63 63 ILE HA H 63 4.843 5.287 -0.444 1
1 653 . 18 1 1 A 63 63 ILE C C 63 175.450 174.824 0.626 1
1 654 . 18 1 1 A 63 63 ILE CA C 63 60.322 59.468 0.854 1
1 655 . 18 1 1 A 63 63 ILE CB C 63 41.957 42.316 -0.359 1
1 659 . 18 1 1 A 63 63 ILE N N 63 117.987 120.771 -2.784 1
1 660 . 18 1 1 A 64 64 LEU H H 64 9.429 9.243 0.186 1
1 661 . 18 1 1 A 64 64 LEU HA H 64 4.916 4.783 0.133 1
1 671 . 18 1 1 A 64 64 LEU C C 64 176.136 176.432 -0.296 1
1 672 . 18 1 1 A 64 64 LEU CA C 64 53.059 53.843 -0.784 1
1 673 . 18 1 1 A 64 64 LEU CB C 64 43.788 42.041 1.747 1
1 677 . 18 1 1 A 64 64 LEU N N 64 127.063 126.699 0.364 1
1 678 . 18 1 1 A 65 65 ASP H H 65 9.241 9.153 0.088 1
1 679 . 18 1 1 A 65 65 ASP HA H 65 4.818 4.335 0.483 1
1 682 . 18 1 1 A 65 65 ASP C C 65 177.925 176.486 1.439 1
1 683 . 18 1 1 A 65 65 ASP CA C 65 53.628 57.181 -3.553 1
1 684 . 18 1 1 A 65 65 ASP CB C 65 40.307 40.467 -0.160 1
1 685 . 18 1 1 A 65 65 ASP N N 65 122.728 125.644 -2.916 1
1 686 . 18 1 1 A 66 66 LEU H H 66 8.766 8.039 0.727 1
1 687 . 18 1 1 A 66 66 LEU HA H 66 4.212 4.123 0.089 1
1 697 . 18 1 1 A 66 66 LEU C C 66 177.167 176.551 0.616 1
1 698 . 18 1 1 A 66 66 LEU CA C 66 57.854 56.567 1.287 1
1 699 . 18 1 1 A 66 66 LEU CB C 66 41.006 40.286 0.720 1
1 703 . 18 1 1 A 66 66 LEU N N 66 126.997 116.667 10.330 1
1 704 . 18 1 1 A 67 67 ASN H H 67 8.585 8.333 0.252 1
1 705 . 18 1 1 A 67 67 ASN HA H 67 4.721 4.826 -0.105 1
1 710 . 18 1 1 A 67 67 ASN C C 67 176.583 175.697 0.886 1
1 711 . 18 1 1 A 67 67 ASN CA C 67 55.648 54.037 1.611 1
1 712 . 18 1 1 A 67 67 ASN CB C 67 38.464 39.638 -1.174 1
1 713 . 18 1 1 A 67 67 ASN N N 67 113.883 115.872 -1.989 1
1 715 . 18 1 1 A 68 68 THR H H 68 8.007 8.133 -0.126 1
1 716 . 18 1 1 A 68 68 THR HA H 68 4.513 4.555 -0.042 1
1 721 . 18 1 1 A 68 68 THR C C 68 172.870 173.549 -0.679 1
1 722 . 18 1 1 A 68 68 THR CA C 68 61.441 60.199 1.242 1
1 723 . 18 1 1 A 68 68 THR CB C 68 69.432 68.798 0.634 1
1 725 . 18 1 1 A 68 68 THR N N 68 108.340 105.714 2.626 1
1 726 . 18 1 1 A 69 69 TYR H H 69 7.560 8.330 -0.770 1
1 727 . 18 1 1 A 69 69 TYR HA H 69 5.199 5.582 -0.383 1
1 734 . 18 1 1 A 69 69 TYR C C 69 174.283 174.469 -0.186 1
1 735 . 18 1 1 A 69 69 TYR CA C 69 57.848 56.311 1.537 1
1 736 . 18 1 1 A 69 69 TYR CB C 69 44.393 43.543 0.850 1
1 741 . 18 1 1 A 69 69 TYR N N 69 119.888 121.710 -1.822 1
1 742 . 18 1 1 A 70 70 ASN H H 70 9.116 9.243 -0.127 1
1 743 . 18 1 1 A 70 70 ASN HA H 70 5.162 5.390 -0.228 1
1 748 . 18 1 1 A 70 70 ASN C C 70 174.340 174.300 0.040 1
1 749 . 18 1 1 A 70 70 ASN CA C 70 52.364 52.580 -0.216 1
1 750 . 18 1 1 A 70 70 ASN CB C 70 42.062 42.988 -0.926 1
1 751 . 18 1 1 A 70 70 ASN N N 70 116.071 117.672 -1.601 1
1 753 . 18 1 1 A 71 71 VAL H H 71 8.564 9.425 -0.861 1
1 754 . 18 1 1 A 71 71 VAL HA H 71 5.766 4.913 0.853 1
1 762 . 18 1 1 A 71 71 VAL C C 71 173.261 175.841 -2.580 1
1 763 . 18 1 1 A 71 71 VAL CA C 71 59.076 62.221 -3.145 1
1 764 . 18 1 1 A 71 71 VAL CB C 71 34.982 32.683 2.299 1
1 767 . 18 1 1 A 71 71 VAL N N 71 120.784 124.673 -3.889 1
1 768 . 18 1 1 A 72 72 VAL H H 72 9.308 8.819 0.489 1
1 769 . 18 1 1 A 72 72 VAL HA H 72 4.806 4.857 -0.051 1
1 777 . 18 1 1 A 72 72 VAL C C 72 175.047 174.101 0.946 1
1 778 . 18 1 1 A 72 72 VAL CA C 72 60.330 59.825 0.505 1
1 779 . 18 1 1 A 72 72 VAL CB C 72 36.467 34.822 1.645 1
1 782 . 18 1 1 A 72 72 VAL N N 72 125.272 121.760 3.512 1
1 783 . 18 1 1 A 73 73 LYS H H 73 8.793 8.302 0.491 1
1 784 . 18 1 1 A 73 73 LYS HA H 73 4.652 3.047 1.605 1
1 793 . 18 1 1 A 73 73 LYS C C 73 176.241 174.776 1.465 1
1 794 . 18 1 1 A 73 73 LYS CA C 73 55.799 55.760 0.039 1
1 795 . 18 1 1 A 73 73 LYS CB C 73 33.452 32.278 1.174 1
1 799 . 18 1 1 A 73 73 LYS N N 73 124.197 126.509 -2.312 1
1 800 . 18 1 1 A 74 74 ALA H H 74 8.172 8.346 -0.174 1
1 801 . 18 1 1 A 74 74 ALA HA H 74 4.849 4.333 0.516 1
1 805 . 18 1 1 A 74 74 ALA CA C 74 49.540 50.235 -0.695 1
1 806 . 18 1 1 A 74 74 ALA CB C 74 17.685 19.177 -1.492 1
1 807 . 18 1 1 A 74 74 ALA N N 74 128.026 129.915 -1.889 1
1 808 . 18 1 1 A 75 75 PRO HA H 75 4.351 4.418 -0.067 1
1 815 . 18 1 1 A 75 75 PRO CA C 75 65.256 63.159 2.097 1
1 816 . 18 1 1 A 75 75 PRO CB C 75 32.158 32.346 -0.188 1
1 819 . 18 1 1 A 76 76 GLN H H 76 8.660 8.990 -0.330 1
1 820 . 18 1 1 A 76 76 GLN HA H 76 4.561 3.959 0.602 1
1 825 . 18 1 1 A 76 76 GLN C C 76 176.426 175.868 0.558 1
1 826 . 18 1 1 A 76 76 GLN CA C 76 55.168 57.235 -2.067 1
1 827 . 18 1 1 A 76 76 GLN CB C 76 28.925 26.919 2.006 1
1 829 . 18 1 1 A 76 76 GLN N N 76 116.110 116.048 0.062 1
1 830 . 18 1 1 A 77 77 GLY H H 77 7.527 8.535 -1.008 1
1 831 . 18 1 1 A 77 77 GLY HA2 H 77 3.382 3.899 -0.517 1
1 832 . 18 1 1 A 77 77 GLY HA3 H 77 4.505 3.960 0.545 1
1 833 . 18 1 1 A 77 77 GLY C C 77 172.487 172.725 -0.238 1
1 834 . 18 1 1 A 77 77 GLY CA C 77 44.852 44.748 0.104 1
1 835 . 18 1 1 A 77 77 GLY N N 77 107.608 107.382 0.226 1
1 836 . 18 1 1 A 78 78 LYS H H 78 8.123 8.446 -0.323 1
1 837 . 18 1 1 A 78 78 LYS HA H 78 4.191 4.791 -0.600 1
1 846 . 18 1 1 A 78 78 LYS C C 78 175.300 176.626 -1.326 1
1 847 . 18 1 1 A 78 78 LYS CA C 78 56.737 54.247 2.490 1
1 848 . 18 1 1 A 78 78 LYS CB C 78 35.900 36.063 -0.163 1
1 852 . 18 1 1 A 78 78 LYS N N 78 117.756 118.627 -0.871 1
1 853 . 18 1 1 A 79 79 ASN H H 79 9.105 8.819 0.286 1
1 854 . 18 1 1 A 79 79 ASN HA H 79 4.099 4.176 -0.077 1
1 859 . 18 1 1 A 79 79 ASN C C 79 175.098 174.930 0.168 1
1 860 . 18 1 1 A 79 79 ASN CA C 79 54.563 55.439 -0.876 1
1 861 . 18 1 1 A 79 79 ASN CB C 79 37.353 36.986 0.367 1
1 862 . 18 1 1 A 79 79 ASN N N 79 120.643 115.752 4.891 1
1 864 . 18 1 1 A 80 80 GLN H H 80 8.608 8.572 0.036 1
1 865 . 18 1 1 A 80 80 GLN HA H 80 3.648 4.456 -0.808 1
1 870 . 18 1 1 A 80 80 GLN C C 80 175.327 174.850 0.477 1
1 871 . 18 1 1 A 80 80 GLN CA C 80 57.975 55.566 2.409 1
1 872 . 18 1 1 A 80 80 GLN CB C 80 26.506 30.362 -3.856 1
1 874 . 18 1 1 A 80 80 GLN N N 80 108.385 118.425 -10.040 1
1 875 . 18 1 1 A 81 81 LYS H H 81 7.608 7.668 -0.060 1
1 876 . 18 1 1 A 81 81 LYS HA H 81 4.325 4.536 -0.211 1
1 885 . 18 1 1 A 81 81 LYS C C 81 176.242 176.451 -0.209 1
1 886 . 18 1 1 A 81 81 LYS CA C 81 54.186 54.311 -0.125 1
1 887 . 18 1 1 A 81 81 LYS CB C 81 33.385 34.366 -0.981 1
1 891 . 18 1 1 A 81 81 LYS N N 81 119.675 119.357 0.318 1
1 892 . 18 1 1 A 82 82 SER H H 82 7.692 8.701 -1.009 1
1 893 . 18 1 1 A 82 82 SER HA H 82 3.850 4.302 -0.452 1
1 896 . 18 1 1 A 82 82 SER C C 82 174.045 172.806 1.239 1
1 897 . 18 1 1 A 82 82 SER CA C 82 60.984 58.578 2.406 1
1 898 . 18 1 1 A 82 82 SER CB C 82 62.962 64.887 -1.925 1
1 899 . 18 1 1 A 82 82 SER N N 82 117.008 117.505 -0.497 1
1 900 . 18 1 1 A 83 83 PHE H H 83 8.545 7.464 1.081 1
1 901 . 18 1 1 A 83 83 PHE HA H 83 4.921 5.242 -0.321 1
1 908 . 18 1 1 A 83 83 PHE C C 83 172.686 174.555 -1.869 1
1 909 . 18 1 1 A 83 83 PHE CA C 83 55.383 56.725 -1.342 1
1 910 . 18 1 1 A 83 83 PHE CB C 83 37.774 40.669 -2.895 1
1 915 . 18 1 1 A 83 83 PHE N N 83 124.073 118.578 5.495 1
1 916 . 18 1 1 A 84 84 VAL H H 84 8.420 8.753 -0.333 1
1 917 . 18 1 1 A 84 84 VAL HA H 84 5.348 5.166 0.182 1
1 925 . 18 1 1 A 84 84 VAL C C 84 175.816 174.839 0.977 1
1 926 . 18 1 1 A 84 84 VAL CA C 84 60.177 60.517 -0.340 1
1 927 . 18 1 1 A 84 84 VAL CB C 84 37.646 35.961 1.685 1
1 930 . 18 1 1 A 84 84 VAL N N 84 123.085 123.172 -0.087 1
1 931 . 18 1 1 A 85 85 PHE H H 85 8.812 9.040 -0.228 1
1 932 . 18 1 1 A 85 85 PHE HA H 85 5.510 5.268 0.242 1
1 940 . 18 1 1 A 85 85 PHE C C 85 171.610 175.474 -3.864 1
1 941 . 18 1 1 A 85 85 PHE CA C 85 55.360 55.839 -0.479 1
1 942 . 18 1 1 A 85 85 PHE CB C 85 41.424 43.214 -1.790 1
1 948 . 18 1 1 A 85 85 PHE N N 85 122.454 124.702 -2.248 1
1 949 . 18 1 1 A 86 86 ILE H H 86 9.406 8.925 0.481 1
1 950 . 18 1 1 A 86 86 ILE HA H 86 4.844 5.152 -0.308 1
1 960 . 18 1 1 A 86 86 ILE C C 86 175.559 174.783 0.776 1
1 961 . 18 1 1 A 86 86 ILE CA C 86 60.323 60.408 -0.085 1
1 962 . 18 1 1 A 86 86 ILE CB C 86 42.374 42.656 -0.282 1
1 966 . 18 1 1 A 86 86 ILE N N 86 120.483 120.437 0.046 1
1 967 . 18 1 1 A 87 87 LEU H H 87 9.450 9.446 0.004 1
1 968 . 18 1 1 A 87 87 LEU HA H 87 5.238 5.550 -0.312 1
1 978 . 18 1 1 A 87 87 LEU C C 87 175.145 175.870 -0.725 1
1 979 . 18 1 1 A 87 87 LEU CA C 87 52.778 53.739 -0.961 1
1 980 . 18 1 1 A 87 87 LEU CB C 87 40.657 43.287 -2.630 1
1 984 . 18 1 1 A 87 87 LEU N N 87 126.149 127.917 -1.768 1
1 985 . 18 1 1 A 88 88 GLU H H 88 9.120 9.073 0.047 1
1 986 . 18 1 1 A 88 88 GLU HA H 88 4.986 4.987 -0.001 1
1 991 . 18 1 1 A 88 88 GLU CA C 88 52.677 52.614 0.063 1
1 992 . 18 1 1 A 88 88 GLU CB C 88 31.511 30.818 0.693 1
1 994 . 18 1 1 A 88 88 GLU N N 88 126.028 124.615 1.413 1
1 995 . 18 1 1 A 89 89 PRO HA H 89 4.239 4.050 0.189 1
1 1002 . 18 1 1 A 89 89 PRO C C 89 177.398 177.226 0.172 1
1 1003 . 18 1 1 A 89 89 PRO CA C 89 63.214 62.897 0.317 1
1 1004 . 18 1 1 A 89 89 PRO CB C 89 32.855 31.468 1.387 1
1 1007 . 18 1 1 A 90 90 LYS H H 90 8.166 8.802 -0.636 1
1 1008 . 18 1 1 A 90 90 LYS HA H 90 4.041 4.180 -0.139 1
1 1017 . 18 1 1 A 90 90 LYS C C 90 177.384 176.307 1.077 1
1 1018 . 18 1 1 A 90 90 LYS CA C 90 58.404 57.290 1.114 1
1 1019 . 18 1 1 A 90 90 LYS CB C 90 33.133 32.259 0.874 1
1 1023 . 18 1 1 A 90 90 LYS N N 90 121.350 120.724 0.626 1
1 1024 . 18 1 1 A 91 91 GLN H H 91 8.252 7.689 0.563 1
1 1025 . 18 1 1 A 91 91 GLN HA H 91 4.423 4.583 -0.160 1
1 1032 . 18 1 1 A 91 91 GLN C C 91 175.039 176.003 -0.964 1
1 1033 . 18 1 1 A 91 91 GLN CA C 91 54.303 54.592 -0.289 1
1 1034 . 18 1 1 A 91 91 GLN CB C 91 29.208 30.361 -1.153 1
1 1036 . 18 1 1 A 91 91 GLN N N 91 118.759 116.008 2.751 1
1 1038 . 18 1 1 A 92 92 GLN H H 92 8.460 8.822 -0.362 1
1 1039 . 18 1 1 A 92 92 GLN HA H 92 4.057 4.211 -0.154 1
1 1044 . 18 1 1 A 92 92 GLN C C 92 177.080 175.839 1.241 1
1 1045 . 18 1 1 A 92 92 GLN CA C 92 57.446 56.863 0.583 1
1 1046 . 18 1 1 A 92 92 GLN CB C 92 28.472 28.701 -0.229 1
1 1048 . 18 1 1 A 92 92 GLN N N 92 124.928 121.796 3.132 1
1 1049 . 18 1 1 A 93 93 GLY H H 93 8.870 8.574 0.296 1
1 1050 . 18 1 1 A 93 93 GLY HA2 H 93 3.639 3.919 -0.280 1
1 1051 . 18 1 1 A 93 93 GLY HA3 H 93 4.338 3.923 0.415 1
1 1052 . 18 1 1 A 93 93 GLY C C 93 174.298 173.710 0.588 1
1 1053 . 18 1 1 A 93 93 GLY CA C 93 45.336 46.351 -1.015 1
1 1054 . 18 1 1 A 93 93 GLY N N 93 113.393 109.083 4.310 1
1 1055 . 18 1 1 A 94 94 ASP H H 94 7.546 7.041 0.505 1
1 1056 . 18 1 1 A 94 94 ASP HA H 94 5.056 4.765 0.291 1
1 1059 . 18 1 1 A 94 94 ASP CA C 94 52.662 53.001 -0.339 1
1 1060 . 18 1 1 A 94 94 ASP CB C 94 40.179 39.692 0.487 1
1 1061 . 18 1 1 A 94 94 ASP N N 94 123.111 119.506 3.605 1
1 1062 . 18 1 1 A 95 95 PRO HA H 95 4.933 4.671 0.262 1
1 1069 . 18 1 1 A 95 95 PRO CA C 95 61.243 61.821 -0.578 1
1 1070 . 18 1 1 A 95 95 PRO CB C 95 31.234 32.143 -0.909 1
1 1073 . 18 1 1 A 96 96 PRO HA H 96 5.190 4.899 0.291 1
1 1080 . 18 1 1 A 96 96 PRO C C 96 176.664 175.550 1.114 1
1 1081 . 18 1 1 A 96 96 PRO CA C 96 62.399 62.447 -0.048 1
1 1082 . 18 1 1 A 96 96 PRO CB C 96 32.850 32.962 -0.112 1
1 1085 . 18 1 1 A 97 97 VAL H H 97 8.448 8.277 0.171 1
1 1086 . 18 1 1 A 97 97 VAL HA H 97 4.145 4.690 -0.545 1
1 1094 . 18 1 1 A 97 97 VAL C C 97 174.020 174.833 -0.813 1
1 1095 . 18 1 1 A 97 97 VAL CA C 97 61.710 60.714 0.996 1
1 1096 . 18 1 1 A 97 97 VAL CB C 97 33.977 35.355 -1.378 1
1 1099 . 18 1 1 A 97 97 VAL N N 97 121.904 119.858 2.046 1
1 1100 . 18 1 1 A 98 98 GLU H H 98 8.599 8.671 -0.072 1
1 1101 . 18 1 1 A 98 98 GLU HA H 98 4.778 5.370 -0.592 1
1 1106 . 18 1 1 A 98 98 GLU C C 98 173.807 175.407 -1.600 1
1 1107 . 18 1 1 A 98 98 GLU CA C 98 55.674 55.030 0.644 1
1 1108 . 18 1 1 A 98 98 GLU CB C 98 30.827 32.837 -2.010 1
1 1110 . 18 1 1 A 98 98 GLU N N 98 126.577 126.396 0.181 1
1 1111 . 18 1 1 A 99 99 PHE H H 99 8.701 9.380 -0.679 1
1 1112 . 18 1 1 A 99 99 PHE HA H 99 5.773 5.932 -0.159 1
1 1120 . 18 1 1 A 99 99 PHE C C 99 174.648 174.916 -0.268 1
1 1121 . 18 1 1 A 99 99 PHE CA C 99 55.799 56.902 -1.103 1
1 1122 . 18 1 1 A 99 99 PHE CB C 99 44.025 44.445 -0.420 1
1 1128 . 18 1 1 A 99 99 PHE N N 99 120.755 120.569 0.186 1
1 1129 . 18 1 1 A 100 100 ALA H H 100 8.737 8.709 0.028 1
1 1130 . 18 1 1 A 100 100 ALA HA H 100 5.669 5.198 0.471 1
1 1134 . 18 1 1 A 100 100 ALA C C 100 176.491 176.227 0.264 1
1 1135 . 18 1 1 A 100 100 ALA CA C 100 49.850 51.608 -1.758 1
1 1136 . 18 1 1 A 100 100 ALA CB C 100 23.399 22.814 0.585 1
1 1137 . 18 1 1 A 100 100 ALA N N 100 118.211 122.225 -4.014 1
1 1138 . 18 1 1 A 101 101 THR H H 101 8.272 8.760 -0.488 1
1 1139 . 18 1 1 A 101 101 THR HA H 101 5.232 5.076 0.156 1
1 1144 . 18 1 1 A 101 101 THR C C 101 174.787 173.785 1.002 1
1 1145 . 18 1 1 A 101 101 THR CA C 101 59.068 60.171 -1.103 1
1 1146 . 18 1 1 A 101 101 THR CB C 101 70.089 72.270 -2.181 1
1 1148 . 18 1 1 A 101 101 THR N N 101 108.062 109.558 -1.496 1
1 1149 . 18 1 1 A 102 102 ASP H H 102 8.625 8.728 -0.103 1
1 1150 . 18 1 1 A 102 102 ASP HA H 102 5.009 4.801 0.208 1
1 1153 . 18 1 1 A 102 102 ASP C C 102 177.730 175.613 2.117 1
1 1154 . 18 1 1 A 102 102 ASP CA C 102 56.976 53.504 3.472 1
1 1155 . 18 1 1 A 102 102 ASP CB C 102 42.543 42.072 0.471 1
1 1156 . 18 1 1 A 102 102 ASP N N 102 118.482 119.584 -1.102 1
1 1157 . 18 1 1 A 103 103 ARG H H 103 8.208 7.533 0.675 1
1 1158 . 18 1 1 A 103 103 ARG HA H 103 4.772 4.879 -0.107 1
1 1165 . 18 1 1 A 103 103 ARG C C 103 178.000 176.163 1.837 1
1 1166 . 18 1 1 A 103 103 ARG CA C 103 54.079 53.902 0.177 1
1 1167 . 18 1 1 A 103 103 ARG CB C 103 33.914 34.303 -0.389 1
1 1170 . 18 1 1 A 103 103 ARG N N 103 116.043 118.226 -2.183 1
1 1171 . 18 1 1 A 104 104 VAL H H 104 8.516 9.016 -0.500 1
1 1172 . 18 1 1 A 104 104 VAL HA H 104 2.857 3.442 -0.585 1
1 1180 . 18 1 1 A 104 104 VAL C C 104 176.158 177.442 -1.284 1
1 1181 . 18 1 1 A 104 104 VAL CA C 104 64.625 66.490 -1.865 1
1 1182 . 18 1 1 A 104 104 VAL CB C 104 30.883 31.569 -0.686 1
1 1185 . 18 1 1 A 104 104 VAL N N 104 128.496 121.586 6.910 1
1 1186 . 18 1 1 A 105 105 GLU H H 105 9.414 8.362 1.052 1
1 1187 . 18 1 1 A 105 105 GLU HA H 105 3.989 3.985 0.004 1
1 1192 . 18 1 1 A 105 105 GLU C C 105 179.982 179.734 0.248 1
1 1193 . 18 1 1 A 105 105 GLU CA C 105 60.599 59.764 0.835 1
1 1194 . 18 1 1 A 105 105 GLU CB C 105 27.973 29.271 -1.298 1
1 1196 . 18 1 1 A 105 105 GLU N N 105 121.934 118.822 3.112 1
1 1197 . 18 1 1 A 106 106 GLU H H 106 6.769 8.386 -1.617 1
1 1198 . 18 1 1 A 106 106 GLU HA H 106 4.370 4.094 0.276 1
1 1203 . 18 1 1 A 106 106 GLU C C 106 178.312 179.242 -0.930 1
1 1204 . 18 1 1 A 106 106 GLU CA C 106 58.503 59.199 -0.696 1
1 1205 . 18 1 1 A 106 106 GLU CB C 106 30.657 29.352 1.305 1
1 1207 . 18 1 1 A 106 106 GLU N N 106 116.721 120.275 -3.554 1
1 1208 . 18 1 1 A 107 107 LEU H H 107 7.161 7.946 -0.785 1
1 1209 . 18 1 1 A 107 107 LEU HA H 107 4.040 4.192 -0.152 1
1 1219 . 18 1 1 A 107 107 LEU C C 107 177.985 178.269 -0.284 1
1 1220 . 18 1 1 A 107 107 LEU CA C 107 58.930 58.117 0.813 1
1 1221 . 18 1 1 A 107 107 LEU CB C 107 40.058 42.100 -2.042 1
1 1225 . 18 1 1 A 107 107 LEU N N 107 122.171 122.408 -0.237 1
1 1226 . 18 1 1 A 108 108 PHE H H 108 7.986 8.387 -0.401 1
1 1227 . 18 1 1 A 108 108 PHE HA H 108 4.199 4.061 0.138 1
1 1234 . 18 1 1 A 108 108 PHE C C 108 178.069 177.800 0.269 1
1 1235 . 18 1 1 A 108 108 PHE CA C 108 61.167 61.011 0.156 1
1 1236 . 18 1 1 A 108 108 PHE CB C 108 38.208 38.443 -0.235 1
1 1241 . 18 1 1 A 108 108 PHE N N 108 116.696 119.202 -2.506 1
1 1242 . 18 1 1 A 109 109 GLU H H 109 7.719 8.518 -0.799 1
1 1243 . 18 1 1 A 109 109 GLU HA H 109 3.951 4.028 -0.077 1
1 1248 . 18 1 1 A 109 109 GLU C C 109 179.858 179.170 0.688 1
1 1249 . 18 1 1 A 109 109 GLU CA C 109 59.664 59.158 0.506 1
1 1250 . 18 1 1 A 109 109 GLU CB C 109 29.923 29.117 0.806 1
1 1252 . 18 1 1 A 109 109 GLU N N 109 119.214 119.495 -0.281 1
1 1253 . 18 1 1 A 110 110 TRP H H 110 8.445 7.830 0.615 1
1 1254 . 18 1 1 A 110 110 TRP HA H 110 3.634 4.243 -0.609 1
1 1263 . 18 1 1 A 110 110 TRP C C 110 177.691 178.864 -1.173 1
1 1264 . 18 1 1 A 110 110 TRP CA C 110 62.078 60.341 1.737 1
1 1265 . 18 1 1 A 110 110 TRP CB C 110 29.275 28.833 0.442 1
1 1271 . 18 1 1 A 110 110 TRP N N 110 120.045 120.632 -0.587 1
1 1273 . 18 1 1 A 111 111 PHE H H 111 8.668 7.858 0.810 1
1 1274 . 18 1 1 A 111 111 PHE HA H 111 3.436 4.011 -0.575 1
1 1282 . 18 1 1 A 111 111 PHE C C 111 176.547 177.692 -1.145 1
1 1283 . 18 1 1 A 111 111 PHE CA C 111 62.182 61.347 0.835 1
1 1284 . 18 1 1 A 111 111 PHE CB C 111 39.904 37.258 2.646 1
1 1290 . 18 1 1 A 111 111 PHE N N 111 117.907 117.561 0.346 1
1 1291 . 18 1 1 A 112 112 GLN H H 112 8.254 7.947 0.307 1
1 1292 . 18 1 1 A 112 112 GLN HA H 112 3.685 3.839 -0.154 1
1 1299 . 18 1 1 A 112 112 GLN C C 112 178.503 177.969 0.534 1
1 1300 . 18 1 1 A 112 112 GLN CA C 112 58.624 58.693 -0.069 1
1 1301 . 18 1 1 A 112 112 GLN CB C 112 27.980 28.397 -0.417 1
1 1303 . 18 1 1 A 112 112 GLN N N 112 116.394 121.180 -4.786 1
1 1305 . 18 1 1 A 113 113 SER H H 113 7.741 7.310 0.431 1
1 1306 . 18 1 1 A 113 113 SER HA H 113 4.036 4.525 -0.489 1
1 1309 . 18 1 1 A 113 113 SER C C 113 176.428 177.413 -0.985 1
1 1310 . 18 1 1 A 113 113 SER CA C 113 62.062 61.404 0.658 1
1 1311 . 18 1 1 A 113 113 SER CB C 113 62.655 62.901 -0.246 1
1 1312 . 18 1 1 A 113 113 SER N N 113 114.734 114.419 0.315 1
1 1313 . 18 1 1 A 114 114 ILE H H 114 7.915 7.866 0.049 1
1 1314 . 18 1 1 A 114 114 ILE HA H 114 3.559 3.652 -0.093 1
1 1324 . 18 1 1 A 114 114 ILE C C 114 178.594 178.338 0.256 1
1 1325 . 18 1 1 A 114 114 ILE CA C 114 65.364 65.159 0.205 1
1 1326 . 18 1 1 A 114 114 ILE CB C 114 38.395 37.506 0.889 1
1 1330 . 18 1 1 A 114 114 ILE N N 114 119.893 121.247 -1.354 1
1 1331 . 18 1 1 A 115 115 ARG H H 115 8.581 7.780 0.801 1
1 1332 . 18 1 1 A 115 115 ARG HA H 115 3.881 4.525 -0.644 1
1 1339 . 18 1 1 A 115 115 ARG C C 115 177.921 179.293 -1.372 1
1 1340 . 18 1 1 A 115 115 ARG CA C 115 58.689 59.353 -0.664 1
1 1341 . 18 1 1 A 115 115 ARG CB C 115 29.134 29.503 -0.369 1
1 1344 . 18 1 1 A 115 115 ARG N N 115 123.090 122.075 1.015 1
1 1345 . 18 1 1 A 116 116 GLU H H 116 7.653 8.237 -0.584 1
1 1346 . 18 1 1 A 116 116 GLU HA H 116 3.959 4.181 -0.222 1
1 1351 . 18 1 1 A 116 116 GLU C C 116 178.178 177.584 0.594 1
1 1352 . 18 1 1 A 116 116 GLU CA C 116 58.767 58.860 -0.093 1
1 1353 . 18 1 1 A 116 116 GLU CB C 116 29.501 29.644 -0.143 1
1 1355 . 18 1 1 A 116 116 GLU N N 116 116.356 117.996 -1.640 1
1 1356 . 18 1 1 A 117 117 ILE H H 117 7.334 7.207 0.127 1
1 1357 . 18 1 1 A 117 117 ILE HA H 117 3.909 4.260 -0.351 1
1 1367 . 18 1 1 A 117 117 ILE C C 117 177.733 177.245 0.488 1
1 1368 . 18 1 1 A 117 117 ILE CA C 117 63.443 62.024 1.419 1
1 1369 . 18 1 1 A 117 117 ILE CB C 117 39.059 38.987 0.072 1
1 1373 . 18 1 1 A 117 117 ILE N N 117 117.514 117.407 0.107 1
1 1374 . 18 1 1 A 118 118 THR H H 118 8.075 7.454 0.621 1
1 1375 . 18 1 1 A 118 118 THR HA H 118 4.367 4.620 -0.253 1
1 1380 . 18 1 1 A 118 118 THR C C 118 176.050 174.566 1.484 1
1 1381 . 18 1 1 A 118 118 THR CA C 118 63.494 61.808 1.686 1
1 1382 . 18 1 1 A 118 118 THR CB C 118 70.326 69.618 0.708 1
1 1384 . 18 1 1 A 118 118 THR N N 118 109.879 110.679 -0.800 1
1 1385 . 18 1 1 A 119 119 TRP H H 119 8.283 7.624 0.659 1
1 1386 . 18 1 1 A 119 119 TRP HA H 119 4.792 4.838 -0.046 1
1 1395 . 18 1 1 A 119 119 TRP C C 119 175.855 175.607 0.248 1
1 1396 . 18 1 1 A 119 119 TRP CA C 119 57.464 58.076 -0.612 1
1 1397 . 18 1 1 A 119 119 TRP CB C 119 29.488 31.866 -2.378 1
1 1403 . 18 1 1 A 119 119 TRP N N 119 124.034 121.223 2.811 1
1 1405 . 18 1 1 A 120 120 LYS H H 120 7.723 7.686 0.037 1
1 1406 . 18 1 1 A 120 120 LYS HA H 120 4.198 4.886 -0.688 1
1 1415 . 18 1 1 A 120 120 LYS C C 120 176.162 175.421 0.741 1
1 1416 . 18 1 1 A 120 120 LYS CA C 120 56.049 55.167 0.882 1
1 1417 . 18 1 1 A 120 120 LYS CB C 120 32.924 34.576 -1.652 1
1 1421 . 18 1 1 A 120 120 LYS N N 120 123.166 116.905 6.261 1
1 1422 . 18 1 1 A 121 121 ILE H H 121 7.874 8.813 -0.939 1
1 1423 . 18 1 1 A 121 121 ILE HA H 121 4.035 4.744 -0.709 1
1 1433 . 18 1 1 A 121 121 ILE C C 121 175.950 174.321 1.629 1
1 1434 . 18 1 1 A 121 121 ILE CA C 121 61.120 60.703 0.417 1
1 1435 . 18 1 1 A 121 121 ILE CB C 121 38.708 39.967 -1.259 1
1 1439 . 18 1 1 A 121 121 ILE N N 121 121.301 121.806 -0.505 1
1 1440 . 18 1 1 A 122 122 ASP H H 122 8.317 9.110 -0.793 1
1 1441 . 18 1 1 A 122 122 ASP HA H 122 4.677 5.052 -0.375 1
1 1444 . 18 1 1 A 122 122 ASP C C 122 176.278 176.177 0.101 1
1 1445 . 18 1 1 A 122 122 ASP CA C 122 54.157 53.493 0.664 1
1 1446 . 18 1 1 A 122 122 ASP CB C 122 41.316 41.598 -0.282 1
1 1447 . 18 1 1 A 122 122 ASP N N 122 124.058 128.506 -4.448 1
1 1448 . 18 1 1 A 123 123 THR H H 123 8.003 8.758 -0.755 1
1 1449 . 18 1 1 A 123 123 THR HA H 123 4.307 4.399 -0.092 1
1 1454 . 18 1 1 A 123 123 THR C C 123 173.831 175.144 -1.313 1
1 1455 . 18 1 1 A 123 123 THR CA C 123 61.715 63.653 -1.938 1
1 1456 . 18 1 1 A 123 123 THR CB C 123 69.736 69.453 0.283 1
1 1458 . 18 1 1 A 123 123 THR N N 123 114.853 119.870 -5.017 1
1 2 . 19 1 1 A 9 9 LYS H H 9 8.338 8.736 -0.398 1
1 3 . 19 1 1 A 9 9 LYS C C 9 176.402 175.775 0.627 1
1 4 . 19 1 1 A 9 9 LYS N N 9 122.857 119.916 2.941 1
1 5 . 19 1 1 A 10 10 ASP H H 10 8.335 8.505 -0.170 1
1 6 . 19 1 1 A 10 10 ASP HA H 10 4.562 4.851 -0.289 1
1 9 . 19 1 1 A 10 10 ASP C C 10 176.123 175.915 0.208 1
1 10 . 19 1 1 A 10 10 ASP CA C 10 54.344 54.370 -0.026 1
1 11 . 19 1 1 A 10 10 ASP CB C 10 41.227 42.797 -1.570 1
1 12 . 19 1 1 A 10 10 ASP N N 10 121.507 118.446 3.061 1
1 13 . 19 1 1 A 11 11 GLU H H 11 8.231 8.145 0.086 1
1 14 . 19 1 1 A 11 11 GLU HA H 11 4.222 4.210 0.012 1
1 19 . 19 1 1 A 11 11 GLU CA C 11 56.356 58.629 -2.273 1
1 20 . 19 1 1 A 11 11 GLU CB C 11 30.439 28.446 1.993 1
1 22 . 19 1 1 A 11 11 GLU N N 11 121.321 116.171 5.150 1
1 23 . 19 1 1 A 12 12 HIS H H 12 8.431 8.910 -0.479 1
1 24 . 19 1 1 A 12 12 HIS HA H 12 4.618 4.114 0.504 1
1 28 . 19 1 1 A 12 12 HIS C C 12 174.980 174.305 0.675 1
1 29 . 19 1 1 A 12 12 HIS CA C 12 55.952 56.903 -0.951 1
1 30 . 19 1 1 A 12 12 HIS CB C 12 30.058 28.680 1.378 1
1 32 . 19 1 1 A 12 12 HIS N N 12 120.447 120.781 -0.334 1
1 33 . 19 1 1 A 13 13 LYS H H 13 8.191 8.119 0.072 1
1 34 . 19 1 1 A 13 13 LYS HA H 13 4.355 3.778 0.577 1
1 43 . 19 1 1 A 13 13 LYS C C 13 175.327 174.865 0.462 1
1 44 . 19 1 1 A 13 13 LYS CA C 13 55.620 56.713 -1.093 1
1 45 . 19 1 1 A 13 13 LYS CB C 13 33.729 31.165 2.564 1
1 49 . 19 1 1 A 13 13 LYS N N 13 124.365 121.799 2.566 1
1 50 . 19 1 1 A 14 14 GLN H H 14 8.229 8.354 -0.125 1
1 51 . 19 1 1 A 14 14 GLN HA H 14 4.037 4.413 -0.376 1
1 58 . 19 1 1 A 14 14 GLN C C 14 173.432 174.423 -0.991 1
1 59 . 19 1 1 A 14 14 GLN CA C 14 54.613 54.644 -0.031 1
1 60 . 19 1 1 A 14 14 GLN CB C 14 29.096 28.939 0.157 1
1 62 . 19 1 1 A 14 14 GLN N N 14 123.823 125.063 -1.240 1
1 64 . 19 1 1 A 15 15 GLN H H 15 7.896 8.388 -0.492 1
1 65 . 19 1 1 A 15 15 GLN HA H 15 5.459 5.267 0.192 1
1 70 . 19 1 1 A 15 15 GLN C C 15 174.263 175.419 -1.156 1
1 71 . 19 1 1 A 15 15 GLN CA C 15 54.506 54.050 0.456 1
1 72 . 19 1 1 A 15 15 GLN CB C 15 31.418 32.040 -0.622 1
1 74 . 19 1 1 A 15 15 GLN N N 15 121.452 125.661 -4.209 1
1 75 . 19 1 1 A 16 16 GLY H H 16 8.795 8.275 0.520 1
1 76 . 19 1 1 A 16 16 GLY HA2 H 16 4.056 4.285 -0.229 1
1 77 . 19 1 1 A 16 16 GLY HA3 H 16 4.801 4.487 0.314 1
1 78 . 19 1 1 A 16 16 GLY C C 16 171.456 171.515 -0.059 1
1 79 . 19 1 1 A 16 16 GLY CA C 16 44.773 46.116 -1.343 1
1 80 . 19 1 1 A 16 16 GLY N N 16 107.937 109.585 -1.648 1
1 81 . 19 1 1 A 17 17 GLU H H 17 8.718 8.756 -0.038 1
1 82 . 19 1 1 A 17 17 GLU HA H 17 5.220 5.220 0.000 1
1 87 . 19 1 1 A 17 17 GLU C C 17 176.562 175.153 1.409 1
1 88 . 19 1 1 A 17 17 GLU CA C 17 55.880 54.728 1.152 1
1 89 . 19 1 1 A 17 17 GLU CB C 17 30.995 33.761 -2.766 1
1 91 . 19 1 1 A 17 17 GLU N N 17 119.686 121.817 -2.131 1
1 92 . 19 1 1 A 18 18 LEU H H 18 8.806 8.665 0.141 1
1 93 . 19 1 1 A 18 18 LEU HA H 18 4.652 4.739 -0.087 1
1 103 . 19 1 1 A 18 18 LEU C C 18 176.851 174.592 2.259 1
1 104 . 19 1 1 A 18 18 LEU CA C 18 53.786 52.910 0.876 1
1 105 . 19 1 1 A 18 18 LEU CB C 18 47.961 45.826 2.135 1
1 109 . 19 1 1 A 18 18 LEU N N 18 122.158 123.556 -1.398 1
1 110 . 19 1 1 A 19 19 TYR H H 19 8.833 8.061 0.772 1
1 111 . 19 1 1 A 19 19 TYR HA H 19 5.837 5.695 0.142 1
1 118 . 19 1 1 A 19 19 TYR C C 19 176.038 175.687 0.351 1
1 119 . 19 1 1 A 19 19 TYR CA C 19 56.750 56.739 0.011 1
1 120 . 19 1 1 A 19 19 TYR CB C 19 40.531 41.694 -1.163 1
1 125 . 19 1 1 A 19 19 TYR N N 19 117.278 120.687 -3.409 1
1 126 . 19 1 1 A 20 20 MET H H 20 9.743 9.292 0.451 1
1 127 . 19 1 1 A 20 20 MET HA H 20 5.207 5.220 -0.013 1
1 135 . 19 1 1 A 20 20 MET C C 20 175.349 175.110 0.239 1
1 136 . 19 1 1 A 20 20 MET CA C 20 54.611 54.162 0.449 1
1 137 . 19 1 1 A 20 20 MET CB C 20 37.352 35.886 1.466 1
1 140 . 19 1 1 A 20 20 MET N N 20 120.128 121.028 -0.900 1
1 141 . 19 1 1 A 21 21 TRP H H 21 8.142 8.405 -0.263 1
1 142 . 19 1 1 A 21 21 TRP HA H 21 4.084 3.435 0.649 1
1 150 . 19 1 1 A 21 21 TRP C C 21 174.752 174.656 0.096 1
1 151 . 19 1 1 A 21 21 TRP CA C 21 56.246 57.174 -0.928 1
1 152 . 19 1 1 A 21 21 TRP CB C 21 29.682 29.202 0.480 1
1 157 . 19 1 1 A 21 21 TRP N N 21 126.799 125.692 1.107 1
1 159 . 19 1 1 A 22 22 ASP H H 22 8.034 7.923 0.111 1
1 160 . 19 1 1 A 22 22 ASP HA H 22 4.417 4.227 0.190 1
1 163 . 19 1 1 A 22 22 ASP C C 22 175.814 176.132 -0.318 1
1 164 . 19 1 1 A 22 22 ASP CA C 22 52.020 52.530 -0.510 1
1 165 . 19 1 1 A 22 22 ASP CB C 22 41.748 40.209 1.539 1
1 166 . 19 1 1 A 22 22 ASP N N 22 129.313 128.946 0.367 1
1 167 . 19 1 1 A 23 23 SER H H 23 8.331 8.434 -0.103 1
1 168 . 19 1 1 A 23 23 SER HA H 23 3.719 3.824 -0.105 1
1 171 . 19 1 1 A 23 23 SER C C 23 175.145 175.095 0.050 1
1 172 . 19 1 1 A 23 23 SER CA C 23 59.732 60.279 -0.547 1
1 173 . 19 1 1 A 23 23 SER CB C 23 63.304 62.824 0.480 1
1 174 . 19 1 1 A 23 23 SER N N 23 119.796 119.992 -0.196 1
1 175 . 19 1 1 A 24 24 ILE H H 24 8.044 7.484 0.560 1
1 176 . 19 1 1 A 24 24 ILE HA H 24 3.849 3.802 0.047 1
1 186 . 19 1 1 A 24 24 ILE C C 24 177.615 176.770 0.845 1
1 187 . 19 1 1 A 24 24 ILE CA C 24 63.257 63.832 -0.575 1
1 188 . 19 1 1 A 24 24 ILE CB C 24 36.400 37.925 -1.525 1
1 192 . 19 1 1 A 24 24 ILE N N 24 124.085 121.045 3.040 1
1 193 . 19 1 1 A 25 25 ASP H H 25 7.641 8.041 -0.400 1
1 194 . 19 1 1 A 25 25 ASP HA H 25 4.492 4.624 -0.132 1
1 197 . 19 1 1 A 25 25 ASP C C 25 175.486 175.213 0.273 1
1 198 . 19 1 1 A 25 25 ASP CA C 25 54.313 53.713 0.600 1
1 199 . 19 1 1 A 25 25 ASP CB C 25 40.789 40.974 -0.185 1
1 200 . 19 1 1 A 25 25 ASP N N 25 118.371 118.252 0.119 1
1 201 . 19 1 1 A 26 26 GLN H H 26 7.340 7.462 -0.122 1
1 202 . 19 1 1 A 26 26 GLN HA H 26 2.828 3.287 -0.459 1
1 209 . 19 1 1 A 26 26 GLN C C 26 173.882 174.411 -0.529 1
1 210 . 19 1 1 A 26 26 GLN CA C 26 55.956 56.432 -0.476 1
1 211 . 19 1 1 A 26 26 GLN CB C 26 25.070 26.719 -1.649 1
1 213 . 19 1 1 A 26 26 GLN N N 26 116.358 116.375 -0.017 1
1 215 . 19 1 1 A 27 27 LYS H H 27 6.283 6.417 -0.134 1
1 216 . 19 1 1 A 27 27 LYS HA H 27 4.395 4.883 -0.488 1
1 225 . 19 1 1 A 27 27 LYS C C 27 173.510 174.140 -0.630 1
1 226 . 19 1 1 A 27 27 LYS CA C 27 54.164 55.030 -0.866 1
1 227 . 19 1 1 A 27 27 LYS CB C 27 35.825 34.464 1.361 1
1 231 . 19 1 1 A 27 27 LYS N N 27 114.611 113.662 0.949 1
1 232 . 19 1 1 A 28 28 TRP H H 28 8.751 8.749 0.002 1
1 233 . 19 1 1 A 28 28 TRP HA H 28 5.383 5.698 -0.315 1
1 242 . 19 1 1 A 28 28 TRP C C 28 177.411 176.503 0.908 1
1 243 . 19 1 1 A 28 28 TRP CA C 28 55.957 55.378 0.579 1
1 244 . 19 1 1 A 28 28 TRP CB C 28 30.752 31.549 -0.797 1
1 250 . 19 1 1 A 28 28 TRP N N 28 121.520 119.409 2.111 1
1 252 . 19 1 1 A 29 29 THR H H 29 9.413 9.215 0.198 1
1 253 . 19 1 1 A 29 29 THR HA H 29 4.852 5.148 -0.296 1
1 258 . 19 1 1 A 29 29 THR C C 29 173.520 173.110 0.410 1
1 259 . 19 1 1 A 29 29 THR CA C 29 60.308 59.792 0.516 1
1 260 . 19 1 1 A 29 29 THR CB C 29 69.736 71.004 -1.268 1
1 262 . 19 1 1 A 29 29 THR N N 29 117.059 113.969 3.090 1
1 263 . 19 1 1 A 30 30 ARG H H 30 9.117 8.466 0.651 1
1 264 . 19 1 1 A 30 30 ARG HA H 30 4.790 4.235 0.555 1
1 272 . 19 1 1 A 30 30 ARG C C 30 174.447 174.861 -0.414 1
1 273 . 19 1 1 A 30 30 ARG CA C 30 55.949 54.824 1.125 1
1 274 . 19 1 1 A 30 30 ARG CB C 30 33.388 31.101 2.287 1
1 277 . 19 1 1 A 30 30 ARG N N 30 126.027 121.795 4.232 1
1 278 . 19 1 1 A 31 31 HIS H H 31 9.011 8.480 0.531 1
1 279 . 19 1 1 A 31 31 HIS HA H 31 4.636 5.091 -0.455 1
1 282 . 19 1 1 A 31 31 HIS C C 31 173.947 173.583 0.364 1
1 283 . 19 1 1 A 31 31 HIS CA C 31 55.185 54.535 0.650 1
1 284 . 19 1 1 A 31 31 HIS CB C 31 33.332 33.758 -0.426 1
1 285 . 19 1 1 A 31 31 HIS N N 31 121.017 124.385 -3.368 1
1 286 . 19 1 1 A 32 32 TYR H H 32 9.361 8.511 0.850 1
1 287 . 19 1 1 A 32 32 TYR HA H 32 4.745 5.215 -0.470 1
1 294 . 19 1 1 A 32 32 TYR C C 32 176.298 174.217 2.081 1
1 295 . 19 1 1 A 32 32 TYR CA C 32 59.316 55.998 3.318 1
1 296 . 19 1 1 A 32 32 TYR CB C 32 39.341 40.472 -1.131 1
1 301 . 19 1 1 A 32 32 TYR N N 32 124.440 123.153 1.287 1
1 302 . 19 1 1 A 33 33 CYS H H 33 8.750 8.467 0.283 1
1 303 . 19 1 1 A 33 33 CYS HA H 33 5.857 5.382 0.475 1
1 306 . 19 1 1 A 33 33 CYS C C 33 172.735 173.959 -1.224 1
1 307 . 19 1 1 A 33 33 CYS CA C 33 57.108 57.495 -0.387 1
1 308 . 19 1 1 A 33 33 CYS CB C 33 32.779 29.802 2.977 1
1 309 . 19 1 1 A 33 33 CYS N N 33 127.462 127.170 0.292 1
1 310 . 19 1 1 A 34 34 ALA H H 34 8.565 8.537 0.028 1
1 311 . 19 1 1 A 34 34 ALA HA H 34 5.290 4.974 0.316 1
1 315 . 19 1 1 A 34 34 ALA C C 34 176.215 175.819 0.396 1
1 316 . 19 1 1 A 34 34 ALA CA C 34 51.773 52.023 -0.250 1
1 317 . 19 1 1 A 34 34 ALA CB C 34 23.139 21.585 1.554 1
1 318 . 19 1 1 A 34 34 ALA N N 34 121.115 122.312 -1.197 1
1 319 . 19 1 1 A 35 35 ILE H H 35 8.413 8.986 -0.573 1
1 320 . 19 1 1 A 35 35 ILE HA H 35 5.275 4.880 0.395 1
1 330 . 19 1 1 A 35 35 ILE C C 35 175.768 174.999 0.769 1
1 331 . 19 1 1 A 35 35 ILE CA C 35 60.105 60.370 -0.265 1
1 332 . 19 1 1 A 35 35 ILE CB C 35 39.737 38.328 1.409 1
1 336 . 19 1 1 A 35 35 ILE N N 35 120.176 124.061 -3.885 1
1 337 . 19 1 1 A 36 36 ALA H H 36 8.666 8.705 -0.039 1
1 338 . 19 1 1 A 36 36 ALA HA H 36 4.581 4.699 -0.118 1
1 342 . 19 1 1 A 36 36 ALA CA C 36 52.028 50.910 1.118 1
1 343 . 19 1 1 A 36 36 ALA CB C 36 21.365 21.243 0.122 1
1 344 . 19 1 1 A 36 36 ALA N N 36 129.732 128.626 1.106 1
1 345 . 19 1 1 A 37 37 ASP H H 37 9.379 8.878 0.501 1
1 346 . 19 1 1 A 37 37 ASP HA H 37 4.228 4.217 0.011 1
1 349 . 19 1 1 A 37 37 ASP C C 37 174.579 175.617 -1.038 1
1 350 . 19 1 1 A 37 37 ASP CA C 37 55.822 56.497 -0.675 1
1 351 . 19 1 1 A 37 37 ASP CB C 37 39.784 39.493 0.291 1
1 352 . 19 1 1 A 37 37 ASP N N 37 124.926 120.702 4.224 1
1 353 . 19 1 1 A 38 38 ALA H H 38 8.710 8.346 0.364 1
1 354 . 19 1 1 A 38 38 ALA HA H 38 3.911 4.527 -0.616 1
1 358 . 19 1 1 A 38 38 ALA C C 38 174.866 176.654 -1.788 1
1 359 . 19 1 1 A 38 38 ALA CA C 38 53.040 51.670 1.370 1
1 360 . 19 1 1 A 38 38 ALA CB C 38 17.654 20.415 -2.761 1
1 361 . 19 1 1 A 38 38 ALA N N 38 115.547 123.019 -7.472 1
1 362 . 19 1 1 A 39 39 LYS H H 39 8.054 7.791 0.263 1
1 363 . 19 1 1 A 39 39 LYS HA H 39 5.247 5.071 0.176 1
1 372 . 19 1 1 A 39 39 LYS C C 39 175.201 174.522 0.679 1
1 373 . 19 1 1 A 39 39 LYS CA C 39 54.583 54.676 -0.093 1
1 374 . 19 1 1 A 39 39 LYS CB C 39 34.824 35.836 -1.012 1
1 378 . 19 1 1 A 39 39 LYS N N 39 117.589 116.812 0.777 1
1 379 . 19 1 1 A 40 40 LEU H H 40 9.090 8.754 0.336 1
1 380 . 19 1 1 A 40 40 LEU HA H 40 5.353 5.128 0.225 1
1 390 . 19 1 1 A 40 40 LEU C C 40 175.382 175.142 0.240 1
1 391 . 19 1 1 A 40 40 LEU CA C 40 53.987 53.569 0.418 1
1 392 . 19 1 1 A 40 40 LEU CB C 40 45.718 44.666 1.052 1
1 396 . 19 1 1 A 40 40 LEU N N 40 126.300 126.181 0.119 1
1 397 . 19 1 1 A 41 41 SER H H 41 9.539 8.707 0.832 1
1 398 . 19 1 1 A 41 41 SER HA H 41 5.493 5.938 -0.445 1
1 401 . 19 1 1 A 41 41 SER C C 41 173.435 173.848 -0.413 1
1 402 . 19 1 1 A 41 41 SER CA C 41 56.816 56.849 -0.033 1
1 403 . 19 1 1 A 41 41 SER CB C 41 65.706 64.740 0.966 1
1 404 . 19 1 1 A 41 41 SER N N 41 123.399 121.707 1.692 1
1 405 . 19 1 1 A 42 42 PHE H H 42 8.344 8.497 -0.153 1
1 406 . 19 1 1 A 42 42 PHE HA H 42 5.888 5.608 0.280 1
1 414 . 19 1 1 A 42 42 PHE C C 42 175.198 174.819 0.379 1
1 415 . 19 1 1 A 42 42 PHE CA C 42 54.335 55.459 -1.124 1
1 416 . 19 1 1 A 42 42 PHE CB C 42 43.360 42.008 1.352 1
1 422 . 19 1 1 A 42 42 PHE N N 42 117.935 120.054 -2.119 1
1 423 . 19 1 1 A 43 43 SER H H 43 8.843 8.689 0.154 1
1 424 . 19 1 1 A 43 43 SER HA H 43 4.918 5.248 -0.330 1
1 427 . 19 1 1 A 43 43 SER C C 43 175.040 174.264 0.776 1
1 428 . 19 1 1 A 43 43 SER CA C 43 58.215 56.819 1.396 1
1 429 . 19 1 1 A 43 43 SER CB C 43 66.789 65.542 1.247 1
1 430 . 19 1 1 A 43 43 SER N N 43 117.280 115.442 1.838 1
1 431 . 19 1 1 A 44 44 ASP H H 44 8.818 8.462 0.356 1
1 432 . 19 1 1 A 44 44 ASP HA H 44 4.909 4.873 0.036 1
1 435 . 19 1 1 A 44 44 ASP C C 44 175.955 175.441 0.514 1
1 436 . 19 1 1 A 44 44 ASP CA C 44 54.815 53.788 1.027 1
1 437 . 19 1 1 A 44 44 ASP CB C 44 41.729 41.530 0.199 1
1 438 . 19 1 1 A 44 44 ASP N N 44 120.846 123.534 -2.688 1
1 439 . 19 1 1 A 45 45 ASP H H 45 8.726 8.664 0.062 1
1 440 . 19 1 1 A 45 45 ASP HA H 45 4.273 4.297 -0.024 1
1 443 . 19 1 1 A 45 45 ASP C C 45 177.889 178.004 -0.115 1
1 444 . 19 1 1 A 45 45 ASP CA C 45 54.145 55.011 -0.866 1
1 445 . 19 1 1 A 45 45 ASP CB C 45 41.329 40.822 0.507 1
1 446 . 19 1 1 A 45 45 ASP N N 45 120.848 122.058 -1.210 1
1 447 . 19 1 1 A 46 46 ILE H H 46 8.369 8.459 -0.090 1
1 448 . 19 1 1 A 46 46 ILE HA H 46 4.079 3.823 0.256 1
1 458 . 19 1 1 A 46 46 ILE C C 46 177.339 176.753 0.586 1
1 459 . 19 1 1 A 46 46 ILE CA C 46 62.357 63.801 -1.444 1
1 460 . 19 1 1 A 46 46 ILE CB C 46 38.708 37.651 1.057 1
1 464 . 19 1 1 A 46 46 ILE N N 46 123.832 123.583 0.249 1
1 465 . 19 1 1 A 47 47 GLU H H 47 8.577 8.003 0.574 1
1 466 . 19 1 1 A 47 47 GLU HA H 47 4.258 4.635 -0.377 1
1 471 . 19 1 1 A 47 47 GLU C C 47 177.164 177.071 0.093 1
1 472 . 19 1 1 A 47 47 GLU CA C 47 57.249 56.737 0.512 1
1 473 . 19 1 1 A 47 47 GLU CB C 47 29.900 32.058 -2.158 1
1 475 . 19 1 1 A 47 47 GLU N N 47 122.294 119.086 3.208 1
1 476 . 19 1 1 A 48 48 GLN H H 48 7.894 7.825 0.069 1
1 477 . 19 1 1 A 48 48 GLN HA H 48 4.365 4.363 0.002 1
1 484 . 19 1 1 A 48 48 GLN C C 48 176.278 175.120 1.158 1
1 485 . 19 1 1 A 48 48 GLN CA C 48 55.830 54.680 1.150 1
1 486 . 19 1 1 A 48 48 GLN CB C 48 29.383 28.603 0.780 1
1 488 . 19 1 1 A 48 48 GLN N N 48 118.968 119.617 -0.649 1
1 490 . 19 1 1 A 49 49 THR H H 49 8.048 7.526 0.522 1
1 491 . 19 1 1 A 49 49 THR HA H 49 4.331 4.115 0.216 1
1 496 . 19 1 1 A 49 49 THR C C 49 174.784 174.719 0.065 1
1 497 . 19 1 1 A 49 49 THR CA C 49 62.135 62.482 -0.347 1
1 498 . 19 1 1 A 49 49 THR CB C 49 69.736 69.511 0.225 1
1 500 . 19 1 1 A 49 49 THR N N 49 114.601 113.454 1.147 1
1 501 . 19 1 1 A 50 50 MET H H 50 8.409 8.753 -0.344 1
1 502 . 19 1 1 A 50 50 MET HA H 50 4.510 4.607 -0.097 1
1 510 . 19 1 1 A 50 50 MET C C 50 176.451 176.607 -0.156 1
1 511 . 19 1 1 A 50 50 MET CA C 50 55.601 54.684 0.917 1
1 512 . 19 1 1 A 50 50 MET CB C 50 32.850 31.657 1.193 1
1 515 . 19 1 1 A 50 50 MET N N 50 122.660 123.794 -1.134 1
1 516 . 19 1 1 A 51 51 GLU H H 51 8.418 7.471 0.947 1
1 517 . 19 1 1 A 51 51 GLU HA H 51 4.272 4.401 -0.129 1
1 522 . 19 1 1 A 51 51 GLU C C 51 176.777 177.526 -0.749 1
1 523 . 19 1 1 A 51 51 GLU CA C 51 56.680 55.847 0.833 1
1 524 . 19 1 1 A 51 51 GLU CB C 51 30.262 30.523 -0.261 1
1 526 . 19 1 1 A 51 51 GLU N N 51 121.650 119.224 2.426 1
1 527 . 19 1 1 A 52 52 GLU H H 52 8.325 9.028 -0.703 1
1 528 . 19 1 1 A 52 52 GLU HA H 52 4.174 3.862 0.312 1
1 533 . 19 1 1 A 52 52 GLU C C 52 176.178 177.162 -0.984 1
1 534 . 19 1 1 A 52 52 GLU N N 52 120.869 123.854 -2.985 1
1 535 . 19 1 1 A 53 53 ASP H H 53 8.320 7.738 0.582 1
1 536 . 19 1 1 A 53 53 ASP HA H 53 4.527 4.732 -0.205 1
1 539 . 19 1 1 A 53 53 ASP C C 53 175.650 176.276 -0.626 1
1 540 . 19 1 1 A 53 53 ASP CA C 53 54.322 52.767 1.555 1
1 541 . 19 1 1 A 53 53 ASP CB C 53 41.040 40.136 0.904 1
1 542 . 19 1 1 A 53 53 ASP N N 53 119.656 115.481 4.175 1
1 543 . 19 1 1 A 54 54 ASN H H 54 8.134 8.099 0.035 1
1 544 . 19 1 1 A 54 54 ASN HA H 54 4.970 4.448 0.522 1
1 549 . 19 1 1 A 54 54 ASN CA C 54 51.120 53.925 -2.805 1
1 550 . 19 1 1 A 54 54 ASN CB C 54 39.125 36.928 2.197 1
1 551 . 19 1 1 A 54 54 ASN N N 54 118.436 117.322 1.114 1
1 553 . 19 1 1 A 55 55 PRO HA H 55 4.394 4.285 0.109 1
1 560 . 19 1 1 A 55 55 PRO C C 55 177.514 176.448 1.066 1
1 561 . 19 1 1 A 55 55 PRO CA C 55 63.910 65.532 -1.622 1
1 562 . 19 1 1 A 55 55 PRO CB C 55 32.077 31.555 0.522 1
1 565 . 19 1 1 A 56 56 LEU H H 56 8.181 7.675 0.506 1
1 566 . 19 1 1 A 56 56 LEU HA H 56 4.268 4.800 -0.532 1
1 576 . 19 1 1 A 56 56 LEU C C 56 178.176 175.945 2.231 1
1 577 . 19 1 1 A 56 56 LEU CA C 56 55.542 53.962 1.580 1
1 578 . 19 1 1 A 56 56 LEU CB C 56 41.783 44.819 -3.036 1
1 582 . 19 1 1 A 56 56 LEU N N 56 120.122 118.794 1.328 1
1 583 . 19 1 1 A 57 57 GLY H H 57 8.071 8.475 -0.404 1
1 584 . 19 1 1 A 57 57 GLY HA2 H 57 3.946 4.150 -0.204 1
1 585 . 19 1 1 A 57 57 GLY HA3 H 57 3.946 4.150 -0.204 1
1 586 . 19 1 1 A 57 57 GLY C C 57 174.306 172.488 1.818 1
1 587 . 19 1 1 A 57 57 GLY CA C 57 45.460 45.398 0.062 1
1 588 . 19 1 1 A 57 57 GLY N N 57 108.437 108.814 -0.377 1
1 589 . 19 1 1 A 58 58 SER H H 58 8.170 8.669 -0.499 1
1 590 . 19 1 1 A 58 58 SER HA H 58 4.460 4.627 -0.167 1
1 593 . 19 1 1 A 58 58 SER C C 58 174.785 175.069 -0.284 1
1 594 . 19 1 1 A 58 58 SER CA C 58 58.319 57.376 0.943 1
1 595 . 19 1 1 A 58 58 SER CB C 58 63.792 65.588 -1.796 1
1 596 . 19 1 1 A 58 58 SER N N 58 115.478 119.994 -4.516 1
1 597 . 19 1 1 A 59 59 LEU H H 59 8.278 8.732 -0.454 1
1 598 . 19 1 1 A 59 59 LEU HA H 59 4.384 4.147 0.237 1
1 608 . 19 1 1 A 59 59 LEU CA C 59 55.219 58.027 -2.808 1
1 609 . 19 1 1 A 59 59 LEU CB C 59 42.377 41.868 0.509 1
1 613 . 19 1 1 A 59 59 LEU N N 59 124.033 126.345 -2.312 1
1 614 . 19 1 1 A 60 60 CYS H H 60 8.331 7.965 0.366 1
1 615 . 19 1 1 A 60 60 CYS HA H 60 4.398 4.569 -0.171 1
1 618 . 19 1 1 A 60 60 CYS C C 60 174.142 174.458 -0.316 1
1 619 . 19 1 1 A 60 60 CYS CA C 60 58.505 57.351 1.154 1
1 620 . 19 1 1 A 60 60 CYS CB C 60 27.338 26.308 1.030 1
1 621 . 19 1 1 A 60 60 CYS N N 60 120.390 116.119 4.271 1
1 622 . 19 1 1 A 61 61 ARG H H 61 8.632 8.476 0.156 1
1 623 . 19 1 1 A 61 61 ARG HA H 61 4.337 4.102 0.235 1
1 630 . 19 1 1 A 61 61 ARG C C 61 176.096 175.904 0.192 1
1 631 . 19 1 1 A 61 61 ARG CA C 61 56.003 57.358 -1.355 1
1 632 . 19 1 1 A 61 61 ARG CB C 61 30.757 31.262 -0.505 1
1 635 . 19 1 1 A 61 61 ARG N N 61 125.869 127.870 -2.001 1
1 636 . 19 1 1 A 62 62 GLY H H 62 7.263 6.401 0.862 1
1 637 . 19 1 1 A 62 62 GLY HA2 H 62 3.008 3.351 -0.343 1
1 638 . 19 1 1 A 62 62 GLY HA3 H 62 3.875 3.822 0.053 1
1 639 . 19 1 1 A 62 62 GLY C C 62 170.609 171.061 -0.452 1
1 640 . 19 1 1 A 62 62 GLY CA C 62 44.808 45.008 -0.200 1
1 641 . 19 1 1 A 62 62 GLY N N 62 107.908 105.484 2.424 1
1 642 . 19 1 1 A 63 63 ILE H H 63 7.895 8.395 -0.500 1
1 643 . 19 1 1 A 63 63 ILE HA H 63 4.843 5.107 -0.264 1
1 653 . 19 1 1 A 63 63 ILE C C 63 175.450 174.927 0.523 1
1 654 . 19 1 1 A 63 63 ILE CA C 63 60.322 60.029 0.293 1
1 655 . 19 1 1 A 63 63 ILE CB C 63 41.957 41.287 0.670 1
1 659 . 19 1 1 A 63 63 ILE N N 63 117.987 122.294 -4.307 1
1 660 . 19 1 1 A 64 64 LEU H H 64 9.429 9.171 0.258 1
1 661 . 19 1 1 A 64 64 LEU HA H 64 4.916 4.666 0.250 1
1 671 . 19 1 1 A 64 64 LEU C C 64 176.136 177.598 -1.462 1
1 672 . 19 1 1 A 64 64 LEU CA C 64 53.059 54.268 -1.209 1
1 673 . 19 1 1 A 64 64 LEU CB C 64 43.788 41.542 2.246 1
1 677 . 19 1 1 A 64 64 LEU N N 64 127.063 127.583 -0.520 1
1 678 . 19 1 1 A 65 65 ASP H H 65 9.241 8.899 0.342 1
1 679 . 19 1 1 A 65 65 ASP HA H 65 4.818 4.362 0.456 1
1 682 . 19 1 1 A 65 65 ASP C C 65 177.925 176.965 0.960 1
1 683 . 19 1 1 A 65 65 ASP CA C 65 53.628 56.627 -2.999 1
1 684 . 19 1 1 A 65 65 ASP CB C 65 40.307 41.015 -0.708 1
1 685 . 19 1 1 A 65 65 ASP N N 65 122.728 125.976 -3.248 1
1 686 . 19 1 1 A 66 66 LEU H H 66 8.766 8.040 0.726 1
1 687 . 19 1 1 A 66 66 LEU HA H 66 4.212 4.168 0.044 1
1 697 . 19 1 1 A 66 66 LEU C C 66 177.167 176.548 0.619 1
1 698 . 19 1 1 A 66 66 LEU CA C 66 57.854 56.631 1.223 1
1 699 . 19 1 1 A 66 66 LEU CB C 66 41.006 40.015 0.991 1
1 703 . 19 1 1 A 66 66 LEU N N 66 126.997 116.341 10.656 1
1 704 . 19 1 1 A 67 67 ASN H H 67 8.585 8.392 0.193 1
1 705 . 19 1 1 A 67 67 ASN HA H 67 4.721 4.799 -0.078 1
1 710 . 19 1 1 A 67 67 ASN C C 67 176.583 175.179 1.404 1
1 711 . 19 1 1 A 67 67 ASN CA C 67 55.648 54.098 1.550 1
1 712 . 19 1 1 A 67 67 ASN CB C 67 38.464 39.258 -0.794 1
1 713 . 19 1 1 A 67 67 ASN N N 67 113.883 116.032 -2.149 1
1 715 . 19 1 1 A 68 68 THR H H 68 8.007 7.746 0.261 1
1 716 . 19 1 1 A 68 68 THR HA H 68 4.513 4.629 -0.116 1
1 721 . 19 1 1 A 68 68 THR C C 68 172.870 171.793 1.077 1
1 722 . 19 1 1 A 68 68 THR CA C 68 61.441 61.347 0.094 1
1 723 . 19 1 1 A 68 68 THR CB C 68 69.432 69.076 0.356 1
1 725 . 19 1 1 A 68 68 THR N N 68 108.340 113.247 -4.907 1
1 726 . 19 1 1 A 69 69 TYR H H 69 7.560 8.558 -0.998 1
1 727 . 19 1 1 A 69 69 TYR HA H 69 5.199 5.560 -0.361 1
1 734 . 19 1 1 A 69 69 TYR C C 69 174.283 174.642 -0.359 1
1 735 . 19 1 1 A 69 69 TYR CA C 69 57.848 56.352 1.496 1
1 736 . 19 1 1 A 69 69 TYR CB C 69 44.393 43.711 0.682 1
1 741 . 19 1 1 A 69 69 TYR N N 69 119.888 126.263 -6.375 1
1 742 . 19 1 1 A 70 70 ASN H H 70 9.116 9.250 -0.134 1
1 743 . 19 1 1 A 70 70 ASN HA H 70 5.162 5.446 -0.284 1
1 748 . 19 1 1 A 70 70 ASN C C 70 174.340 174.219 0.121 1
1 749 . 19 1 1 A 70 70 ASN CA C 70 52.364 52.568 -0.204 1
1 750 . 19 1 1 A 70 70 ASN CB C 70 42.062 42.777 -0.715 1
1 751 . 19 1 1 A 70 70 ASN N N 70 116.071 117.680 -1.609 1
1 753 . 19 1 1 A 71 71 VAL H H 71 8.564 9.026 -0.462 1
1 754 . 19 1 1 A 71 71 VAL HA H 71 5.766 4.835 0.931 1
1 762 . 19 1 1 A 71 71 VAL C C 71 173.261 175.782 -2.521 1
1 763 . 19 1 1 A 71 71 VAL CA C 71 59.076 62.086 -3.010 1
1 764 . 19 1 1 A 71 71 VAL CB C 71 34.982 32.729 2.253 1
1 767 . 19 1 1 A 71 71 VAL N N 71 120.784 124.714 -3.930 1
1 768 . 19 1 1 A 72 72 VAL H H 72 9.308 8.762 0.546 1
1 769 . 19 1 1 A 72 72 VAL HA H 72 4.806 4.701 0.105 1
1 777 . 19 1 1 A 72 72 VAL C C 72 175.047 174.048 0.999 1
1 778 . 19 1 1 A 72 72 VAL CA C 72 60.330 59.615 0.715 1
1 779 . 19 1 1 A 72 72 VAL CB C 72 36.467 34.908 1.559 1
1 782 . 19 1 1 A 72 72 VAL N N 72 125.272 121.622 3.650 1
1 783 . 19 1 1 A 73 73 LYS H H 73 8.793 8.216 0.577 1
1 784 . 19 1 1 A 73 73 LYS HA H 73 4.652 3.048 1.604 1
1 793 . 19 1 1 A 73 73 LYS C C 73 176.241 174.795 1.446 1
1 794 . 19 1 1 A 73 73 LYS CA C 73 55.799 55.471 0.328 1
1 795 . 19 1 1 A 73 73 LYS CB C 73 33.452 32.267 1.185 1
1 799 . 19 1 1 A 73 73 LYS N N 73 124.197 125.872 -1.675 1
1 800 . 19 1 1 A 74 74 ALA H H 74 8.172 8.327 -0.155 1
1 801 . 19 1 1 A 74 74 ALA HA H 74 4.849 4.262 0.587 1
1 805 . 19 1 1 A 74 74 ALA CA C 74 49.540 50.106 -0.566 1
1 806 . 19 1 1 A 74 74 ALA CB C 74 17.685 19.208 -1.523 1
1 807 . 19 1 1 A 74 74 ALA N N 74 128.026 129.924 -1.898 1
1 808 . 19 1 1 A 75 75 PRO HA H 75 4.351 4.315 0.036 1
1 815 . 19 1 1 A 75 75 PRO CA C 75 65.256 65.657 -0.401 1
1 816 . 19 1 1 A 75 75 PRO CB C 75 32.158 31.581 0.577 1
1 819 . 19 1 1 A 76 76 GLN H H 76 8.660 7.983 0.677 1
1 820 . 19 1 1 A 76 76 GLN HA H 76 4.561 4.124 0.437 1
1 825 . 19 1 1 A 76 76 GLN C C 76 176.426 176.808 -0.382 1
1 826 . 19 1 1 A 76 76 GLN CA C 76 55.168 56.862 -1.694 1
1 827 . 19 1 1 A 76 76 GLN CB C 76 28.925 28.648 0.277 1
1 829 . 19 1 1 A 76 76 GLN N N 76 116.110 116.788 -0.678 1
1 830 . 19 1 1 A 77 77 GLY H H 77 7.527 7.711 -0.184 1
1 831 . 19 1 1 A 77 77 GLY HA2 H 77 3.382 3.967 -0.585 1
1 832 . 19 1 1 A 77 77 GLY HA3 H 77 4.505 3.982 0.523 1
1 833 . 19 1 1 A 77 77 GLY C C 77 172.487 174.498 -2.011 1
1 834 . 19 1 1 A 77 77 GLY CA C 77 44.852 44.650 0.202 1
1 835 . 19 1 1 A 77 77 GLY N N 77 107.608 107.790 -0.182 1
1 836 . 19 1 1 A 78 78 LYS H H 78 8.123 8.593 -0.470 1
1 837 . 19 1 1 A 78 78 LYS HA H 78 4.191 4.436 -0.245 1
1 846 . 19 1 1 A 78 78 LYS C C 78 175.300 174.907 0.393 1
1 847 . 19 1 1 A 78 78 LYS CA C 78 56.737 57.456 -0.719 1
1 848 . 19 1 1 A 78 78 LYS CB C 78 35.900 35.070 0.830 1
1 852 . 19 1 1 A 78 78 LYS N N 78 117.756 122.212 -4.456 1
1 853 . 19 1 1 A 79 79 ASN H H 79 9.105 8.014 1.091 1
1 854 . 19 1 1 A 79 79 ASN HA H 79 4.099 4.791 -0.692 1
1 859 . 19 1 1 A 79 79 ASN C C 79 175.098 175.063 0.035 1
1 860 . 19 1 1 A 79 79 ASN CA C 79 54.563 51.763 2.800 1
1 861 . 19 1 1 A 79 79 ASN CB C 79 37.353 40.080 -2.727 1
1 862 . 19 1 1 A 79 79 ASN N N 79 120.643 115.805 4.838 1
1 864 . 19 1 1 A 80 80 GLN H H 80 8.608 8.672 -0.064 1
1 865 . 19 1 1 A 80 80 GLN HA H 80 3.648 3.861 -0.213 1
1 870 . 19 1 1 A 80 80 GLN C C 80 175.327 174.477 0.850 1
1 871 . 19 1 1 A 80 80 GLN CA C 80 57.975 57.237 0.738 1
1 872 . 19 1 1 A 80 80 GLN CB C 80 26.506 26.900 -0.394 1
1 874 . 19 1 1 A 80 80 GLN N N 80 108.385 121.090 -12.705 1
1 875 . 19 1 1 A 81 81 LYS H H 81 7.608 7.569 0.039 1
1 876 . 19 1 1 A 81 81 LYS HA H 81 4.325 4.630 -0.305 1
1 885 . 19 1 1 A 81 81 LYS C C 81 176.242 175.708 0.534 1
1 886 . 19 1 1 A 81 81 LYS CA C 81 54.186 54.287 -0.101 1
1 887 . 19 1 1 A 81 81 LYS CB C 81 33.385 35.120 -1.735 1
1 891 . 19 1 1 A 81 81 LYS N N 81 119.675 119.279 0.396 1
1 892 . 19 1 1 A 82 82 SER H H 82 7.692 8.288 -0.596 1
1 893 . 19 1 1 A 82 82 SER HA H 82 3.850 4.465 -0.615 1
1 896 . 19 1 1 A 82 82 SER C C 82 174.045 173.747 0.298 1
1 897 . 19 1 1 A 82 82 SER CA C 82 60.984 60.035 0.949 1
1 898 . 19 1 1 A 82 82 SER CB C 82 62.962 64.303 -1.341 1
1 899 . 19 1 1 A 82 82 SER N N 82 117.008 115.225 1.783 1
1 900 . 19 1 1 A 83 83 PHE H H 83 8.545 7.528 1.017 1
1 901 . 19 1 1 A 83 83 PHE HA H 83 4.921 4.967 -0.046 1
1 908 . 19 1 1 A 83 83 PHE C C 83 172.686 175.135 -2.449 1
1 909 . 19 1 1 A 83 83 PHE CA C 83 55.383 56.761 -1.378 1
1 910 . 19 1 1 A 83 83 PHE CB C 83 37.774 39.354 -1.580 1
1 915 . 19 1 1 A 83 83 PHE N N 83 124.073 116.512 7.561 1
1 916 . 19 1 1 A 84 84 VAL H H 84 8.420 8.740 -0.320 1
1 917 . 19 1 1 A 84 84 VAL HA H 84 5.348 5.011 0.337 1
1 925 . 19 1 1 A 84 84 VAL C C 84 175.816 174.822 0.994 1
1 926 . 19 1 1 A 84 84 VAL CA C 84 60.177 60.607 -0.430 1
1 927 . 19 1 1 A 84 84 VAL CB C 84 37.646 36.099 1.547 1
1 930 . 19 1 1 A 84 84 VAL N N 84 123.085 123.323 -0.238 1
1 931 . 19 1 1 A 85 85 PHE H H 85 8.812 8.881 -0.069 1
1 932 . 19 1 1 A 85 85 PHE HA H 85 5.510 5.293 0.217 1
1 940 . 19 1 1 A 85 85 PHE C C 85 171.610 175.450 -3.840 1
1 941 . 19 1 1 A 85 85 PHE CA C 85 55.360 55.764 -0.404 1
1 942 . 19 1 1 A 85 85 PHE CB C 85 41.424 43.274 -1.850 1
1 948 . 19 1 1 A 85 85 PHE N N 85 122.454 124.314 -1.860 1
1 949 . 19 1 1 A 86 86 ILE H H 86 9.406 8.896 0.510 1
1 950 . 19 1 1 A 86 86 ILE HA H 86 4.844 5.112 -0.268 1
1 960 . 19 1 1 A 86 86 ILE C C 86 175.559 174.689 0.870 1
1 961 . 19 1 1 A 86 86 ILE CA C 86 60.323 60.424 -0.101 1
1 962 . 19 1 1 A 86 86 ILE CB C 86 42.374 42.669 -0.295 1
1 966 . 19 1 1 A 86 86 ILE N N 86 120.483 120.396 0.087 1
1 967 . 19 1 1 A 87 87 LEU H H 87 9.450 9.328 0.122 1
1 968 . 19 1 1 A 87 87 LEU HA H 87 5.238 5.499 -0.261 1
1 978 . 19 1 1 A 87 87 LEU C C 87 175.145 175.860 -0.715 1
1 979 . 19 1 1 A 87 87 LEU CA C 87 52.778 53.526 -0.748 1
1 980 . 19 1 1 A 87 87 LEU CB C 87 40.657 43.317 -2.660 1
1 984 . 19 1 1 A 87 87 LEU N N 87 126.149 127.784 -1.635 1
1 985 . 19 1 1 A 88 88 GLU H H 88 9.120 9.071 0.049 1
1 986 . 19 1 1 A 88 88 GLU HA H 88 4.986 4.953 0.033 1
1 991 . 19 1 1 A 88 88 GLU CA C 88 52.677 52.655 0.022 1
1 992 . 19 1 1 A 88 88 GLU CB C 88 31.511 30.875 0.636 1
1 994 . 19 1 1 A 88 88 GLU N N 88 126.028 124.527 1.501 1
1 995 . 19 1 1 A 89 89 PRO HA H 89 4.239 3.971 0.268 1
1 1002 . 19 1 1 A 89 89 PRO C C 89 177.398 177.052 0.346 1
1 1003 . 19 1 1 A 89 89 PRO CA C 89 63.214 62.665 0.549 1
1 1004 . 19 1 1 A 89 89 PRO CB C 89 32.855 31.915 0.940 1
1 1007 . 19 1 1 A 90 90 LYS H H 90 8.166 8.776 -0.610 1
1 1008 . 19 1 1 A 90 90 LYS HA H 90 4.041 4.459 -0.418 1
1 1017 . 19 1 1 A 90 90 LYS C C 90 177.384 176.772 0.612 1
1 1018 . 19 1 1 A 90 90 LYS CA C 90 58.404 56.556 1.848 1
1 1019 . 19 1 1 A 90 90 LYS CB C 90 33.133 32.504 0.629 1
1 1023 . 19 1 1 A 90 90 LYS N N 90 121.350 120.820 0.530 1
1 1024 . 19 1 1 A 91 91 GLN H H 91 8.252 7.894 0.358 1
1 1025 . 19 1 1 A 91 91 GLN HA H 91 4.423 4.111 0.312 1
1 1032 . 19 1 1 A 91 91 GLN C C 91 175.039 175.592 -0.553 1
1 1033 . 19 1 1 A 91 91 GLN CA C 91 54.303 58.250 -3.947 1
1 1034 . 19 1 1 A 91 91 GLN CB C 91 29.208 29.291 -0.083 1
1 1036 . 19 1 1 A 91 91 GLN N N 91 118.759 120.385 -1.626 1
1 1038 . 19 1 1 A 92 92 GLN H H 92 8.460 8.060 0.400 1
1 1039 . 19 1 1 A 92 92 GLN HA H 92 4.057 4.555 -0.498 1
1 1044 . 19 1 1 A 92 92 GLN C C 92 177.080 175.827 1.253 1
1 1045 . 19 1 1 A 92 92 GLN CA C 92 57.446 54.684 2.762 1
1 1046 . 19 1 1 A 92 92 GLN CB C 92 28.472 29.179 -0.707 1
1 1048 . 19 1 1 A 92 92 GLN N N 92 124.928 113.438 11.490 1
1 1049 . 19 1 1 A 93 93 GLY H H 93 8.870 8.747 0.123 1
1 1050 . 19 1 1 A 93 93 GLY HA2 H 93 3.639 3.855 -0.216 1
1 1051 . 19 1 1 A 93 93 GLY HA3 H 93 4.338 3.858 0.480 1
1 1052 . 19 1 1 A 93 93 GLY C C 93 174.298 173.658 0.640 1
1 1053 . 19 1 1 A 93 93 GLY CA C 93 45.336 46.100 -0.764 1
1 1054 . 19 1 1 A 93 93 GLY N N 93 113.393 107.005 6.388 1
1 1055 . 19 1 1 A 94 94 ASP H H 94 7.546 7.326 0.220 1
1 1056 . 19 1 1 A 94 94 ASP HA H 94 5.056 4.760 0.296 1
1 1059 . 19 1 1 A 94 94 ASP CA C 94 52.662 52.693 -0.031 1
1 1060 . 19 1 1 A 94 94 ASP CB C 94 40.179 39.834 0.345 1
1 1061 . 19 1 1 A 94 94 ASP N N 94 123.111 119.681 3.430 1
1 1062 . 19 1 1 A 95 95 PRO HA H 95 4.933 4.709 0.224 1
1 1069 . 19 1 1 A 95 95 PRO CA C 95 61.243 61.434 -0.191 1
1 1070 . 19 1 1 A 95 95 PRO CB C 95 31.234 32.031 -0.797 1
1 1073 . 19 1 1 A 96 96 PRO HA H 96 5.190 5.002 0.188 1
1 1080 . 19 1 1 A 96 96 PRO C C 96 176.664 175.504 1.160 1
1 1081 . 19 1 1 A 96 96 PRO CA C 96 62.399 62.450 -0.051 1
1 1082 . 19 1 1 A 96 96 PRO CB C 96 32.850 32.974 -0.124 1
1 1085 . 19 1 1 A 97 97 VAL H H 97 8.448 8.267 0.181 1
1 1086 . 19 1 1 A 97 97 VAL HA H 97 4.145 4.703 -0.558 1
1 1094 . 19 1 1 A 97 97 VAL C C 97 174.020 174.694 -0.674 1
1 1095 . 19 1 1 A 97 97 VAL CA C 97 61.710 60.610 1.100 1
1 1096 . 19 1 1 A 97 97 VAL CB C 97 33.977 35.548 -1.571 1
1 1099 . 19 1 1 A 97 97 VAL N N 97 121.904 119.652 2.252 1
1 1100 . 19 1 1 A 98 98 GLU H H 98 8.599 8.628 -0.029 1
1 1101 . 19 1 1 A 98 98 GLU HA H 98 4.778 5.299 -0.521 1
1 1106 . 19 1 1 A 98 98 GLU C C 98 173.807 175.442 -1.635 1
1 1107 . 19 1 1 A 98 98 GLU CA C 98 55.674 54.975 0.699 1
1 1108 . 19 1 1 A 98 98 GLU CB C 98 30.827 32.796 -1.969 1
1 1110 . 19 1 1 A 98 98 GLU N N 98 126.577 125.876 0.701 1
1 1111 . 19 1 1 A 99 99 PHE H H 99 8.701 9.324 -0.623 1
1 1112 . 19 1 1 A 99 99 PHE HA H 99 5.773 5.925 -0.152 1
1 1120 . 19 1 1 A 99 99 PHE C C 99 174.648 174.868 -0.220 1
1 1121 . 19 1 1 A 99 99 PHE CA C 99 55.799 56.979 -1.180 1
1 1122 . 19 1 1 A 99 99 PHE CB C 99 44.025 44.297 -0.272 1
1 1128 . 19 1 1 A 99 99 PHE N N 99 120.755 120.861 -0.106 1
1 1129 . 19 1 1 A 100 100 ALA H H 100 8.737 8.799 -0.062 1
1 1130 . 19 1 1 A 100 100 ALA HA H 100 5.669 5.226 0.443 1
1 1134 . 19 1 1 A 100 100 ALA C C 100 176.491 176.356 0.135 1
1 1135 . 19 1 1 A 100 100 ALA CA C 100 49.850 51.541 -1.691 1
1 1136 . 19 1 1 A 100 100 ALA CB C 100 23.399 23.325 0.074 1
1 1137 . 19 1 1 A 100 100 ALA N N 100 118.211 122.084 -3.873 1
1 1138 . 19 1 1 A 101 101 THR H H 101 8.272 8.644 -0.372 1
1 1139 . 19 1 1 A 101 101 THR HA H 101 5.232 4.912 0.320 1
1 1144 . 19 1 1 A 101 101 THR C C 101 174.787 173.411 1.376 1
1 1145 . 19 1 1 A 101 101 THR CA C 101 59.068 60.356 -1.288 1
1 1146 . 19 1 1 A 101 101 THR CB C 101 70.089 72.415 -2.326 1
1 1148 . 19 1 1 A 101 101 THR N N 101 108.062 110.348 -2.286 1
1 1149 . 19 1 1 A 102 102 ASP H H 102 8.625 8.803 -0.178 1
1 1150 . 19 1 1 A 102 102 ASP HA H 102 5.009 4.908 0.101 1
1 1153 . 19 1 1 A 102 102 ASP C C 102 177.730 175.483 2.247 1
1 1154 . 19 1 1 A 102 102 ASP CA C 102 56.976 54.200 2.776 1
1 1155 . 19 1 1 A 102 102 ASP CB C 102 42.543 42.687 -0.144 1
1 1156 . 19 1 1 A 102 102 ASP N N 102 118.482 118.070 0.412 1
1 1157 . 19 1 1 A 103 103 ARG H H 103 8.208 7.501 0.707 1
1 1158 . 19 1 1 A 103 103 ARG HA H 103 4.772 4.894 -0.122 1
1 1165 . 19 1 1 A 103 103 ARG C C 103 178.000 176.137 1.863 1
1 1166 . 19 1 1 A 103 103 ARG CA C 103 54.079 54.089 -0.010 1
1 1167 . 19 1 1 A 103 103 ARG CB C 103 33.914 34.712 -0.798 1
1 1170 . 19 1 1 A 103 103 ARG N N 103 116.043 117.929 -1.886 1
1 1171 . 19 1 1 A 104 104 VAL H H 104 8.516 8.704 -0.188 1
1 1172 . 19 1 1 A 104 104 VAL HA H 104 2.857 3.818 -0.961 1
1 1180 . 19 1 1 A 104 104 VAL C C 104 176.158 177.583 -1.425 1
1 1181 . 19 1 1 A 104 104 VAL CA C 104 64.625 64.972 -0.347 1
1 1182 . 19 1 1 A 104 104 VAL CB C 104 30.883 31.424 -0.541 1
1 1185 . 19 1 1 A 104 104 VAL N N 104 128.496 122.087 6.409 1
1 1186 . 19 1 1 A 105 105 GLU H H 105 9.414 8.187 1.227 1
1 1187 . 19 1 1 A 105 105 GLU HA H 105 3.989 4.102 -0.113 1
1 1192 . 19 1 1 A 105 105 GLU C C 105 179.982 179.376 0.606 1
1 1193 . 19 1 1 A 105 105 GLU CA C 105 60.599 59.603 0.996 1
1 1194 . 19 1 1 A 105 105 GLU CB C 105 27.973 29.610 -1.637 1
1 1196 . 19 1 1 A 105 105 GLU N N 105 121.934 121.901 0.033 1
1 1197 . 19 1 1 A 106 106 GLU H H 106 6.769 8.286 -1.517 1
1 1198 . 19 1 1 A 106 106 GLU HA H 106 4.370 4.079 0.291 1
1 1203 . 19 1 1 A 106 106 GLU C C 106 178.312 179.303 -0.991 1
1 1204 . 19 1 1 A 106 106 GLU CA C 106 58.503 59.269 -0.766 1
1 1205 . 19 1 1 A 106 106 GLU CB C 106 30.657 29.182 1.475 1
1 1207 . 19 1 1 A 106 106 GLU N N 106 116.721 120.787 -4.066 1
1 1208 . 19 1 1 A 107 107 LEU H H 107 7.161 7.573 -0.412 1
1 1209 . 19 1 1 A 107 107 LEU HA H 107 4.040 4.248 -0.208 1
1 1219 . 19 1 1 A 107 107 LEU C C 107 177.985 178.356 -0.371 1
1 1220 . 19 1 1 A 107 107 LEU CA C 107 58.930 58.252 0.678 1
1 1221 . 19 1 1 A 107 107 LEU CB C 107 40.058 42.124 -2.066 1
1 1225 . 19 1 1 A 107 107 LEU N N 107 122.171 122.287 -0.116 1
1 1226 . 19 1 1 A 108 108 PHE H H 108 7.986 8.323 -0.337 1
1 1227 . 19 1 1 A 108 108 PHE HA H 108 4.199 4.077 0.122 1
1 1234 . 19 1 1 A 108 108 PHE C C 108 178.069 178.075 -0.006 1
1 1235 . 19 1 1 A 108 108 PHE CA C 108 61.167 61.082 0.085 1
1 1236 . 19 1 1 A 108 108 PHE CB C 108 38.208 38.322 -0.114 1
1 1241 . 19 1 1 A 108 108 PHE N N 108 116.696 118.328 -1.632 1
1 1242 . 19 1 1 A 109 109 GLU H H 109 7.719 8.654 -0.935 1
1 1243 . 19 1 1 A 109 109 GLU HA H 109 3.951 4.038 -0.087 1
1 1248 . 19 1 1 A 109 109 GLU C C 109 179.858 178.934 0.924 1
1 1249 . 19 1 1 A 109 109 GLU CA C 109 59.664 59.072 0.592 1
1 1250 . 19 1 1 A 109 109 GLU CB C 109 29.923 29.566 0.357 1
1 1252 . 19 1 1 A 109 109 GLU N N 109 119.214 120.643 -1.429 1
1 1253 . 19 1 1 A 110 110 TRP H H 110 8.445 7.983 0.462 1
1 1254 . 19 1 1 A 110 110 TRP HA H 110 3.634 4.210 -0.576 1
1 1263 . 19 1 1 A 110 110 TRP C C 110 177.691 178.860 -1.169 1
1 1264 . 19 1 1 A 110 110 TRP CA C 110 62.078 60.209 1.869 1
1 1265 . 19 1 1 A 110 110 TRP CB C 110 29.275 28.679 0.596 1
1 1271 . 19 1 1 A 110 110 TRP N N 110 120.045 120.732 -0.687 1
1 1273 . 19 1 1 A 111 111 PHE H H 111 8.668 7.852 0.816 1
1 1274 . 19 1 1 A 111 111 PHE HA H 111 3.436 3.997 -0.561 1
1 1282 . 19 1 1 A 111 111 PHE C C 111 176.547 177.729 -1.182 1
1 1283 . 19 1 1 A 111 111 PHE CA C 111 62.182 61.286 0.896 1
1 1284 . 19 1 1 A 111 111 PHE CB C 111 39.904 37.145 2.759 1
1 1290 . 19 1 1 A 111 111 PHE N N 111 117.907 117.526 0.381 1
1 1291 . 19 1 1 A 112 112 GLN H H 112 8.254 7.982 0.272 1
1 1292 . 19 1 1 A 112 112 GLN HA H 112 3.685 3.935 -0.250 1
1 1299 . 19 1 1 A 112 112 GLN C C 112 178.503 178.511 -0.008 1
1 1300 . 19 1 1 A 112 112 GLN CA C 112 58.624 58.782 -0.158 1
1 1301 . 19 1 1 A 112 112 GLN CB C 112 27.980 28.553 -0.573 1
1 1303 . 19 1 1 A 112 112 GLN N N 112 116.394 121.244 -4.850 1
1 1305 . 19 1 1 A 113 113 SER H H 113 7.741 7.680 0.061 1
1 1306 . 19 1 1 A 113 113 SER HA H 113 4.036 4.456 -0.420 1
1 1309 . 19 1 1 A 113 113 SER C C 113 176.428 175.822 0.606 1
1 1310 . 19 1 1 A 113 113 SER CA C 113 62.062 62.432 -0.370 1
1 1311 . 19 1 1 A 113 113 SER CB C 113 62.655 62.998 -0.343 1
1 1312 . 19 1 1 A 113 113 SER N N 113 114.734 117.340 -2.606 1
1 1313 . 19 1 1 A 114 114 ILE H H 114 7.915 7.892 0.023 1
1 1314 . 19 1 1 A 114 114 ILE HA H 114 3.559 3.630 -0.071 1
1 1324 . 19 1 1 A 114 114 ILE C C 114 178.594 178.417 0.177 1
1 1325 . 19 1 1 A 114 114 ILE CA C 114 65.364 65.144 0.220 1
1 1326 . 19 1 1 A 114 114 ILE CB C 114 38.395 37.384 1.011 1
1 1330 . 19 1 1 A 114 114 ILE N N 114 119.893 121.218 -1.325 1
1 1331 . 19 1 1 A 115 115 ARG H H 115 8.581 7.930 0.651 1
1 1332 . 19 1 1 A 115 115 ARG HA H 115 3.881 4.191 -0.310 1
1 1339 . 19 1 1 A 115 115 ARG C C 115 177.921 179.374 -1.453 1
1 1340 . 19 1 1 A 115 115 ARG CA C 115 58.689 59.331 -0.642 1
1 1341 . 19 1 1 A 115 115 ARG CB C 115 29.134 29.697 -0.563 1
1 1344 . 19 1 1 A 115 115 ARG N N 115 123.090 121.146 1.944 1
1 1345 . 19 1 1 A 116 116 GLU H H 116 7.653 8.037 -0.384 1
1 1346 . 19 1 1 A 116 116 GLU HA H 116 3.959 4.131 -0.172 1
1 1351 . 19 1 1 A 116 116 GLU C C 116 178.178 177.755 0.423 1
1 1352 . 19 1 1 A 116 116 GLU CA C 116 58.767 58.902 -0.135 1
1 1353 . 19 1 1 A 116 116 GLU CB C 116 29.501 29.452 0.049 1
1 1355 . 19 1 1 A 116 116 GLU N N 116 116.356 119.159 -2.803 1
1 1356 . 19 1 1 A 117 117 ILE H H 117 7.334 7.573 -0.239 1
1 1357 . 19 1 1 A 117 117 ILE HA H 117 3.909 4.000 -0.091 1
1 1367 . 19 1 1 A 117 117 ILE C C 117 177.733 177.958 -0.225 1
1 1368 . 19 1 1 A 117 117 ILE CA C 117 63.443 63.311 0.132 1
1 1369 . 19 1 1 A 117 117 ILE CB C 117 39.059 38.734 0.325 1
1 1373 . 19 1 1 A 117 117 ILE N N 117 117.514 119.456 -1.942 1
1 1374 . 19 1 1 A 118 118 THR H H 118 8.075 7.444 0.631 1
1 1375 . 19 1 1 A 118 118 THR HA H 118 4.367 4.359 0.008 1
1 1380 . 19 1 1 A 118 118 THR C C 118 176.050 176.107 -0.057 1
1 1381 . 19 1 1 A 118 118 THR CA C 118 63.494 64.614 -1.120 1
1 1382 . 19 1 1 A 118 118 THR CB C 118 70.326 69.529 0.797 1
1 1384 . 19 1 1 A 118 118 THR N N 118 109.879 111.972 -2.093 1
1 1385 . 19 1 1 A 119 119 TRP H H 119 8.283 8.335 -0.052 1
1 1386 . 19 1 1 A 119 119 TRP HA H 119 4.792 4.252 0.540 1
1 1395 . 19 1 1 A 119 119 TRP C C 119 175.855 175.905 -0.050 1
1 1396 . 19 1 1 A 119 119 TRP CA C 119 57.464 60.426 -2.962 1
1 1397 . 19 1 1 A 119 119 TRP CB C 119 29.488 29.912 -0.424 1
1 1403 . 19 1 1 A 119 119 TRP N N 119 124.034 123.979 0.055 1
1 1405 . 19 1 1 A 120 120 LYS H H 120 7.723 7.708 0.015 1
1 1406 . 19 1 1 A 120 120 LYS HA H 120 4.198 4.796 -0.598 1
1 1415 . 19 1 1 A 120 120 LYS C C 120 176.162 175.059 1.103 1
1 1416 . 19 1 1 A 120 120 LYS CA C 120 56.049 54.803 1.246 1
1 1417 . 19 1 1 A 120 120 LYS CB C 120 32.924 34.490 -1.566 1
1 1421 . 19 1 1 A 120 120 LYS N N 120 123.166 119.074 4.092 1
1 1422 . 19 1 1 A 121 121 ILE H H 121 7.874 8.855 -0.981 1
1 1423 . 19 1 1 A 121 121 ILE HA H 121 4.035 4.596 -0.561 1
1 1433 . 19 1 1 A 121 121 ILE C C 121 175.950 174.755 1.195 1
1 1434 . 19 1 1 A 121 121 ILE CA C 121 61.120 60.579 0.541 1
1 1435 . 19 1 1 A 121 121 ILE CB C 121 38.708 40.325 -1.617 1
1 1439 . 19 1 1 A 121 121 ILE N N 121 121.301 127.157 -5.856 1
1 1440 . 19 1 1 A 122 122 ASP H H 122 8.317 8.734 -0.417 1
1 1441 . 19 1 1 A 122 122 ASP HA H 122 4.677 4.901 -0.224 1
1 1444 . 19 1 1 A 122 122 ASP C C 122 176.278 176.282 -0.004 1
1 1445 . 19 1 1 A 122 122 ASP CA C 122 54.157 53.996 0.161 1
1 1446 . 19 1 1 A 122 122 ASP CB C 122 41.316 42.357 -1.041 1
1 1447 . 19 1 1 A 122 122 ASP N N 122 124.058 127.664 -3.606 1
1 1448 . 19 1 1 A 123 123 THR H H 123 8.003 8.295 -0.292 1
1 1449 . 19 1 1 A 123 123 THR HA H 123 4.307 4.803 -0.496 1
1 1454 . 19 1 1 A 123 123 THR C C 123 173.831 174.312 -0.481 1
1 1455 . 19 1 1 A 123 123 THR CA C 123 61.715 60.187 1.528 1
1 1456 . 19 1 1 A 123 123 THR CB C 123 69.736 71.475 -1.739 1
1 1458 . 19 1 1 A 123 123 THR N N 123 114.853 112.197 2.656 1
1 2 . 20 1 1 A 9 9 LYS H H 9 8.338 8.897 -0.559 1
1 3 . 20 1 1 A 9 9 LYS C C 9 176.402 175.644 0.758 1
1 4 . 20 1 1 A 9 9 LYS N N 9 122.857 125.367 -2.510 1
1 5 . 20 1 1 A 10 10 ASP H H 10 8.335 8.863 -0.528 1
1 6 . 20 1 1 A 10 10 ASP HA H 10 4.562 4.925 -0.363 1
1 9 . 20 1 1 A 10 10 ASP C C 10 176.123 174.580 1.543 1
1 10 . 20 1 1 A 10 10 ASP CA C 10 54.344 55.778 -1.434 1
1 11 . 20 1 1 A 10 10 ASP CB C 10 41.227 43.780 -2.553 1
1 12 . 20 1 1 A 10 10 ASP N N 10 121.507 124.735 -3.228 1
1 13 . 20 1 1 A 11 11 GLU H H 11 8.231 8.083 0.148 1
1 14 . 20 1 1 A 11 11 GLU HA H 11 4.222 4.959 -0.737 1
1 19 . 20 1 1 A 11 11 GLU CA C 11 56.356 55.256 1.100 1
1 20 . 20 1 1 A 11 11 GLU CB C 11 30.439 31.695 -1.256 1
1 22 . 20 1 1 A 11 11 GLU N N 11 121.321 118.026 3.295 1
1 23 . 20 1 1 A 12 12 HIS H H 12 8.431 8.497 -0.066 1
1 24 . 20 1 1 A 12 12 HIS HA H 12 4.618 5.252 -0.634 1
1 28 . 20 1 1 A 12 12 HIS C C 12 174.980 172.917 2.063 1
1 29 . 20 1 1 A 12 12 HIS CA C 12 55.952 54.565 1.387 1
1 30 . 20 1 1 A 12 12 HIS CB C 12 30.058 32.522 -2.464 1
1 32 . 20 1 1 A 12 12 HIS N N 12 120.447 119.348 1.099 1
1 33 . 20 1 1 A 13 13 LYS H H 13 8.191 8.619 -0.428 1
1 34 . 20 1 1 A 13 13 LYS HA H 13 4.355 4.768 -0.413 1
1 43 . 20 1 1 A 13 13 LYS C C 13 175.327 174.344 0.983 1
1 44 . 20 1 1 A 13 13 LYS CA C 13 55.620 54.079 1.541 1
1 45 . 20 1 1 A 13 13 LYS CB C 13 33.729 36.856 -3.127 1
1 49 . 20 1 1 A 13 13 LYS N N 13 124.365 120.735 3.630 1
1 50 . 20 1 1 A 14 14 GLN H H 14 8.229 8.543 -0.314 1
1 51 . 20 1 1 A 14 14 GLN HA H 14 4.037 4.564 -0.527 1
1 58 . 20 1 1 A 14 14 GLN C C 14 173.432 174.688 -1.256 1
1 59 . 20 1 1 A 14 14 GLN CA C 14 54.613 54.530 0.083 1
1 60 . 20 1 1 A 14 14 GLN CB C 14 29.096 29.732 -0.636 1
1 62 . 20 1 1 A 14 14 GLN N N 14 123.823 122.156 1.667 1
1 64 . 20 1 1 A 15 15 GLN H H 15 7.896 8.395 -0.499 1
1 65 . 20 1 1 A 15 15 GLN HA H 15 5.459 5.215 0.244 1
1 70 . 20 1 1 A 15 15 GLN C C 15 174.263 175.290 -1.027 1
1 71 . 20 1 1 A 15 15 GLN CA C 15 54.506 54.450 0.056 1
1 72 . 20 1 1 A 15 15 GLN CB C 15 31.418 32.560 -1.142 1
1 74 . 20 1 1 A 15 15 GLN N N 15 121.452 125.783 -4.331 1
1 75 . 20 1 1 A 16 16 GLY H H 16 8.795 8.307 0.488 1
1 76 . 20 1 1 A 16 16 GLY HA2 H 16 4.056 4.320 -0.264 1
1 77 . 20 1 1 A 16 16 GLY HA3 H 16 4.801 4.532 0.269 1
1 78 . 20 1 1 A 16 16 GLY C C 16 171.456 171.575 -0.119 1
1 79 . 20 1 1 A 16 16 GLY CA C 16 44.773 46.329 -1.556 1
1 80 . 20 1 1 A 16 16 GLY N N 16 107.937 109.624 -1.687 1
1 81 . 20 1 1 A 17 17 GLU H H 17 8.718 8.643 0.075 1
1 82 . 20 1 1 A 17 17 GLU HA H 17 5.220 5.300 -0.080 1
1 87 . 20 1 1 A 17 17 GLU C C 17 176.562 175.438 1.124 1
1 88 . 20 1 1 A 17 17 GLU CA C 17 55.880 55.002 0.878 1
1 89 . 20 1 1 A 17 17 GLU CB C 17 30.995 33.004 -2.009 1
1 91 . 20 1 1 A 17 17 GLU N N 17 119.686 121.884 -2.198 1
1 92 . 20 1 1 A 18 18 LEU H H 18 8.806 8.896 -0.090 1
1 93 . 20 1 1 A 18 18 LEU HA H 18 4.652 4.806 -0.154 1
1 103 . 20 1 1 A 18 18 LEU C C 18 176.851 175.657 1.194 1
1 104 . 20 1 1 A 18 18 LEU CA C 18 53.786 52.975 0.811 1
1 105 . 20 1 1 A 18 18 LEU CB C 18 47.961 46.261 1.700 1
1 109 . 20 1 1 A 18 18 LEU N N 18 122.158 124.332 -2.174 1
1 110 . 20 1 1 A 19 19 TYR H H 19 8.833 8.373 0.460 1
1 111 . 20 1 1 A 19 19 TYR HA H 19 5.837 5.709 0.128 1
1 118 . 20 1 1 A 19 19 TYR C C 19 176.038 175.716 0.322 1
1 119 . 20 1 1 A 19 19 TYR CA C 19 56.750 56.788 -0.038 1
1 120 . 20 1 1 A 19 19 TYR CB C 19 40.531 41.474 -0.943 1
1 125 . 20 1 1 A 19 19 TYR N N 19 117.278 118.032 -0.754 1
1 126 . 20 1 1 A 20 20 MET H H 20 9.743 9.337 0.406 1
1 127 . 20 1 1 A 20 20 MET HA H 20 5.207 5.339 -0.132 1
1 135 . 20 1 1 A 20 20 MET C C 20 175.349 175.311 0.038 1
1 136 . 20 1 1 A 20 20 MET CA C 20 54.611 54.339 0.272 1
1 137 . 20 1 1 A 20 20 MET CB C 20 37.352 35.823 1.529 1
1 140 . 20 1 1 A 20 20 MET N N 20 120.128 122.112 -1.984 1
1 141 . 20 1 1 A 21 21 TRP H H 21 8.142 8.364 -0.222 1
1 142 . 20 1 1 A 21 21 TRP HA H 21 4.084 3.838 0.246 1
1 150 . 20 1 1 A 21 21 TRP C C 21 174.752 174.533 0.219 1
1 151 . 20 1 1 A 21 21 TRP CA C 21 56.246 58.257 -2.011 1
1 152 . 20 1 1 A 21 21 TRP CB C 21 29.682 29.772 -0.090 1
1 157 . 20 1 1 A 21 21 TRP N N 21 126.799 124.969 1.830 1
1 159 . 20 1 1 A 22 22 ASP H H 22 8.034 7.612 0.422 1
1 160 . 20 1 1 A 22 22 ASP HA H 22 4.417 4.564 -0.147 1
1 163 . 20 1 1 A 22 22 ASP C C 22 175.814 175.854 -0.040 1
1 164 . 20 1 1 A 22 22 ASP CA C 22 52.020 52.480 -0.460 1
1 165 . 20 1 1 A 22 22 ASP CB C 22 41.748 41.275 0.473 1
1 166 . 20 1 1 A 22 22 ASP N N 22 129.313 127.085 2.228 1
1 167 . 20 1 1 A 23 23 SER H H 23 8.331 8.347 -0.016 1
1 168 . 20 1 1 A 23 23 SER HA H 23 3.719 3.867 -0.148 1
1 171 . 20 1 1 A 23 23 SER C C 23 175.145 176.490 -1.345 1
1 172 . 20 1 1 A 23 23 SER CA C 23 59.732 60.542 -0.810 1
1 173 . 20 1 1 A 23 23 SER CB C 23 63.304 62.806 0.498 1
1 174 . 20 1 1 A 23 23 SER N N 23 119.796 118.287 1.509 1
1 175 . 20 1 1 A 24 24 ILE H H 24 8.044 7.466 0.578 1
1 176 . 20 1 1 A 24 24 ILE HA H 24 3.849 3.551 0.298 1
1 186 . 20 1 1 A 24 24 ILE C C 24 177.615 177.059 0.556 1
1 187 . 20 1 1 A 24 24 ILE CA C 24 63.257 65.362 -2.105 1
1 188 . 20 1 1 A 24 24 ILE CB C 24 36.400 38.020 -1.620 1
1 192 . 20 1 1 A 24 24 ILE N N 24 124.085 122.328 1.757 1
1 193 . 20 1 1 A 25 25 ASP H H 25 7.641 7.773 -0.132 1
1 194 . 20 1 1 A 25 25 ASP HA H 25 4.492 4.643 -0.151 1
1 197 . 20 1 1 A 25 25 ASP C C 25 175.486 175.125 0.361 1
1 198 . 20 1 1 A 25 25 ASP CA C 25 54.313 53.477 0.836 1
1 199 . 20 1 1 A 25 25 ASP CB C 25 40.789 41.399 -0.610 1
1 200 . 20 1 1 A 25 25 ASP N N 25 118.371 118.268 0.103 1
1 201 . 20 1 1 A 26 26 GLN H H 26 7.340 7.499 -0.159 1
1 202 . 20 1 1 A 26 26 GLN HA H 26 2.828 3.483 -0.655 1
1 209 . 20 1 1 A 26 26 GLN C C 26 173.882 174.573 -0.691 1
1 210 . 20 1 1 A 26 26 GLN CA C 26 55.956 56.617 -0.661 1
1 211 . 20 1 1 A 26 26 GLN CB C 26 25.070 26.689 -1.619 1
1 213 . 20 1 1 A 26 26 GLN N N 26 116.358 115.980 0.378 1
1 215 . 20 1 1 A 27 27 LYS H H 27 6.283 6.611 -0.328 1
1 216 . 20 1 1 A 27 27 LYS HA H 27 4.395 4.881 -0.486 1
1 225 . 20 1 1 A 27 27 LYS C C 27 173.510 174.243 -0.733 1
1 226 . 20 1 1 A 27 27 LYS CA C 27 54.164 55.099 -0.935 1
1 227 . 20 1 1 A 27 27 LYS CB C 27 35.825 34.175 1.650 1
1 231 . 20 1 1 A 27 27 LYS N N 27 114.611 113.780 0.831 1
1 232 . 20 1 1 A 28 28 TRP H H 28 8.751 8.803 -0.052 1
1 233 . 20 1 1 A 28 28 TRP HA H 28 5.383 5.602 -0.219 1
1 242 . 20 1 1 A 28 28 TRP C C 28 177.411 176.531 0.880 1
1 243 . 20 1 1 A 28 28 TRP CA C 28 55.957 55.630 0.327 1
1 244 . 20 1 1 A 28 28 TRP CB C 28 30.752 31.393 -0.641 1
1 250 . 20 1 1 A 28 28 TRP N N 28 121.520 119.692 1.828 1
1 252 . 20 1 1 A 29 29 THR H H 29 9.413 8.563 0.850 1
1 253 . 20 1 1 A 29 29 THR HA H 29 4.852 4.952 -0.100 1
1 258 . 20 1 1 A 29 29 THR C C 29 173.520 172.757 0.763 1
1 259 . 20 1 1 A 29 29 THR CA C 29 60.308 59.571 0.737 1
1 260 . 20 1 1 A 29 29 THR CB C 29 69.736 71.203 -1.467 1
1 262 . 20 1 1 A 29 29 THR N N 29 117.059 113.867 3.192 1
1 263 . 20 1 1 A 30 30 ARG H H 30 9.117 8.318 0.799 1
1 264 . 20 1 1 A 30 30 ARG HA H 30 4.790 4.037 0.753 1
1 272 . 20 1 1 A 30 30 ARG C C 30 174.447 174.692 -0.245 1
1 273 . 20 1 1 A 30 30 ARG CA C 30 55.949 54.767 1.182 1
1 274 . 20 1 1 A 30 30 ARG CB C 30 33.388 31.311 2.077 1
1 277 . 20 1 1 A 30 30 ARG N N 30 126.027 121.792 4.235 1
1 278 . 20 1 1 A 31 31 HIS H H 31 9.011 8.473 0.538 1
1 279 . 20 1 1 A 31 31 HIS HA H 31 4.636 4.870 -0.234 1
1 282 . 20 1 1 A 31 31 HIS C C 31 173.947 173.433 0.514 1
1 283 . 20 1 1 A 31 31 HIS CA C 31 55.185 54.848 0.337 1
1 284 . 20 1 1 A 31 31 HIS CB C 31 33.332 33.801 -0.469 1
1 285 . 20 1 1 A 31 31 HIS N N 31 121.017 123.493 -2.476 1
1 286 . 20 1 1 A 32 32 TYR H H 32 9.361 9.047 0.314 1
1 287 . 20 1 1 A 32 32 TYR HA H 32 4.745 5.064 -0.319 1
1 294 . 20 1 1 A 32 32 TYR C C 32 176.298 174.288 2.010 1
1 295 . 20 1 1 A 32 32 TYR CA C 32 59.316 56.707 2.609 1
1 296 . 20 1 1 A 32 32 TYR CB C 32 39.341 39.788 -0.447 1
1 301 . 20 1 1 A 32 32 TYR N N 32 124.440 123.382 1.058 1
1 302 . 20 1 1 A 33 33 CYS H H 33 8.750 8.647 0.103 1
1 303 . 20 1 1 A 33 33 CYS HA H 33 5.857 5.442 0.415 1
1 306 . 20 1 1 A 33 33 CYS C C 33 172.735 173.966 -1.231 1
1 307 . 20 1 1 A 33 33 CYS CA C 33 57.108 57.556 -0.448 1
1 308 . 20 1 1 A 33 33 CYS CB C 33 32.779 29.719 3.060 1
1 309 . 20 1 1 A 33 33 CYS N N 33 127.462 126.645 0.817 1
1 310 . 20 1 1 A 34 34 ALA H H 34 8.565 8.606 -0.041 1
1 311 . 20 1 1 A 34 34 ALA HA H 34 5.290 4.940 0.350 1
1 315 . 20 1 1 A 34 34 ALA C C 34 176.215 175.882 0.333 1
1 316 . 20 1 1 A 34 34 ALA CA C 34 51.773 52.054 -0.281 1
1 317 . 20 1 1 A 34 34 ALA CB C 34 23.139 21.862 1.277 1
1 318 . 20 1 1 A 34 34 ALA N N 34 121.115 122.814 -1.699 1
1 319 . 20 1 1 A 35 35 ILE H H 35 8.413 8.679 -0.266 1
1 320 . 20 1 1 A 35 35 ILE HA H 35 5.275 4.934 0.341 1
1 330 . 20 1 1 A 35 35 ILE C C 35 175.768 174.925 0.843 1
1 331 . 20 1 1 A 35 35 ILE CA C 35 60.105 60.600 -0.495 1
1 332 . 20 1 1 A 35 35 ILE CB C 35 39.737 38.363 1.374 1
1 336 . 20 1 1 A 35 35 ILE N N 35 120.176 123.880 -3.704 1
1 337 . 20 1 1 A 36 36 ALA H H 36 8.666 8.625 0.041 1
1 338 . 20 1 1 A 36 36 ALA HA H 36 4.581 4.763 -0.182 1
1 342 . 20 1 1 A 36 36 ALA CA C 36 52.028 50.535 1.493 1
1 343 . 20 1 1 A 36 36 ALA CB C 36 21.365 21.221 0.144 1
1 344 . 20 1 1 A 36 36 ALA N N 36 129.732 129.858 -0.126 1
1 345 . 20 1 1 A 37 37 ASP H H 37 9.379 8.902 0.477 1
1 346 . 20 1 1 A 37 37 ASP HA H 37 4.228 4.208 0.020 1
1 349 . 20 1 1 A 37 37 ASP C C 37 174.579 175.619 -1.040 1
1 350 . 20 1 1 A 37 37 ASP CA C 37 55.822 56.487 -0.665 1
1 351 . 20 1 1 A 37 37 ASP CB C 37 39.784 39.478 0.306 1
1 352 . 20 1 1 A 37 37 ASP N N 37 124.926 119.817 5.109 1
1 353 . 20 1 1 A 38 38 ALA H H 38 8.710 8.288 0.422 1
1 354 . 20 1 1 A 38 38 ALA HA H 38 3.911 4.515 -0.604 1
1 358 . 20 1 1 A 38 38 ALA C C 38 174.866 176.595 -1.729 1
1 359 . 20 1 1 A 38 38 ALA CA C 38 53.040 51.655 1.385 1
1 360 . 20 1 1 A 38 38 ALA CB C 38 17.654 20.702 -3.048 1
1 361 . 20 1 1 A 38 38 ALA N N 38 115.547 123.331 -7.784 1
1 362 . 20 1 1 A 39 39 LYS H H 39 8.054 7.846 0.208 1
1 363 . 20 1 1 A 39 39 LYS HA H 39 5.247 4.985 0.262 1
1 372 . 20 1 1 A 39 39 LYS C C 39 175.201 174.824 0.377 1
1 373 . 20 1 1 A 39 39 LYS CA C 39 54.583 54.633 -0.050 1
1 374 . 20 1 1 A 39 39 LYS CB C 39 34.824 35.724 -0.900 1
1 378 . 20 1 1 A 39 39 LYS N N 39 117.589 116.793 0.796 1
1 379 . 20 1 1 A 40 40 LEU H H 40 9.090 8.652 0.438 1
1 380 . 20 1 1 A 40 40 LEU HA H 40 5.353 5.116 0.237 1
1 390 . 20 1 1 A 40 40 LEU C C 40 175.382 174.991 0.391 1
1 391 . 20 1 1 A 40 40 LEU CA C 40 53.987 53.786 0.201 1
1 392 . 20 1 1 A 40 40 LEU CB C 40 45.718 45.473 0.245 1
1 396 . 20 1 1 A 40 40 LEU N N 40 126.300 124.372 1.928 1
1 397 . 20 1 1 A 41 41 SER H H 41 9.539 8.855 0.684 1
1 398 . 20 1 1 A 41 41 SER HA H 41 5.493 5.729 -0.236 1
1 401 . 20 1 1 A 41 41 SER C C 41 173.435 173.781 -0.346 1
1 402 . 20 1 1 A 41 41 SER CA C 41 56.816 56.917 -0.101 1
1 403 . 20 1 1 A 41 41 SER CB C 41 65.706 64.836 0.870 1
1 404 . 20 1 1 A 41 41 SER N N 41 123.399 121.844 1.555 1
1 405 . 20 1 1 A 42 42 PHE H H 42 8.344 8.455 -0.111 1
1 406 . 20 1 1 A 42 42 PHE HA H 42 5.888 5.583 0.305 1
1 414 . 20 1 1 A 42 42 PHE C C 42 175.198 174.045 1.153 1
1 415 . 20 1 1 A 42 42 PHE CA C 42 54.335 55.549 -1.214 1
1 416 . 20 1 1 A 42 42 PHE CB C 42 43.360 41.165 2.195 1
1 422 . 20 1 1 A 42 42 PHE N N 42 117.935 120.119 -2.184 1
1 423 . 20 1 1 A 43 43 SER H H 43 8.843 8.904 -0.061 1
1 424 . 20 1 1 A 43 43 SER HA H 43 4.918 5.156 -0.238 1
1 427 . 20 1 1 A 43 43 SER C C 43 175.040 173.867 1.173 1
1 428 . 20 1 1 A 43 43 SER CA C 43 58.215 57.364 0.851 1
1 429 . 20 1 1 A 43 43 SER CB C 43 66.789 64.649 2.140 1
1 430 . 20 1 1 A 43 43 SER N N 43 117.280 119.235 -1.955 1
1 431 . 20 1 1 A 44 44 ASP H H 44 8.818 7.951 0.867 1
1 432 . 20 1 1 A 44 44 ASP HA H 44 4.909 4.898 0.011 1
1 435 . 20 1 1 A 44 44 ASP C C 44 175.955 175.513 0.442 1
1 436 . 20 1 1 A 44 44 ASP CA C 44 54.815 53.822 0.993 1
1 437 . 20 1 1 A 44 44 ASP CB C 44 41.729 41.581 0.148 1
1 438 . 20 1 1 A 44 44 ASP N N 44 120.846 125.344 -4.498 1
1 439 . 20 1 1 A 45 45 ASP H H 45 8.726 8.531 0.195 1
1 440 . 20 1 1 A 45 45 ASP HA H 45 4.273 4.553 -0.280 1
1 443 . 20 1 1 A 45 45 ASP C C 45 177.889 177.551 0.338 1
1 444 . 20 1 1 A 45 45 ASP CA C 45 54.145 54.997 -0.852 1
1 445 . 20 1 1 A 45 45 ASP CB C 45 41.329 40.800 0.529 1
1 446 . 20 1 1 A 45 45 ASP N N 45 120.848 121.719 -0.871 1
1 447 . 20 1 1 A 46 46 ILE H H 46 8.369 8.598 -0.229 1
1 448 . 20 1 1 A 46 46 ILE HA H 46 4.079 4.359 -0.280 1
1 458 . 20 1 1 A 46 46 ILE C C 46 177.339 176.522 0.817 1
1 459 . 20 1 1 A 46 46 ILE CA C 46 62.357 61.160 1.197 1
1 460 . 20 1 1 A 46 46 ILE CB C 46 38.708 38.410 0.298 1
1 464 . 20 1 1 A 46 46 ILE N N 46 123.832 118.056 5.776 1
1 465 . 20 1 1 A 47 47 GLU H H 47 8.577 8.050 0.527 1
1 466 . 20 1 1 A 47 47 GLU HA H 47 4.258 4.515 -0.257 1
1 471 . 20 1 1 A 47 47 GLU C C 47 177.164 177.510 -0.346 1
1 472 . 20 1 1 A 47 47 GLU CA C 47 57.249 56.874 0.375 1
1 473 . 20 1 1 A 47 47 GLU CB C 47 29.900 31.896 -1.996 1
1 475 . 20 1 1 A 47 47 GLU N N 47 122.294 119.837 2.457 1
1 476 . 20 1 1 A 48 48 GLN H H 48 7.894 8.345 -0.451 1
1 477 . 20 1 1 A 48 48 GLN HA H 48 4.365 4.019 0.346 1
1 484 . 20 1 1 A 48 48 GLN C C 48 176.278 176.554 -0.276 1
1 485 . 20 1 1 A 48 48 GLN CA C 48 55.830 58.578 -2.748 1
1 486 . 20 1 1 A 48 48 GLN CB C 48 29.383 28.543 0.840 1
1 488 . 20 1 1 A 48 48 GLN N N 48 118.968 119.953 -0.985 1
1 490 . 20 1 1 A 49 49 THR H H 49 8.048 8.197 -0.149 1
1 491 . 20 1 1 A 49 49 THR HA H 49 4.331 4.153 0.178 1
1 496 . 20 1 1 A 49 49 THR C C 49 174.784 174.670 0.114 1
1 497 . 20 1 1 A 49 49 THR CA C 49 62.135 64.459 -2.324 1
1 498 . 20 1 1 A 49 49 THR CB C 49 69.736 68.366 1.370 1
1 500 . 20 1 1 A 49 49 THR N N 49 114.601 114.045 0.556 1
1 501 . 20 1 1 A 50 50 MET H H 50 8.409 8.129 0.280 1
1 502 . 20 1 1 A 50 50 MET HA H 50 4.510 4.192 0.318 1
1 510 . 20 1 1 A 50 50 MET C C 50 176.451 175.067 1.384 1
1 511 . 20 1 1 A 50 50 MET CA C 50 55.601 56.991 -1.390 1
1 512 . 20 1 1 A 50 50 MET CB C 50 32.850 31.485 1.365 1
1 515 . 20 1 1 A 50 50 MET N N 50 122.660 118.202 4.458 1
1 516 . 20 1 1 A 51 51 GLU H H 51 8.418 7.730 0.688 1
1 517 . 20 1 1 A 51 51 GLU HA H 51 4.272 4.547 -0.275 1
1 522 . 20 1 1 A 51 51 GLU C C 51 176.777 175.573 1.204 1
1 523 . 20 1 1 A 51 51 GLU CA C 51 56.680 55.392 1.288 1
1 524 . 20 1 1 A 51 51 GLU CB C 51 30.262 29.798 0.464 1
1 526 . 20 1 1 A 51 51 GLU N N 51 121.650 118.096 3.554 1
1 527 . 20 1 1 A 52 52 GLU H H 52 8.325 8.758 -0.433 1
1 528 . 20 1 1 A 52 52 GLU HA H 52 4.174 4.531 -0.357 1
1 533 . 20 1 1 A 52 52 GLU C C 52 176.178 176.133 0.045 1
1 534 . 20 1 1 A 52 52 GLU N N 52 120.869 123.430 -2.561 1
1 535 . 20 1 1 A 53 53 ASP H H 53 8.320 8.833 -0.513 1
1 536 . 20 1 1 A 53 53 ASP HA H 53 4.527 4.249 0.278 1
1 539 . 20 1 1 A 53 53 ASP C C 53 175.650 175.602 0.048 1
1 540 . 20 1 1 A 53 53 ASP CA C 53 54.322 55.825 -1.503 1
1 541 . 20 1 1 A 53 53 ASP CB C 53 41.040 39.281 1.759 1
1 542 . 20 1 1 A 53 53 ASP N N 53 119.656 117.454 2.202 1
1 543 . 20 1 1 A 54 54 ASN H H 54 8.134 7.963 0.171 1
1 544 . 20 1 1 A 54 54 ASN HA H 54 4.970 5.201 -0.231 1
1 549 . 20 1 1 A 54 54 ASN CA C 54 51.120 50.677 0.443 1
1 550 . 20 1 1 A 54 54 ASN CB C 54 39.125 39.561 -0.436 1
1 551 . 20 1 1 A 54 54 ASN N N 54 118.436 116.797 1.639 1
1 553 . 20 1 1 A 55 55 PRO HA H 55 4.394 4.883 -0.489 1
1 560 . 20 1 1 A 55 55 PRO C C 55 177.514 175.223 2.291 1
1 561 . 20 1 1 A 55 55 PRO CA C 55 63.910 62.328 1.582 1
1 562 . 20 1 1 A 55 55 PRO CB C 55 32.077 31.635 0.442 1
1 565 . 20 1 1 A 56 56 LEU H H 56 8.181 8.576 -0.395 1
1 566 . 20 1 1 A 56 56 LEU HA H 56 4.268 4.732 -0.464 1
1 576 . 20 1 1 A 56 56 LEU C C 56 178.176 174.732 3.444 1
1 577 . 20 1 1 A 56 56 LEU CA C 56 55.542 53.812 1.730 1
1 578 . 20 1 1 A 56 56 LEU CB C 56 41.783 45.088 -3.305 1
1 582 . 20 1 1 A 56 56 LEU N N 56 120.122 124.265 -4.143 1
1 583 . 20 1 1 A 57 57 GLY H H 57 8.071 8.467 -0.396 1
1 584 . 20 1 1 A 57 57 GLY HA2 H 57 3.946 4.363 -0.417 1
1 585 . 20 1 1 A 57 57 GLY HA3 H 57 3.946 4.367 -0.421 1
1 586 . 20 1 1 A 57 57 GLY C C 57 174.306 173.435 0.871 1
1 587 . 20 1 1 A 57 57 GLY CA C 57 45.460 44.915 0.545 1
1 588 . 20 1 1 A 57 57 GLY N N 57 108.437 110.481 -2.044 1
1 589 . 20 1 1 A 58 58 SER H H 58 8.170 8.738 -0.568 1
1 590 . 20 1 1 A 58 58 SER HA H 58 4.460 4.839 -0.379 1
1 593 . 20 1 1 A 58 58 SER C C 58 174.785 174.451 0.334 1
1 594 . 20 1 1 A 58 58 SER CA C 58 58.319 57.248 1.071 1
1 595 . 20 1 1 A 58 58 SER CB C 58 63.792 63.941 -0.149 1
1 596 . 20 1 1 A 58 58 SER N N 58 115.478 119.282 -3.804 1
1 597 . 20 1 1 A 59 59 LEU H H 59 8.278 8.073 0.205 1
1 598 . 20 1 1 A 59 59 LEU HA H 59 4.384 4.234 0.150 1
1 608 . 20 1 1 A 59 59 LEU CA C 59 55.219 57.522 -2.303 1
1 609 . 20 1 1 A 59 59 LEU CB C 59 42.377 41.574 0.803 1
1 613 . 20 1 1 A 59 59 LEU N N 59 124.033 120.271 3.762 1
1 614 . 20 1 1 A 60 60 CYS H H 60 8.331 8.337 -0.006 1
1 615 . 20 1 1 A 60 60 CYS HA H 60 4.398 4.293 0.105 1
1 618 . 20 1 1 A 60 60 CYS C C 60 174.142 174.927 -0.785 1
1 619 . 20 1 1 A 60 60 CYS CA C 60 58.505 59.444 -0.939 1
1 620 . 20 1 1 A 60 60 CYS CB C 60 27.338 27.390 -0.052 1
1 621 . 20 1 1 A 60 60 CYS N N 60 120.390 116.564 3.826 1
1 622 . 20 1 1 A 61 61 ARG H H 61 8.632 8.485 0.147 1
1 623 . 20 1 1 A 61 61 ARG HA H 61 4.337 4.232 0.105 1
1 630 . 20 1 1 A 61 61 ARG C C 61 176.096 175.784 0.312 1
1 631 . 20 1 1 A 61 61 ARG CA C 61 56.003 56.573 -0.570 1
1 632 . 20 1 1 A 61 61 ARG CB C 61 30.757 31.790 -1.033 1
1 635 . 20 1 1 A 61 61 ARG N N 61 125.869 125.854 0.015 1
1 636 . 20 1 1 A 62 62 GLY H H 62 7.263 6.780 0.483 1
1 637 . 20 1 1 A 62 62 GLY HA2 H 62 3.008 3.582 -0.574 1
1 638 . 20 1 1 A 62 62 GLY HA3 H 62 3.875 3.865 0.010 1
1 639 . 20 1 1 A 62 62 GLY C C 62 170.609 171.010 -0.401 1
1 640 . 20 1 1 A 62 62 GLY CA C 62 44.808 44.969 -0.161 1
1 641 . 20 1 1 A 62 62 GLY N N 62 107.908 105.577 2.331 1
1 642 . 20 1 1 A 63 63 ILE H H 63 7.895 8.384 -0.489 1
1 643 . 20 1 1 A 63 63 ILE HA H 63 4.843 5.216 -0.373 1
1 653 . 20 1 1 A 63 63 ILE C C 63 175.450 174.889 0.561 1
1 654 . 20 1 1 A 63 63 ILE CA C 63 60.322 59.620 0.702 1
1 655 . 20 1 1 A 63 63 ILE CB C 63 41.957 42.196 -0.239 1
1 659 . 20 1 1 A 63 63 ILE N N 63 117.987 121.341 -3.354 1
1 660 . 20 1 1 A 64 64 LEU H H 64 9.429 9.205 0.224 1
1 661 . 20 1 1 A 64 64 LEU HA H 64 4.916 4.716 0.200 1
1 671 . 20 1 1 A 64 64 LEU C C 64 176.136 176.432 -0.296 1
1 672 . 20 1 1 A 64 64 LEU CA C 64 53.059 53.886 -0.827 1
1 673 . 20 1 1 A 64 64 LEU CB C 64 43.788 41.868 1.920 1
1 677 . 20 1 1 A 64 64 LEU N N 64 127.063 126.757 0.306 1
1 678 . 20 1 1 A 65 65 ASP H H 65 9.241 9.117 0.124 1
1 679 . 20 1 1 A 65 65 ASP HA H 65 4.818 4.329 0.489 1
1 682 . 20 1 1 A 65 65 ASP C C 65 177.925 176.387 1.538 1
1 683 . 20 1 1 A 65 65 ASP CA C 65 53.628 57.168 -3.540 1
1 684 . 20 1 1 A 65 65 ASP CB C 65 40.307 40.410 -0.103 1
1 685 . 20 1 1 A 65 65 ASP N N 65 122.728 125.608 -2.880 1
1 686 . 20 1 1 A 66 66 LEU H H 66 8.766 7.969 0.797 1
1 687 . 20 1 1 A 66 66 LEU HA H 66 4.212 4.096 0.116 1
1 697 . 20 1 1 A 66 66 LEU C C 66 177.167 176.681 0.486 1
1 698 . 20 1 1 A 66 66 LEU CA C 66 57.854 56.534 1.320 1
1 699 . 20 1 1 A 66 66 LEU CB C 66 41.006 40.295 0.711 1
1 703 . 20 1 1 A 66 66 LEU N N 66 126.997 116.800 10.197 1
1 704 . 20 1 1 A 67 67 ASN H H 67 8.585 8.348 0.237 1
1 705 . 20 1 1 A 67 67 ASN HA H 67 4.721 4.930 -0.209 1
1 710 . 20 1 1 A 67 67 ASN C C 67 176.583 175.194 1.389 1
1 711 . 20 1 1 A 67 67 ASN CA C 67 55.648 53.735 1.913 1
1 712 . 20 1 1 A 67 67 ASN CB C 67 38.464 40.209 -1.745 1
1 713 . 20 1 1 A 67 67 ASN N N 67 113.883 115.780 -1.897 1
1 715 . 20 1 1 A 68 68 THR H H 68 8.007 7.796 0.211 1
1 716 . 20 1 1 A 68 68 THR HA H 68 4.513 4.641 -0.128 1
1 721 . 20 1 1 A 68 68 THR C C 68 172.870 172.039 0.831 1
1 722 . 20 1 1 A 68 68 THR CA C 68 61.441 61.097 0.344 1
1 723 . 20 1 1 A 68 68 THR CB C 68 69.432 69.379 0.053 1
1 725 . 20 1 1 A 68 68 THR N N 68 108.340 114.219 -5.879 1
1 726 . 20 1 1 A 69 69 TYR H H 69 7.560 8.219 -0.659 1
1 727 . 20 1 1 A 69 69 TYR HA H 69 5.199 5.445 -0.246 1
1 734 . 20 1 1 A 69 69 TYR C C 69 174.283 174.779 -0.496 1
1 735 . 20 1 1 A 69 69 TYR CA C 69 57.848 56.293 1.555 1
1 736 . 20 1 1 A 69 69 TYR CB C 69 44.393 43.617 0.776 1
1 741 . 20 1 1 A 69 69 TYR N N 69 119.888 125.206 -5.318 1
1 742 . 20 1 1 A 70 70 ASN H H 70 9.116 9.251 -0.135 1
1 743 . 20 1 1 A 70 70 ASN HA H 70 5.162 5.438 -0.276 1
1 748 . 20 1 1 A 70 70 ASN C C 70 174.340 174.185 0.155 1
1 749 . 20 1 1 A 70 70 ASN CA C 70 52.364 52.553 -0.189 1
1 750 . 20 1 1 A 70 70 ASN CB C 70 42.062 42.990 -0.928 1
1 751 . 20 1 1 A 70 70 ASN N N 70 116.071 117.664 -1.593 1
1 753 . 20 1 1 A 71 71 VAL H H 71 8.564 9.031 -0.467 1
1 754 . 20 1 1 A 71 71 VAL HA H 71 5.766 4.857 0.909 1
1 762 . 20 1 1 A 71 71 VAL C C 71 173.261 175.670 -2.409 1
1 763 . 20 1 1 A 71 71 VAL CA C 71 59.076 61.969 -2.893 1
1 764 . 20 1 1 A 71 71 VAL CB C 71 34.982 32.793 2.189 1
1 767 . 20 1 1 A 71 71 VAL N N 71 120.784 124.543 -3.759 1
1 768 . 20 1 1 A 72 72 VAL H H 72 9.308 8.734 0.574 1
1 769 . 20 1 1 A 72 72 VAL HA H 72 4.806 4.652 0.154 1
1 777 . 20 1 1 A 72 72 VAL C C 72 175.047 173.751 1.296 1
1 778 . 20 1 1 A 72 72 VAL CA C 72 60.330 59.446 0.884 1
1 779 . 20 1 1 A 72 72 VAL CB C 72 36.467 35.056 1.411 1
1 782 . 20 1 1 A 72 72 VAL N N 72 125.272 121.125 4.147 1
1 783 . 20 1 1 A 73 73 LYS H H 73 8.793 8.177 0.616 1
1 784 . 20 1 1 A 73 73 LYS HA H 73 4.652 2.927 1.725 1
1 793 . 20 1 1 A 73 73 LYS C C 73 176.241 174.580 1.661 1
1 794 . 20 1 1 A 73 73 LYS CA C 73 55.799 55.369 0.430 1
1 795 . 20 1 1 A 73 73 LYS CB C 73 33.452 32.365 1.087 1
1 799 . 20 1 1 A 73 73 LYS N N 73 124.197 125.062 -0.865 1
1 800 . 20 1 1 A 74 74 ALA H H 74 8.172 8.442 -0.270 1
1 801 . 20 1 1 A 74 74 ALA HA H 74 4.849 4.311 0.538 1
1 805 . 20 1 1 A 74 74 ALA CA C 74 49.540 50.093 -0.553 1
1 806 . 20 1 1 A 74 74 ALA CB C 74 17.685 19.331 -1.646 1
1 807 . 20 1 1 A 74 74 ALA N N 74 128.026 129.754 -1.728 1
1 808 . 20 1 1 A 75 75 PRO HA H 75 4.351 4.628 -0.277 1
1 815 . 20 1 1 A 75 75 PRO CA C 75 65.256 63.087 2.169 1
1 816 . 20 1 1 A 75 75 PRO CB C 75 32.158 32.526 -0.368 1
1 819 . 20 1 1 A 76 76 GLN H H 76 8.660 9.172 -0.512 1
1 820 . 20 1 1 A 76 76 GLN HA H 76 4.561 3.902 0.659 1
1 825 . 20 1 1 A 76 76 GLN C C 76 176.426 174.973 1.453 1
1 826 . 20 1 1 A 76 76 GLN CA C 76 55.168 56.839 -1.671 1
1 827 . 20 1 1 A 76 76 GLN CB C 76 28.925 27.865 1.060 1
1 829 . 20 1 1 A 76 76 GLN N N 76 116.110 120.465 -4.355 1
1 830 . 20 1 1 A 77 77 GLY H H 77 7.527 8.156 -0.629 1
1 831 . 20 1 1 A 77 77 GLY HA2 H 77 3.382 3.924 -0.542 1
1 832 . 20 1 1 A 77 77 GLY HA3 H 77 4.505 3.987 0.518 1
1 833 . 20 1 1 A 77 77 GLY C C 77 172.487 172.617 -0.130 1
1 834 . 20 1 1 A 77 77 GLY CA C 77 44.852 44.834 0.018 1
1 835 . 20 1 1 A 77 77 GLY N N 77 107.608 106.275 1.333 1
1 836 . 20 1 1 A 78 78 LYS H H 78 8.123 8.342 -0.219 1
1 837 . 20 1 1 A 78 78 LYS HA H 78 4.191 4.640 -0.449 1
1 846 . 20 1 1 A 78 78 LYS C C 78 175.300 175.942 -0.642 1
1 847 . 20 1 1 A 78 78 LYS CA C 78 56.737 55.641 1.096 1
1 848 . 20 1 1 A 78 78 LYS CB C 78 35.900 35.449 0.451 1
1 852 . 20 1 1 A 78 78 LYS N N 78 117.756 119.863 -2.107 1
1 853 . 20 1 1 A 79 79 ASN H H 79 9.105 8.922 0.183 1
1 854 . 20 1 1 A 79 79 ASN HA H 79 4.099 4.261 -0.162 1
1 859 . 20 1 1 A 79 79 ASN C C 79 175.098 174.996 0.102 1
1 860 . 20 1 1 A 79 79 ASN CA C 79 54.563 55.544 -0.981 1
1 861 . 20 1 1 A 79 79 ASN CB C 79 37.353 37.155 0.198 1
1 862 . 20 1 1 A 79 79 ASN N N 79 120.643 122.306 -1.663 1
1 864 . 20 1 1 A 80 80 GLN H H 80 8.608 8.631 -0.023 1
1 865 . 20 1 1 A 80 80 GLN HA H 80 3.648 4.486 -0.838 1
1 870 . 20 1 1 A 80 80 GLN C C 80 175.327 174.879 0.448 1
1 871 . 20 1 1 A 80 80 GLN CA C 80 57.975 55.618 2.357 1
1 872 . 20 1 1 A 80 80 GLN CB C 80 26.506 30.356 -3.850 1
1 874 . 20 1 1 A 80 80 GLN N N 80 108.385 116.468 -8.083 1
1 875 . 20 1 1 A 81 81 LYS H H 81 7.608 7.670 -0.062 1
1 876 . 20 1 1 A 81 81 LYS HA H 81 4.325 4.543 -0.218 1
1 885 . 20 1 1 A 81 81 LYS C C 81 176.242 176.043 0.199 1
1 886 . 20 1 1 A 81 81 LYS CA C 81 54.186 54.392 -0.206 1
1 887 . 20 1 1 A 81 81 LYS CB C 81 33.385 34.356 -0.971 1
1 891 . 20 1 1 A 81 81 LYS N N 81 119.675 119.422 0.253 1
1 892 . 20 1 1 A 82 82 SER H H 82 7.692 8.372 -0.680 1
1 893 . 20 1 1 A 82 82 SER HA H 82 3.850 4.431 -0.581 1
1 896 . 20 1 1 A 82 82 SER C C 82 174.045 174.093 -0.048 1
1 897 . 20 1 1 A 82 82 SER CA C 82 60.984 58.747 2.237 1
1 898 . 20 1 1 A 82 82 SER CB C 82 62.962 64.490 -1.528 1
1 899 . 20 1 1 A 82 82 SER N N 82 117.008 114.597 2.411 1
1 900 . 20 1 1 A 83 83 PHE H H 83 8.545 7.564 0.981 1
1 901 . 20 1 1 A 83 83 PHE HA H 83 4.921 5.262 -0.341 1
1 908 . 20 1 1 A 83 83 PHE C C 83 172.686 174.644 -1.958 1
1 909 . 20 1 1 A 83 83 PHE CA C 83 55.383 56.630 -1.247 1
1 910 . 20 1 1 A 83 83 PHE CB C 83 37.774 40.584 -2.810 1
1 915 . 20 1 1 A 83 83 PHE N N 83 124.073 116.941 7.132 1
1 916 . 20 1 1 A 84 84 VAL H H 84 8.420 8.826 -0.406 1
1 917 . 20 1 1 A 84 84 VAL HA H 84 5.348 5.283 0.065 1
1 925 . 20 1 1 A 84 84 VAL C C 84 175.816 174.763 1.053 1
1 926 . 20 1 1 A 84 84 VAL CA C 84 60.177 60.568 -0.391 1
1 927 . 20 1 1 A 84 84 VAL CB C 84 37.646 35.757 1.889 1
1 930 . 20 1 1 A 84 84 VAL N N 84 123.085 123.252 -0.167 1
1 931 . 20 1 1 A 85 85 PHE H H 85 8.812 8.895 -0.083 1
1 932 . 20 1 1 A 85 85 PHE HA H 85 5.510 5.168 0.342 1
1 940 . 20 1 1 A 85 85 PHE C C 85 171.610 174.501 -2.891 1
1 941 . 20 1 1 A 85 85 PHE CA C 85 55.360 56.120 -0.760 1
1 942 . 20 1 1 A 85 85 PHE CB C 85 41.424 41.014 0.410 1
1 948 . 20 1 1 A 85 85 PHE N N 85 122.454 124.793 -2.339 1
1 949 . 20 1 1 A 86 86 ILE H H 86 9.406 9.056 0.350 1
1 950 . 20 1 1 A 86 86 ILE HA H 86 4.844 5.132 -0.288 1
1 960 . 20 1 1 A 86 86 ILE C C 86 175.559 174.899 0.660 1
1 961 . 20 1 1 A 86 86 ILE CA C 86 60.323 60.159 0.164 1
1 962 . 20 1 1 A 86 86 ILE CB C 86 42.374 40.358 2.016 1
1 966 . 20 1 1 A 86 86 ILE N N 86 120.483 123.667 -3.184 1
1 967 . 20 1 1 A 87 87 LEU H H 87 9.450 9.196 0.254 1
1 968 . 20 1 1 A 87 87 LEU HA H 87 5.238 5.499 -0.261 1
1 978 . 20 1 1 A 87 87 LEU C C 87 175.145 175.693 -0.548 1
1 979 . 20 1 1 A 87 87 LEU CA C 87 52.778 53.322 -0.544 1
1 980 . 20 1 1 A 87 87 LEU CB C 87 40.657 43.753 -3.096 1
1 984 . 20 1 1 A 87 87 LEU N N 87 126.149 127.578 -1.429 1
1 985 . 20 1 1 A 88 88 GLU H H 88 9.120 9.184 -0.064 1
1 986 . 20 1 1 A 88 88 GLU HA H 88 4.986 4.957 0.029 1
1 991 . 20 1 1 A 88 88 GLU CA C 88 52.677 52.874 -0.197 1
1 992 . 20 1 1 A 88 88 GLU CB C 88 31.511 30.731 0.780 1
1 994 . 20 1 1 A 88 88 GLU N N 88 126.028 124.161 1.867 1
1 995 . 20 1 1 A 89 89 PRO HA H 89 4.239 3.900 0.339 1
1 1002 . 20 1 1 A 89 89 PRO C C 89 177.398 176.851 0.547 1
1 1003 . 20 1 1 A 89 89 PRO CA C 89 63.214 62.505 0.709 1
1 1004 . 20 1 1 A 89 89 PRO CB C 89 32.855 32.352 0.503 1
1 1007 . 20 1 1 A 90 90 LYS H H 90 8.166 8.707 -0.541 1
1 1008 . 20 1 1 A 90 90 LYS HA H 90 4.041 4.472 -0.431 1
1 1017 . 20 1 1 A 90 90 LYS C C 90 177.384 176.641 0.743 1
1 1018 . 20 1 1 A 90 90 LYS CA C 90 58.404 56.228 2.176 1
1 1019 . 20 1 1 A 90 90 LYS CB C 90 33.133 33.217 -0.084 1
1 1023 . 20 1 1 A 90 90 LYS N N 90 121.350 120.700 0.650 1
1 1024 . 20 1 1 A 91 91 GLN H H 91 8.252 7.786 0.466 1
1 1025 . 20 1 1 A 91 91 GLN HA H 91 4.423 4.082 0.341 1
1 1032 . 20 1 1 A 91 91 GLN C C 91 175.039 175.747 -0.708 1
1 1033 . 20 1 1 A 91 91 GLN CA C 91 54.303 58.404 -4.101 1
1 1034 . 20 1 1 A 91 91 GLN CB C 91 29.208 29.415 -0.207 1
1 1036 . 20 1 1 A 91 91 GLN N N 91 118.759 120.292 -1.533 1
1 1038 . 20 1 1 A 92 92 GLN H H 92 8.460 8.110 0.350 1
1 1039 . 20 1 1 A 92 92 GLN HA H 92 4.057 4.534 -0.477 1
1 1044 . 20 1 1 A 92 92 GLN C C 92 177.080 175.641 1.439 1
1 1045 . 20 1 1 A 92 92 GLN CA C 92 57.446 54.710 2.736 1
1 1046 . 20 1 1 A 92 92 GLN CB C 92 28.472 29.587 -1.115 1
1 1048 . 20 1 1 A 92 92 GLN N N 92 124.928 117.272 7.656 1
1 1049 . 20 1 1 A 93 93 GLY H H 93 8.870 8.535 0.335 1
1 1050 . 20 1 1 A 93 93 GLY HA2 H 93 3.639 3.881 -0.242 1
1 1051 . 20 1 1 A 93 93 GLY HA3 H 93 4.338 3.887 0.451 1
1 1052 . 20 1 1 A 93 93 GLY C C 93 174.298 174.639 -0.341 1
1 1053 . 20 1 1 A 93 93 GLY CA C 93 45.336 46.645 -1.309 1
1 1054 . 20 1 1 A 93 93 GLY N N 93 113.393 114.991 -1.598 1
1 1055 . 20 1 1 A 94 94 ASP H H 94 7.546 8.003 -0.457 1
1 1056 . 20 1 1 A 94 94 ASP HA H 94 5.056 4.631 0.425 1
1 1059 . 20 1 1 A 94 94 ASP CA C 94 52.662 52.881 -0.219 1
1 1060 . 20 1 1 A 94 94 ASP CB C 94 40.179 40.156 0.023 1
1 1061 . 20 1 1 A 94 94 ASP N N 94 123.111 120.304 2.807 1
1 1062 . 20 1 1 A 95 95 PRO HA H 95 4.933 4.697 0.236 1
1 1069 . 20 1 1 A 95 95 PRO CA C 95 61.243 61.412 -0.169 1
1 1070 . 20 1 1 A 95 95 PRO CB C 95 31.234 31.833 -0.599 1
1 1073 . 20 1 1 A 96 96 PRO HA H 96 5.190 5.033 0.157 1
1 1080 . 20 1 1 A 96 96 PRO C C 96 176.664 175.517 1.147 1
1 1081 . 20 1 1 A 96 96 PRO CA C 96 62.399 62.455 -0.056 1
1 1082 . 20 1 1 A 96 96 PRO CB C 96 32.850 32.955 -0.105 1
1 1085 . 20 1 1 A 97 97 VAL H H 97 8.448 8.279 0.169 1
1 1086 . 20 1 1 A 97 97 VAL HA H 97 4.145 4.711 -0.566 1
1 1094 . 20 1 1 A 97 97 VAL C C 97 174.020 174.826 -0.806 1
1 1095 . 20 1 1 A 97 97 VAL CA C 97 61.710 60.651 1.059 1
1 1096 . 20 1 1 A 97 97 VAL CB C 97 33.977 35.462 -1.485 1
1 1099 . 20 1 1 A 97 97 VAL N N 97 121.904 119.643 2.261 1
1 1100 . 20 1 1 A 98 98 GLU H H 98 8.599 8.658 -0.059 1
1 1101 . 20 1 1 A 98 98 GLU HA H 98 4.778 5.097 -0.319 1
1 1106 . 20 1 1 A 98 98 GLU C C 98 173.807 175.637 -1.830 1
1 1107 . 20 1 1 A 98 98 GLU CA C 98 55.674 55.090 0.584 1
1 1108 . 20 1 1 A 98 98 GLU CB C 98 30.827 32.331 -1.504 1
1 1110 . 20 1 1 A 98 98 GLU N N 98 126.577 126.338 0.239 1
1 1111 . 20 1 1 A 99 99 PHE H H 99 8.701 8.956 -0.255 1
1 1112 . 20 1 1 A 99 99 PHE HA H 99 5.773 5.942 -0.169 1
1 1120 . 20 1 1 A 99 99 PHE C C 99 174.648 174.895 -0.247 1
1 1121 . 20 1 1 A 99 99 PHE CA C 99 55.799 57.013 -1.214 1
1 1122 . 20 1 1 A 99 99 PHE CB C 99 44.025 44.331 -0.306 1
1 1128 . 20 1 1 A 99 99 PHE N N 99 120.755 121.531 -0.776 1
1 1129 . 20 1 1 A 100 100 ALA H H 100 8.737 8.942 -0.205 1
1 1130 . 20 1 1 A 100 100 ALA HA H 100 5.669 5.212 0.457 1
1 1134 . 20 1 1 A 100 100 ALA C C 100 176.491 176.370 0.121 1
1 1135 . 20 1 1 A 100 100 ALA CA C 100 49.850 51.607 -1.757 1
1 1136 . 20 1 1 A 100 100 ALA CB C 100 23.399 23.054 0.345 1
1 1137 . 20 1 1 A 100 100 ALA N N 100 118.211 121.954 -3.743 1
1 1138 . 20 1 1 A 101 101 THR H H 101 8.272 8.577 -0.305 1
1 1139 . 20 1 1 A 101 101 THR HA H 101 5.232 4.870 0.362 1
1 1144 . 20 1 1 A 101 101 THR C C 101 174.787 173.511 1.276 1
1 1145 . 20 1 1 A 101 101 THR CA C 101 59.068 60.405 -1.337 1
1 1146 . 20 1 1 A 101 101 THR CB C 101 70.089 72.239 -2.150 1
1 1148 . 20 1 1 A 101 101 THR N N 101 108.062 109.555 -1.493 1
1 1149 . 20 1 1 A 102 102 ASP H H 102 8.625 8.591 0.034 1
1 1150 . 20 1 1 A 102 102 ASP HA H 102 5.009 4.891 0.118 1
1 1153 . 20 1 1 A 102 102 ASP C C 102 177.730 175.333 2.397 1
1 1154 . 20 1 1 A 102 102 ASP CA C 102 56.976 53.785 3.191 1
1 1155 . 20 1 1 A 102 102 ASP CB C 102 42.543 42.800 -0.257 1
1 1156 . 20 1 1 A 102 102 ASP N N 102 118.482 118.219 0.263 1
1 1157 . 20 1 1 A 103 103 ARG H H 103 8.208 7.447 0.761 1
1 1158 . 20 1 1 A 103 103 ARG HA H 103 4.772 4.888 -0.116 1
1 1165 . 20 1 1 A 103 103 ARG C C 103 178.000 176.245 1.755 1
1 1166 . 20 1 1 A 103 103 ARG CA C 103 54.079 53.983 0.096 1
1 1167 . 20 1 1 A 103 103 ARG CB C 103 33.914 34.685 -0.771 1
1 1170 . 20 1 1 A 103 103 ARG N N 103 116.043 117.899 -1.856 1
1 1171 . 20 1 1 A 104 104 VAL H H 104 8.516 9.034 -0.518 1
1 1172 . 20 1 1 A 104 104 VAL HA H 104 2.857 3.396 -0.539 1
1 1180 . 20 1 1 A 104 104 VAL C C 104 176.158 177.445 -1.287 1
1 1181 . 20 1 1 A 104 104 VAL CA C 104 64.625 66.418 -1.793 1
1 1182 . 20 1 1 A 104 104 VAL CB C 104 30.883 31.552 -0.669 1
1 1185 . 20 1 1 A 104 104 VAL N N 104 128.496 121.971 6.525 1
1 1186 . 20 1 1 A 105 105 GLU H H 105 9.414 8.230 1.184 1
1 1187 . 20 1 1 A 105 105 GLU HA H 105 3.989 3.983 0.006 1
1 1192 . 20 1 1 A 105 105 GLU C C 105 179.982 179.558 0.424 1
1 1193 . 20 1 1 A 105 105 GLU CA C 105 60.599 59.684 0.915 1
1 1194 . 20 1 1 A 105 105 GLU CB C 105 27.973 29.194 -1.221 1
1 1196 . 20 1 1 A 105 105 GLU N N 105 121.934 118.905 3.029 1
1 1197 . 20 1 1 A 106 106 GLU H H 106 6.769 8.258 -1.489 1
1 1198 . 20 1 1 A 106 106 GLU HA H 106 4.370 4.064 0.306 1
1 1203 . 20 1 1 A 106 106 GLU C C 106 178.312 179.146 -0.834 1
1 1204 . 20 1 1 A 106 106 GLU CA C 106 58.503 59.225 -0.722 1
1 1205 . 20 1 1 A 106 106 GLU CB C 106 30.657 29.125 1.532 1
1 1207 . 20 1 1 A 106 106 GLU N N 106 116.721 120.642 -3.921 1
1 1208 . 20 1 1 A 107 107 LEU H H 107 7.161 7.559 -0.398 1
1 1209 . 20 1 1 A 107 107 LEU HA H 107 4.040 4.001 0.039 1
1 1219 . 20 1 1 A 107 107 LEU C C 107 177.985 178.505 -0.520 1
1 1220 . 20 1 1 A 107 107 LEU CA C 107 58.930 58.269 0.661 1
1 1221 . 20 1 1 A 107 107 LEU CB C 107 40.058 41.767 -1.709 1
1 1225 . 20 1 1 A 107 107 LEU N N 107 122.171 121.989 0.182 1
1 1226 . 20 1 1 A 108 108 PHE H H 108 7.986 8.157 -0.171 1
1 1227 . 20 1 1 A 108 108 PHE HA H 108 4.199 3.983 0.216 1
1 1234 . 20 1 1 A 108 108 PHE C C 108 178.069 177.361 0.708 1
1 1235 . 20 1 1 A 108 108 PHE CA C 108 61.167 61.425 -0.258 1
1 1236 . 20 1 1 A 108 108 PHE CB C 108 38.208 39.275 -1.067 1
1 1241 . 20 1 1 A 108 108 PHE N N 108 116.696 119.174 -2.478 1
1 1242 . 20 1 1 A 109 109 GLU H H 109 7.719 8.614 -0.895 1
1 1243 . 20 1 1 A 109 109 GLU HA H 109 3.951 3.990 -0.039 1
1 1248 . 20 1 1 A 109 109 GLU C C 109 179.858 179.025 0.833 1
1 1249 . 20 1 1 A 109 109 GLU CA C 109 59.664 59.468 0.196 1
1 1250 . 20 1 1 A 109 109 GLU CB C 109 29.923 29.118 0.805 1
1 1252 . 20 1 1 A 109 109 GLU N N 109 119.214 118.724 0.490 1
1 1253 . 20 1 1 A 110 110 TRP H H 110 8.445 8.262 0.183 1
1 1254 . 20 1 1 A 110 110 TRP HA H 110 3.634 4.254 -0.620 1
1 1263 . 20 1 1 A 110 110 TRP C C 110 177.691 179.070 -1.379 1
1 1264 . 20 1 1 A 110 110 TRP CA C 110 62.078 60.124 1.954 1
1 1265 . 20 1 1 A 110 110 TRP CB C 110 29.275 29.213 0.062 1
1 1271 . 20 1 1 A 110 110 TRP N N 110 120.045 120.603 -0.558 1
1 1273 . 20 1 1 A 111 111 PHE H H 111 8.668 7.543 1.125 1
1 1274 . 20 1 1 A 111 111 PHE HA H 111 3.436 4.115 -0.679 1
1 1282 . 20 1 1 A 111 111 PHE C C 111 176.547 177.650 -1.103 1
1 1283 . 20 1 1 A 111 111 PHE CA C 111 62.182 61.238 0.944 1
1 1284 . 20 1 1 A 111 111 PHE CB C 111 39.904 37.273 2.631 1
1 1290 . 20 1 1 A 111 111 PHE N N 111 117.907 117.731 0.176 1
1 1291 . 20 1 1 A 112 112 GLN H H 112 8.254 8.376 -0.122 1
1 1292 . 20 1 1 A 112 112 GLN HA H 112 3.685 3.849 -0.164 1
1 1299 . 20 1 1 A 112 112 GLN C C 112 178.503 178.008 0.495 1
1 1300 . 20 1 1 A 112 112 GLN CA C 112 58.624 58.808 -0.184 1
1 1301 . 20 1 1 A 112 112 GLN CB C 112 27.980 28.151 -0.171 1
1 1303 . 20 1 1 A 112 112 GLN N N 112 116.394 120.860 -4.466 1
1 1305 . 20 1 1 A 113 113 SER H H 113 7.741 7.880 -0.139 1
1 1306 . 20 1 1 A 113 113 SER HA H 113 4.036 4.150 -0.114 1
1 1309 . 20 1 1 A 113 113 SER C C 113 176.428 177.462 -1.034 1
1 1310 . 20 1 1 A 113 113 SER CA C 113 62.062 61.404 0.658 1
1 1311 . 20 1 1 A 113 113 SER CB C 113 62.655 62.390 0.265 1
1 1312 . 20 1 1 A 113 113 SER N N 113 114.734 115.455 -0.721 1
1 1313 . 20 1 1 A 114 114 ILE H H 114 7.915 7.600 0.315 1
1 1314 . 20 1 1 A 114 114 ILE HA H 114 3.559 3.655 -0.096 1
1 1324 . 20 1 1 A 114 114 ILE C C 114 178.594 178.374 0.220 1
1 1325 . 20 1 1 A 114 114 ILE CA C 114 65.364 65.104 0.260 1
1 1326 . 20 1 1 A 114 114 ILE CB C 114 38.395 37.529 0.866 1
1 1330 . 20 1 1 A 114 114 ILE N N 114 119.893 122.447 -2.554 1
1 1331 . 20 1 1 A 115 115 ARG H H 115 8.581 8.258 0.323 1
1 1332 . 20 1 1 A 115 115 ARG HA H 115 3.881 4.270 -0.389 1
1 1339 . 20 1 1 A 115 115 ARG C C 115 177.921 179.025 -1.104 1
1 1340 . 20 1 1 A 115 115 ARG CA C 115 58.689 59.610 -0.921 1
1 1341 . 20 1 1 A 115 115 ARG CB C 115 29.134 29.826 -0.692 1
1 1344 . 20 1 1 A 115 115 ARG N N 115 123.090 121.147 1.943 1
1 1345 . 20 1 1 A 116 116 GLU H H 116 7.653 8.143 -0.490 1
1 1346 . 20 1 1 A 116 116 GLU HA H 116 3.959 4.156 -0.197 1
1 1351 . 20 1 1 A 116 116 GLU C C 116 178.178 177.390 0.788 1
1 1352 . 20 1 1 A 116 116 GLU CA C 116 58.767 58.844 -0.077 1
1 1353 . 20 1 1 A 116 116 GLU CB C 116 29.501 29.624 -0.123 1
1 1355 . 20 1 1 A 116 116 GLU N N 116 116.356 119.048 -2.692 1
1 1356 . 20 1 1 A 117 117 ILE H H 117 7.334 7.671 -0.337 1
1 1357 . 20 1 1 A 117 117 ILE HA H 117 3.909 4.127 -0.218 1
1 1367 . 20 1 1 A 117 117 ILE C C 117 177.733 177.526 0.207 1
1 1368 . 20 1 1 A 117 117 ILE CA C 117 63.443 62.746 0.697 1
1 1369 . 20 1 1 A 117 117 ILE CB C 117 39.059 39.360 -0.301 1
1 1373 . 20 1 1 A 117 117 ILE N N 117 117.514 117.424 0.090 1
1 1374 . 20 1 1 A 118 118 THR H H 118 8.075 7.565 0.510 1
1 1375 . 20 1 1 A 118 118 THR HA H 118 4.367 4.489 -0.122 1
1 1380 . 20 1 1 A 118 118 THR C C 118 176.050 175.925 0.125 1
1 1381 . 20 1 1 A 118 118 THR CA C 118 63.494 63.882 -0.388 1
1 1382 . 20 1 1 A 118 118 THR CB C 118 70.326 69.713 0.613 1
1 1384 . 20 1 1 A 118 118 THR N N 118 109.879 112.608 -2.729 1
1 1385 . 20 1 1 A 119 119 TRP H H 119 8.283 8.322 -0.039 1
1 1386 . 20 1 1 A 119 119 TRP HA H 119 4.792 4.273 0.519 1
1 1395 . 20 1 1 A 119 119 TRP C C 119 175.855 175.831 0.024 1
1 1396 . 20 1 1 A 119 119 TRP CA C 119 57.464 60.275 -2.811 1
1 1397 . 20 1 1 A 119 119 TRP CB C 119 29.488 29.861 -0.373 1
1 1403 . 20 1 1 A 119 119 TRP N N 119 124.034 124.073 -0.039 1
1 1405 . 20 1 1 A 120 120 LYS H H 120 7.723 7.736 -0.013 1
1 1406 . 20 1 1 A 120 120 LYS HA H 120 4.198 4.797 -0.599 1
1 1415 . 20 1 1 A 120 120 LYS C C 120 176.162 174.914 1.248 1
1 1416 . 20 1 1 A 120 120 LYS CA C 120 56.049 54.959 1.090 1
1 1417 . 20 1 1 A 120 120 LYS CB C 120 32.924 34.795 -1.871 1
1 1421 . 20 1 1 A 120 120 LYS N N 120 123.166 119.204 3.962 1
1 1422 . 20 1 1 A 121 121 ILE H H 121 7.874 9.011 -1.137 1
1 1423 . 20 1 1 A 121 121 ILE HA H 121 4.035 4.810 -0.775 1
1 1433 . 20 1 1 A 121 121 ILE C C 121 175.950 174.620 1.330 1
1 1434 . 20 1 1 A 121 121 ILE CA C 121 61.120 60.699 0.421 1
1 1435 . 20 1 1 A 121 121 ILE CB C 121 38.708 39.688 -0.980 1
1 1439 . 20 1 1 A 121 121 ILE N N 121 121.301 127.453 -6.152 1
1 1440 . 20 1 1 A 122 122 ASP H H 122 8.317 8.587 -0.270 1
1 1441 . 20 1 1 A 122 122 ASP HA H 122 4.677 4.925 -0.248 1
1 1444 . 20 1 1 A 122 122 ASP C C 122 176.278 175.182 1.096 1
1 1445 . 20 1 1 A 122 122 ASP CA C 122 54.157 54.073 0.084 1
1 1446 . 20 1 1 A 122 122 ASP CB C 122 41.316 43.243 -1.927 1
1 1447 . 20 1 1 A 122 122 ASP N N 122 124.058 126.256 -2.198 1
1 1448 . 20 1 1 A 123 123 THR H H 123 8.003 8.596 -0.593 1
1 1449 . 20 1 1 A 123 123 THR HA H 123 4.307 4.580 -0.273 1
1 1454 . 20 1 1 A 123 123 THR C C 123 173.831 174.490 -0.659 1
1 1455 . 20 1 1 A 123 123 THR CA C 123 61.715 62.234 -0.519 1
1 1456 . 20 1 1 A 123 123 THR CB C 123 69.736 72.140 -2.404 1
1 1458 . 20 1 1 A 123 123 THR N N 123 114.853 120.499 -5.646 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 106 1.090 1
2 1 1 1 "RMS(OBS, PRED)" CA 113 1.291 1
3 1 1 1 "RMS(OBS, PRED)" CB 108 1.399 1
4 1 1 1 "RMS(OBS, PRED)" H 110 0.498 1
5 1 1 1 "RMS(OBS, PRED)" HA 119 0.389 1
6 1 1 1 "RMS(OBS, PRED)" N 110 2.971 1
7 1 2 1 "RMS(OBS, PRED)" C 106 1.106 1
8 1 2 1 "RMS(OBS, PRED)" CA 113 1.239 1
9 1 2 1 "RMS(OBS, PRED)" CB 108 1.514 1
10 1 2 1 "RMS(OBS, PRED)" H 110 0.485 1
11 1 2 1 "RMS(OBS, PRED)" HA 119 0.382 1
12 1 2 1 "RMS(OBS, PRED)" N 110 3.199 1
13 1 3 1 "RMS(OBS, PRED)" C 106 1.091 1
14 1 3 1 "RMS(OBS, PRED)" CA 113 1.222 1
15 1 3 1 "RMS(OBS, PRED)" CB 108 1.337 1
16 1 3 1 "RMS(OBS, PRED)" H 110 0.502 1
17 1 3 1 "RMS(OBS, PRED)" HA 119 0.374 1
18 1 3 1 "RMS(OBS, PRED)" N 110 3.145 1
19 1 4 1 "RMS(OBS, PRED)" C 106 1.077 1
20 1 4 1 "RMS(OBS, PRED)" CA 113 1.271 1
21 1 4 1 "RMS(OBS, PRED)" CB 108 1.444 1
22 1 4 1 "RMS(OBS, PRED)" H 110 0.513 1
23 1 4 1 "RMS(OBS, PRED)" HA 119 0.369 1
24 1 4 1 "RMS(OBS, PRED)" N 110 3.280 1
25 1 5 1 "RMS(OBS, PRED)" C 106 1.135 1
26 1 5 1 "RMS(OBS, PRED)" CA 113 1.284 1
27 1 5 1 "RMS(OBS, PRED)" CB 108 1.407 1
28 1 5 1 "RMS(OBS, PRED)" H 110 0.503 1
29 1 5 1 "RMS(OBS, PRED)" HA 119 0.367 1
30 1 5 1 "RMS(OBS, PRED)" N 110 3.361 1
31 1 6 1 "RMS(OBS, PRED)" C 106 1.015 1
32 1 6 1 "RMS(OBS, PRED)" CA 113 1.207 1
33 1 6 1 "RMS(OBS, PRED)" CB 108 1.402 1
34 1 6 1 "RMS(OBS, PRED)" H 110 0.495 1
35 1 6 1 "RMS(OBS, PRED)" HA 119 0.388 1
36 1 6 1 "RMS(OBS, PRED)" N 110 3.635 1
37 1 7 1 "RMS(OBS, PRED)" C 106 1.151 1
38 1 7 1 "RMS(OBS, PRED)" CA 113 1.274 1
39 1 7 1 "RMS(OBS, PRED)" CB 108 1.517 1
40 1 7 1 "RMS(OBS, PRED)" H 110 0.478 1
41 1 7 1 "RMS(OBS, PRED)" HA 119 0.406 1
42 1 7 1 "RMS(OBS, PRED)" N 110 3.218 1
43 1 8 1 "RMS(OBS, PRED)" C 106 1.067 1
44 1 8 1 "RMS(OBS, PRED)" CA 113 1.222 1
45 1 8 1 "RMS(OBS, PRED)" CB 108 1.370 1
46 1 8 1 "RMS(OBS, PRED)" H 110 0.500 1
47 1 8 1 "RMS(OBS, PRED)" HA 119 0.409 1
48 1 8 1 "RMS(OBS, PRED)" N 110 3.124 1
49 1 9 1 "RMS(OBS, PRED)" C 106 1.132 1
50 1 9 1 "RMS(OBS, PRED)" CA 113 1.230 1
51 1 9 1 "RMS(OBS, PRED)" CB 108 1.450 1
52 1 9 1 "RMS(OBS, PRED)" H 110 0.489 1
53 1 9 1 "RMS(OBS, PRED)" HA 119 0.406 1
54 1 9 1 "RMS(OBS, PRED)" N 110 3.129 1
55 1 10 1 "RMS(OBS, PRED)" C 106 1.121 1
56 1 10 1 "RMS(OBS, PRED)" CA 113 1.257 1
57 1 10 1 "RMS(OBS, PRED)" CB 108 1.432 1
58 1 10 1 "RMS(OBS, PRED)" H 110 0.505 1
59 1 10 1 "RMS(OBS, PRED)" HA 119 0.403 1
60 1 10 1 "RMS(OBS, PRED)" N 110 3.474 1
61 1 11 1 "RMS(OBS, PRED)" C 106 1.142 1
62 1 11 1 "RMS(OBS, PRED)" CA 113 1.203 1
63 1 11 1 "RMS(OBS, PRED)" CB 108 1.400 1
64 1 11 1 "RMS(OBS, PRED)" H 110 0.498 1
65 1 11 1 "RMS(OBS, PRED)" HA 119 0.390 1
66 1 11 1 "RMS(OBS, PRED)" N 110 3.496 1
67 1 12 1 "RMS(OBS, PRED)" C 106 1.095 1
68 1 12 1 "RMS(OBS, PRED)" CA 113 1.302 1
69 1 12 1 "RMS(OBS, PRED)" CB 108 1.481 1
70 1 12 1 "RMS(OBS, PRED)" H 110 0.518 1
71 1 12 1 "RMS(OBS, PRED)" HA 119 0.402 1
72 1 12 1 "RMS(OBS, PRED)" N 110 3.460 1
73 1 13 1 "RMS(OBS, PRED)" C 106 1.116 1
74 1 13 1 "RMS(OBS, PRED)" CA 113 1.225 1
75 1 13 1 "RMS(OBS, PRED)" CB 108 1.474 1
76 1 13 1 "RMS(OBS, PRED)" H 110 0.495 1
77 1 13 1 "RMS(OBS, PRED)" HA 119 0.389 1
78 1 13 1 "RMS(OBS, PRED)" N 110 3.165 1
79 1 14 1 "RMS(OBS, PRED)" C 106 1.069 1
80 1 14 1 "RMS(OBS, PRED)" CA 113 1.292 1
81 1 14 1 "RMS(OBS, PRED)" CB 108 1.345 1
82 1 14 1 "RMS(OBS, PRED)" H 110 0.495 1
83 1 14 1 "RMS(OBS, PRED)" HA 119 0.368 1
84 1 14 1 "RMS(OBS, PRED)" N 110 3.368 1
85 1 15 1 "RMS(OBS, PRED)" C 106 1.036 1
86 1 15 1 "RMS(OBS, PRED)" CA 113 1.255 1
87 1 15 1 "RMS(OBS, PRED)" CB 108 1.309 1
88 1 15 1 "RMS(OBS, PRED)" H 110 0.477 1
89 1 15 1 "RMS(OBS, PRED)" HA 119 0.379 1
90 1 15 1 "RMS(OBS, PRED)" N 110 3.287 1
91 1 16 1 "RMS(OBS, PRED)" C 106 1.052 1
92 1 16 1 "RMS(OBS, PRED)" CA 113 1.237 1
93 1 16 1 "RMS(OBS, PRED)" CB 108 1.366 1
94 1 16 1 "RMS(OBS, PRED)" H 110 0.500 1
95 1 16 1 "RMS(OBS, PRED)" HA 119 0.377 1
96 1 16 1 "RMS(OBS, PRED)" N 110 3.192 1
97 1 17 1 "RMS(OBS, PRED)" C 106 1.078 1
98 1 17 1 "RMS(OBS, PRED)" CA 113 1.331 1
99 1 17 1 "RMS(OBS, PRED)" CB 108 1.390 1
100 1 17 1 "RMS(OBS, PRED)" H 110 0.526 1
101 1 17 1 "RMS(OBS, PRED)" HA 119 0.413 1
102 1 17 1 "RMS(OBS, PRED)" N 110 3.297 1
103 1 18 1 "RMS(OBS, PRED)" C 106 1.094 1
104 1 18 1 "RMS(OBS, PRED)" CA 113 1.253 1
105 1 18 1 "RMS(OBS, PRED)" CB 108 1.419 1
106 1 18 1 "RMS(OBS, PRED)" H 110 0.511 1
107 1 18 1 "RMS(OBS, PRED)" HA 119 0.386 1
108 1 18 1 "RMS(OBS, PRED)" N 110 3.088 1
109 1 19 1 "RMS(OBS, PRED)" C 106 1.046 1
110 1 19 1 "RMS(OBS, PRED)" CA 113 1.256 1
111 1 19 1 "RMS(OBS, PRED)" CB 108 1.364 1
112 1 19 1 "RMS(OBS, PRED)" H 110 0.494 1
113 1 19 1 "RMS(OBS, PRED)" HA 119 0.385 1
114 1 19 1 "RMS(OBS, PRED)" N 110 3.440 1
115 1 20 1 "RMS(OBS, PRED)" C 106 1.084 1
116 1 20 1 "RMS(OBS, PRED)" CA 113 1.336 1
117 1 20 1 "RMS(OBS, PRED)" CB 108 1.431 1
118 1 20 1 "RMS(OBS, PRED)" H 110 0.472 1
119 1 20 1 "RMS(OBS, PRED)" HA 119 0.403 1
120 1 20 1 "RMS(OBS, PRED)" N 110 3.230 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 2 . 1 1 A 9 9 LYS H H 9 8.338 8.576 -0.238 2
1 3 . 1 1 A 9 9 LYS C C 9 176.402 175.487 0.915 2
1 4 . 1 1 A 9 9 LYS N N 9 122.857 121.189 1.668 2
1 5 . 1 1 A 10 10 ASP H H 10 8.335 8.502 -0.167 2
1 6 . 1 1 A 10 10 ASP HA H 10 4.562 4.860 -0.298 2
1 9 . 1 1 A 10 10 ASP C C 10 176.123 175.610 0.513 2
1 10 . 1 1 A 10 10 ASP CA C 10 54.344 53.966 0.378 2
1 11 . 1 1 A 10 10 ASP CB C 10 41.227 42.627 -1.400 2
1 12 . 1 1 A 10 10 ASP N N 10 121.507 121.520 -0.013 2
1 13 . 1 1 A 11 11 GLU H H 11 8.231 8.405 -0.174 2
1 14 . 1 1 A 11 11 GLU HA H 11 4.222 4.512 -0.290 2
1 19 . 1 1 A 11 11 GLU CA C 11 56.356 56.675 -0.319 2
1 20 . 1 1 A 11 11 GLU CB C 11 30.439 30.610 -0.171 2
1 22 . 1 1 A 11 11 GLU N N 11 121.321 120.591 0.730 2
1 23 . 1 1 A 12 12 HIS H H 12 8.431 8.388 0.043 2
1 24 . 1 1 A 12 12 HIS HA H 12 4.618 4.794 -0.176 2
1 28 . 1 1 A 12 12 HIS C C 12 174.980 174.019 0.961 2
1 29 . 1 1 A 12 12 HIS CA C 12 55.952 55.782 0.170 2
1 30 . 1 1 A 12 12 HIS CB C 12 30.058 31.471 -1.413 2
1 32 . 1 1 A 12 12 HIS N N 12 120.447 120.173 0.274 2
1 33 . 1 1 A 13 13 LYS H H 13 8.191 8.233 -0.042 2
1 34 . 1 1 A 13 13 LYS HA H 13 4.355 4.327 0.028 2
1 43 . 1 1 A 13 13 LYS C C 13 175.327 175.287 0.040 2
1 44 . 1 1 A 13 13 LYS CA C 13 55.620 55.631 -0.011 2
1 45 . 1 1 A 13 13 LYS CB C 13 33.729 33.720 0.009 2
1 49 . 1 1 A 13 13 LYS N N 13 124.365 121.411 2.954 2
1 50 . 1 1 A 14 14 GLN H H 14 8.229 8.525 -0.296 2
1 51 . 1 1 A 14 14 GLN HA H 14 4.037 4.483 -0.446 2
1 58 . 1 1 A 14 14 GLN C C 14 173.432 174.812 -1.380 2
1 59 . 1 1 A 14 14 GLN CA C 14 54.613 54.964 -0.351 2
1 60 . 1 1 A 14 14 GLN CB C 14 29.096 29.366 -0.270 2
1 62 . 1 1 A 14 14 GLN N N 14 123.823 123.973 -0.150 2
1 64 . 1 1 A 15 15 GLN H H 15 7.896 8.450 -0.554 2
1 65 . 1 1 A 15 15 GLN HA H 15 5.459 5.222 0.237 2
1 70 . 1 1 A 15 15 GLN C C 15 174.263 175.150 -0.887 2
1 71 . 1 1 A 15 15 GLN CA C 15 54.506 54.526 -0.020 2
1 72 . 1 1 A 15 15 GLN CB C 15 31.418 32.447 -1.029 2
1 74 . 1 1 A 15 15 GLN N N 15 121.452 124.466 -3.014 2
1 75 . 1 1 A 16 16 GLY H H 16 8.795 8.390 0.405 2
1 76 . 1 1 A 16 16 GLY HA2 H 16 4.056 4.229 -0.173 2
1 77 . 1 1 A 16 16 GLY HA3 H 16 4.801 4.472 0.329 2
1 78 . 1 1 A 16 16 GLY C C 16 171.456 171.472 -0.016 2
1 79 . 1 1 A 16 16 GLY CA C 16 44.773 46.204 -1.431 2
1 80 . 1 1 A 16 16 GLY N N 16 107.937 109.995 -2.058 2
1 81 . 1 1 A 17 17 GLU H H 17 8.718 8.578 0.140 2
1 82 . 1 1 A 17 17 GLU HA H 17 5.220 5.164 0.056 2
1 87 . 1 1 A 17 17 GLU C C 17 176.562 174.939 1.623 2
1 88 . 1 1 A 17 17 GLU CA C 17 55.880 54.603 1.277 2
1 89 . 1 1 A 17 17 GLU CB C 17 30.995 33.451 -2.456 2
1 91 . 1 1 A 17 17 GLU N N 17 119.686 121.831 -2.145 2
1 92 . 1 1 A 18 18 LEU H H 18 8.806 8.485 0.321 2
1 93 . 1 1 A 18 18 LEU HA H 18 4.652 4.634 0.018 2
1 103 . 1 1 A 18 18 LEU C C 18 176.851 174.447 2.403 2
1 104 . 1 1 A 18 18 LEU CA C 18 53.786 53.130 0.656 2
1 105 . 1 1 A 18 18 LEU CB C 18 47.961 45.356 2.605 2
1 109 . 1 1 A 18 18 LEU N N 18 122.158 122.965 -0.807 2
1 110 . 1 1 A 19 19 TYR H H 19 8.833 8.262 0.571 2
1 111 . 1 1 A 19 19 TYR HA H 19 5.837 5.530 0.307 2
1 118 . 1 1 A 19 19 TYR C C 19 176.038 175.463 0.575 2
1 119 . 1 1 A 19 19 TYR CA C 19 56.750 56.808 -0.058 2
1 120 . 1 1 A 19 19 TYR CB C 19 40.531 41.762 -1.231 2
1 125 . 1 1 A 19 19 TYR N N 19 117.278 120.134 -2.856 2
1 126 . 1 1 A 20 20 MET H H 20 9.743 9.243 0.500 2
1 127 . 1 1 A 20 20 MET HA H 20 5.207 5.252 -0.045 2
1 135 . 1 1 A 20 20 MET C C 20 175.349 174.972 0.377 2
1 136 . 1 1 A 20 20 MET CA C 20 54.611 54.382 0.229 2
1 137 . 1 1 A 20 20 MET CB C 20 37.352 36.232 1.120 2
1 140 . 1 1 A 20 20 MET N N 20 120.128 120.951 -0.823 2
1 141 . 1 1 A 21 21 TRP H H 21 8.142 8.334 -0.192 2
1 142 . 1 1 A 21 21 TRP HA H 21 4.084 3.737 0.347 2
1 150 . 1 1 A 21 21 TRP C C 21 174.752 174.509 0.243 2
1 151 . 1 1 A 21 21 TRP CA C 21 56.246 57.705 -1.459 2
1 152 . 1 1 A 21 21 TRP CB C 21 29.682 29.562 0.120 2
1 157 . 1 1 A 21 21 TRP N N 21 126.799 125.247 1.552 2
1 159 . 1 1 A 22 22 ASP H H 22 8.034 7.742 0.292 2
1 160 . 1 1 A 22 22 ASP HA H 22 4.417 4.483 -0.066 2
1 163 . 1 1 A 22 22 ASP C C 22 175.814 175.856 -0.042 2
1 164 . 1 1 A 22 22 ASP CA C 22 52.020 52.517 -0.497 2
1 165 . 1 1 A 22 22 ASP CB C 22 41.748 40.993 0.755 2
1 166 . 1 1 A 22 22 ASP N N 22 129.313 127.468 1.845 2
1 167 . 1 1 A 23 23 SER H H 23 8.331 8.396 -0.065 2
1 168 . 1 1 A 23 23 SER HA H 23 3.719 3.869 -0.150 2
1 171 . 1 1 A 23 23 SER C C 23 175.145 175.752 -0.607 2
1 172 . 1 1 A 23 23 SER CA C 23 59.732 59.959 -0.228 2
1 173 . 1 1 A 23 23 SER CB C 23 63.304 62.886 0.418 2
1 174 . 1 1 A 23 23 SER N N 23 119.796 118.998 0.798 2
1 175 . 1 1 A 24 24 ILE H H 24 8.044 7.451 0.593 2
1 176 . 1 1 A 24 24 ILE HA H 24 3.849 3.730 0.119 2
1 186 . 1 1 A 24 24 ILE C C 24 177.615 176.933 0.682 2
1 187 . 1 1 A 24 24 ILE CA C 24 63.257 64.375 -1.118 2
1 188 . 1 1 A 24 24 ILE CB C 24 36.400 38.335 -1.935 2
1 192 . 1 1 A 24 24 ILE N N 24 124.085 121.334 2.751 2
1 193 . 1 1 A 25 25 ASP H H 25 7.641 7.720 -0.079 2
1 194 . 1 1 A 25 25 ASP HA H 25 4.492 4.655 -0.163 2
1 197 . 1 1 A 25 25 ASP C C 25 175.486 175.081 0.405 2
1 198 . 1 1 A 25 25 ASP CA C 25 54.313 53.395 0.918 2
1 199 . 1 1 A 25 25 ASP CB C 25 40.789 41.461 -0.672 2
1 200 . 1 1 A 25 25 ASP N N 25 118.371 118.410 -0.039 2
1 201 . 1 1 A 26 26 GLN H H 26 7.340 7.491 -0.151 2
1 202 . 1 1 A 26 26 GLN HA H 26 2.828 3.379 -0.551 2
1 209 . 1 1 A 26 26 GLN C C 26 173.882 174.528 -0.646 2
1 210 . 1 1 A 26 26 GLN CA C 26 55.956 56.585 -0.629 2
1 211 . 1 1 A 26 26 GLN CB C 26 25.070 26.688 -1.618 2
1 213 . 1 1 A 26 26 GLN N N 26 116.358 116.112 0.246 2
1 215 . 1 1 A 27 27 LYS H H 27 6.283 6.557 -0.274 2
1 216 . 1 1 A 27 27 LYS HA H 27 4.395 4.881 -0.486 2
1 225 . 1 1 A 27 27 LYS C C 27 173.510 174.140 -0.630 2
1 226 . 1 1 A 27 27 LYS CA C 27 54.164 55.055 -0.891 2
1 227 . 1 1 A 27 27 LYS CB C 27 35.825 34.342 1.483 2
1 231 . 1 1 A 27 27 LYS N N 27 114.611 113.688 0.923 2
1 232 . 1 1 A 28 28 TRP H H 28 8.751 8.758 -0.008 2
1 233 . 1 1 A 28 28 TRP HA H 28 5.383 5.599 -0.216 2
1 242 . 1 1 A 28 28 TRP C C 28 177.411 176.519 0.892 2
1 243 . 1 1 A 28 28 TRP CA C 28 55.957 55.653 0.304 2
1 244 . 1 1 A 28 28 TRP CB C 28 30.752 31.252 -0.500 2
1 250 . 1 1 A 28 28 TRP N N 28 121.520 119.342 2.178 2
1 252 . 1 1 A 29 29 THR H H 29 9.413 8.915 0.498 2
1 253 . 1 1 A 29 29 THR HA H 29 4.852 5.146 -0.294 2
1 258 . 1 1 A 29 29 THR C C 29 173.520 172.851 0.669 2
1 259 . 1 1 A 29 29 THR CA C 29 60.308 59.749 0.559 2
1 260 . 1 1 A 29 29 THR CB C 29 69.736 71.242 -1.506 2
1 262 . 1 1 A 29 29 THR N N 29 117.059 114.347 2.712 2
1 263 . 1 1 A 30 30 ARG H H 30 9.117 8.580 0.537 2
1 264 . 1 1 A 30 30 ARG HA H 30 4.790 4.302 0.488 2
1 272 . 1 1 A 30 30 ARG C C 30 174.447 175.071 -0.624 2
1 273 . 1 1 A 30 30 ARG CA C 30 55.949 54.835 1.114 2
1 274 . 1 1 A 30 30 ARG CB C 30 33.388 31.328 2.060 2
1 277 . 1 1 A 30 30 ARG N N 30 126.027 121.981 4.046 2
1 278 . 1 1 A 31 31 HIS H H 31 9.011 8.483 0.528 2
1 279 . 1 1 A 31 31 HIS HA H 31 4.636 5.155 -0.519 2
1 282 . 1 1 A 31 31 HIS C C 31 173.947 173.286 0.661 2
1 283 . 1 1 A 31 31 HIS CA C 31 55.185 54.165 1.020 2
1 284 . 1 1 A 31 31 HIS CB C 31 33.332 33.539 -0.207 2
1 285 . 1 1 A 31 31 HIS N N 31 121.017 123.501 -2.484 2
1 286 . 1 1 A 32 32 TYR H H 32 9.361 8.963 0.398 2
1 287 . 1 1 A 32 32 TYR HA H 32 4.745 4.894 -0.149 2
1 294 . 1 1 A 32 32 TYR C C 32 176.298 174.618 1.680 2
1 295 . 1 1 A 32 32 TYR CA C 32 59.316 56.695 2.621 2
1 296 . 1 1 A 32 32 TYR CB C 32 39.341 39.348 -0.007 2
1 301 . 1 1 A 32 32 TYR N N 32 124.440 123.735 0.705 2
1 302 . 1 1 A 33 33 CYS H H 33 8.750 8.409 0.341 2
1 303 . 1 1 A 33 33 CYS HA H 33 5.857 5.247 0.610 2
1 306 . 1 1 A 33 33 CYS C C 33 172.735 173.970 -1.236 2
1 307 . 1 1 A 33 33 CYS CA C 33 57.108 57.711 -0.603 2
1 308 . 1 1 A 33 33 CYS CB C 33 32.779 29.632 3.147 2
1 309 . 1 1 A 33 33 CYS N N 33 127.462 126.653 0.809 2
1 310 . 1 1 A 34 34 ALA H H 34 8.565 8.756 -0.191 2
1 311 . 1 1 A 34 34 ALA HA H 34 5.290 4.971 0.319 2
1 315 . 1 1 A 34 34 ALA C C 34 176.215 175.774 0.441 2
1 316 . 1 1 A 34 34 ALA CA C 34 51.773 52.031 -0.258 2
1 317 . 1 1 A 34 34 ALA CB C 34 23.139 21.650 1.489 2
1 318 . 1 1 A 34 34 ALA N N 34 121.115 122.600 -1.485 2
1 319 . 1 1 A 35 35 ILE H H 35 8.413 8.933 -0.520 2
1 320 . 1 1 A 35 35 ILE HA H 35 5.275 4.906 0.369 2
1 330 . 1 1 A 35 35 ILE C C 35 175.768 175.079 0.689 2
1 331 . 1 1 A 35 35 ILE CA C 35 60.105 60.521 -0.416 2
1 332 . 1 1 A 35 35 ILE CB C 35 39.737 38.108 1.629 2
1 336 . 1 1 A 35 35 ILE N N 35 120.176 123.706 -3.530 2
1 337 . 1 1 A 36 36 ALA H H 36 8.666 8.665 0.001 2
1 338 . 1 1 A 36 36 ALA HA H 36 4.581 4.718 -0.137 2
1 342 . 1 1 A 36 36 ALA CA C 36 52.028 51.062 0.966 2
1 343 . 1 1 A 36 36 ALA CB C 36 21.365 21.035 0.330 2
1 344 . 1 1 A 36 36 ALA N N 36 129.732 130.450 -0.718 2
1 345 . 1 1 A 37 37 ASP H H 37 9.379 9.057 0.322 2
1 346 . 1 1 A 37 37 ASP HA H 37 4.228 4.310 -0.082 2
1 349 . 1 1 A 37 37 ASP C C 37 174.579 175.616 -1.037 2
1 350 . 1 1 A 37 37 ASP CA C 37 55.822 56.423 -0.601 2
1 351 . 1 1 A 37 37 ASP CB C 37 39.784 39.697 0.087 2
1 352 . 1 1 A 37 37 ASP N N 37 124.926 121.752 3.174 2
1 353 . 1 1 A 38 38 ALA H H 38 8.710 8.327 0.383 2
1 354 . 1 1 A 38 38 ALA HA H 38 3.911 4.386 -0.475 2
1 358 . 1 1 A 38 38 ALA C C 38 174.866 176.647 -1.781 2
1 359 . 1 1 A 38 38 ALA CA C 38 53.040 52.130 0.910 2
1 360 . 1 1 A 38 38 ALA CB C 38 17.654 20.390 -2.736 2
1 361 . 1 1 A 38 38 ALA N N 38 115.547 122.104 -6.557 2
1 362 . 1 1 A 39 39 LYS H H 39 8.054 7.713 0.341 2
1 363 . 1 1 A 39 39 LYS HA H 39 5.247 4.979 0.269 2
1 372 . 1 1 A 39 39 LYS C C 39 175.201 174.711 0.490 2
1 373 . 1 1 A 39 39 LYS CA C 39 54.583 54.732 -0.149 2
1 374 . 1 1 A 39 39 LYS CB C 39 34.824 35.507 -0.683 2
1 378 . 1 1 A 39 39 LYS N N 39 117.589 117.115 0.474 2
1 379 . 1 1 A 40 40 LEU H H 40 9.090 8.667 0.423 2
1 380 . 1 1 A 40 40 LEU HA H 40 5.353 5.149 0.204 2
1 390 . 1 1 A 40 40 LEU C C 40 175.382 175.026 0.356 2
1 391 . 1 1 A 40 40 LEU CA C 40 53.987 53.638 0.349 2
1 392 . 1 1 A 40 40 LEU CB C 40 45.718 45.133 0.585 2
1 396 . 1 1 A 40 40 LEU N N 40 126.300 124.989 1.311 2
1 397 . 1 1 A 41 41 SER H H 41 9.539 8.921 0.618 2
1 398 . 1 1 A 41 41 SER HA H 41 5.493 5.473 0.020 2
1 401 . 1 1 A 41 41 SER C C 41 173.435 173.810 -0.375 2
1 402 . 1 1 A 41 41 SER CA C 41 56.816 57.163 -0.347 2
1 403 . 1 1 A 41 41 SER CB C 41 65.706 64.549 1.157 2
1 404 . 1 1 A 41 41 SER N N 41 123.399 122.817 0.582 2
1 405 . 1 1 A 42 42 PHE H H 42 8.344 8.317 0.027 2
1 406 . 1 1 A 42 42 PHE HA H 42 5.888 5.604 0.284 2
1 414 . 1 1 A 42 42 PHE C C 42 175.198 174.660 0.538 2
1 415 . 1 1 A 42 42 PHE CA C 42 54.335 55.446 -1.111 2
1 416 . 1 1 A 42 42 PHE CB C 42 43.360 41.492 1.868 2
1 422 . 1 1 A 42 42 PHE N N 42 117.935 121.707 -3.772 2
1 423 . 1 1 A 43 43 SER H H 43 8.843 8.740 0.103 2
1 424 . 1 1 A 43 43 SER HA H 43 4.918 5.033 -0.115 2
1 427 . 1 1 A 43 43 SER C C 43 175.040 173.901 1.139 2
1 428 . 1 1 A 43 43 SER CA C 43 58.215 57.106 1.109 2
1 429 . 1 1 A 43 43 SER CB C 43 66.789 65.552 1.237 2
1 430 . 1 1 A 43 43 SER N N 43 117.280 116.953 0.327 2
1 431 . 1 1 A 44 44 ASP H H 44 8.818 8.370 0.448 2
1 432 . 1 1 A 44 44 ASP HA H 44 4.909 4.681 0.228 2
1 435 . 1 1 A 44 44 ASP C C 44 175.955 175.592 0.363 2
1 436 . 1 1 A 44 44 ASP CA C 44 54.815 53.652 1.163 2
1 437 . 1 1 A 44 44 ASP CB C 44 41.729 41.440 0.289 2
1 438 . 1 1 A 44 44 ASP N N 44 120.846 122.071 -1.225 2
1 439 . 1 1 A 45 45 ASP H H 45 8.726 8.582 0.144 2
1 440 . 1 1 A 45 45 ASP HA H 45 4.273 4.627 -0.354 2
1 443 . 1 1 A 45 45 ASP C C 45 177.889 177.622 0.267 2
1 444 . 1 1 A 45 45 ASP CA C 45 54.145 55.003 -0.858 2
1 445 . 1 1 A 45 45 ASP CB C 45 41.329 41.168 0.161 2
1 446 . 1 1 A 45 45 ASP N N 45 120.848 120.779 0.069 2
1 447 . 1 1 A 46 46 ILE H H 46 8.369 8.372 -0.003 2
1 448 . 1 1 A 46 46 ILE HA H 46 4.079 4.256 -0.177 2
1 458 . 1 1 A 46 46 ILE C C 46 177.339 176.766 0.573 2
1 459 . 1 1 A 46 46 ILE CA C 46 62.357 61.911 0.446 2
1 460 . 1 1 A 46 46 ILE CB C 46 38.708 38.486 0.222 2
1 464 . 1 1 A 46 46 ILE N N 46 123.832 119.538 4.294 2
1 465 . 1 1 A 47 47 GLU H H 47 8.577 8.070 0.507 2
1 466 . 1 1 A 47 47 GLU HA H 47 4.258 4.528 -0.270 2
1 471 . 1 1 A 47 47 GLU C C 47 177.164 177.236 -0.072 2
1 472 . 1 1 A 47 47 GLU CA C 47 57.249 57.040 0.209 2
1 473 . 1 1 A 47 47 GLU CB C 47 29.900 31.798 -1.898 2
1 475 . 1 1 A 47 47 GLU N N 47 122.294 119.578 2.716 2
1 476 . 1 1 A 48 48 GLN H H 48 7.894 7.984 -0.090 2
1 477 . 1 1 A 48 48 GLN HA H 48 4.365 4.422 -0.057 2
1 484 . 1 1 A 48 48 GLN C C 48 176.278 175.674 0.604 2
1 485 . 1 1 A 48 48 GLN CA C 48 55.830 55.948 -0.118 2
1 486 . 1 1 A 48 48 GLN CB C 48 29.383 28.942 0.441 2
1 488 . 1 1 A 48 48 GLN N N 48 118.968 118.413 0.555 2
1 490 . 1 1 A 49 49 THR H H 49 8.048 7.695 0.353 2
1 491 . 1 1 A 49 49 THR HA H 49 4.331 4.138 0.193 2
1 496 . 1 1 A 49 49 THR C C 49 174.784 174.627 0.157 2
1 497 . 1 1 A 49 49 THR CA C 49 62.135 63.152 -1.017 2
1 498 . 1 1 A 49 49 THR CB C 49 69.736 68.802 0.934 2
1 500 . 1 1 A 49 49 THR N N 49 114.601 113.275 1.326 2
1 501 . 1 1 A 50 50 MET H H 50 8.409 8.540 -0.131 2
1 502 . 1 1 A 50 50 MET HA H 50 4.510 4.641 -0.131 2
1 510 . 1 1 A 50 50 MET C C 50 176.451 175.706 0.745 2
1 511 . 1 1 A 50 50 MET CA C 50 55.601 54.980 0.621 2
1 512 . 1 1 A 50 50 MET CB C 50 32.850 32.175 0.675 2
1 515 . 1 1 A 50 50 MET N N 50 122.660 121.830 0.830 2
1 516 . 1 1 A 51 51 GLU H H 51 8.418 7.838 0.580 2
1 517 . 1 1 A 51 51 GLU HA H 51 4.272 4.444 -0.172 2
1 522 . 1 1 A 51 51 GLU C C 51 176.777 176.696 0.081 2
1 523 . 1 1 A 51 51 GLU CA C 51 56.680 56.037 0.643 2
1 524 . 1 1 A 51 51 GLU CB C 51 30.262 30.769 -0.507 2
1 526 . 1 1 A 51 51 GLU N N 51 121.650 120.173 1.477 2
1 527 . 1 1 A 52 52 GLU H H 52 8.325 8.796 -0.471 2
1 528 . 1 1 A 52 52 GLU HA H 52 4.174 4.133 0.041 2
1 533 . 1 1 A 52 52 GLU C C 52 176.178 177.148 -0.970 2
1 534 . 1 1 A 52 52 GLU N N 52 120.869 124.739 -3.870 2
1 535 . 1 1 A 53 53 ASP H H 53 8.320 7.999 0.321 2
1 536 . 1 1 A 53 53 ASP HA H 53 4.527 4.738 -0.211 2
1 539 . 1 1 A 53 53 ASP C C 53 175.650 175.494 0.156 2
1 540 . 1 1 A 53 53 ASP CA C 53 54.322 53.663 0.659 2
1 541 . 1 1 A 53 53 ASP CB C 53 41.040 40.798 0.242 2
1 542 . 1 1 A 53 53 ASP N N 53 119.656 116.654 3.002 2
1 543 . 1 1 A 54 54 ASN H H 54 8.134 8.108 0.026 2
1 544 . 1 1 A 54 54 ASN HA H 54 4.970 4.556 0.413 2
1 549 . 1 1 A 54 54 ASN CA C 54 51.120 53.400 -2.280 2
1 550 . 1 1 A 54 54 ASN CB C 54 39.125 37.317 1.808 2
1 551 . 1 1 A 54 54 ASN N N 54 118.436 115.296 3.140 2
1 553 . 1 1 A 55 55 PRO HA H 55 4.394 4.487 -0.093 2
1 560 . 1 1 A 55 55 PRO C C 55 177.514 176.874 0.640 2
1 561 . 1 1 A 55 55 PRO CA C 55 63.910 64.116 -0.206 2
1 562 . 1 1 A 55 55 PRO CB C 55 32.077 32.049 0.028 2
1 565 . 1 1 A 56 56 LEU H H 56 8.181 8.037 0.144 2
1 566 . 1 1 A 56 56 LEU HA H 56 4.268 4.485 -0.217 2
1 576 . 1 1 A 56 56 LEU C C 56 178.176 175.848 2.328 2
1 577 . 1 1 A 56 56 LEU CA C 56 55.542 55.090 0.452 2
1 578 . 1 1 A 56 56 LEU CB C 56 41.783 43.751 -1.968 2
1 582 . 1 1 A 56 56 LEU N N 56 120.122 119.289 0.833 2
1 583 . 1 1 A 57 57 GLY H H 57 8.071 8.600 -0.529 2
1 584 . 1 1 A 57 57 GLY HA2 H 57 3.946 4.030 -0.084 2
1 585 . 1 1 A 57 57 GLY HA3 H 57 3.946 4.032 -0.087 2
1 586 . 1 1 A 57 57 GLY C C 57 174.306 173.762 0.544 2
1 587 . 1 1 A 57 57 GLY CA C 57 45.460 45.907 -0.447 2
1 588 . 1 1 A 57 57 GLY N N 57 108.437 111.972 -3.535 2
1 589 . 1 1 A 58 58 SER H H 58 8.170 8.341 -0.171 2
1 590 . 1 1 A 58 58 SER HA H 58 4.460 4.563 -0.103 2
1 593 . 1 1 A 58 58 SER C C 58 174.785 174.492 0.293 2
1 594 . 1 1 A 58 58 SER CA C 58 58.319 58.126 0.193 2
1 595 . 1 1 A 58 58 SER CB C 58 63.792 64.354 -0.562 2
1 596 . 1 1 A 58 58 SER N N 58 115.478 116.265 -0.787 2
1 597 . 1 1 A 59 59 LEU H H 59 8.278 8.589 -0.311 2
1 598 . 1 1 A 59 59 LEU HA H 59 4.384 4.297 0.087 2
1 608 . 1 1 A 59 59 LEU CA C 59 55.219 56.968 -1.749 2
1 609 . 1 1 A 59 59 LEU CB C 59 42.377 42.760 -0.383 2
1 613 . 1 1 A 59 59 LEU N N 59 124.033 124.316 -0.283 2
1 614 . 1 1 A 60 60 CYS H H 60 8.331 8.132 0.199 2
1 615 . 1 1 A 60 60 CYS HA H 60 4.398 4.286 0.112 2
1 618 . 1 1 A 60 60 CYS C C 60 174.142 174.637 -0.495 2
1 619 . 1 1 A 60 60 CYS CA C 60 58.505 59.169 -0.664 2
1 620 . 1 1 A 60 60 CYS CB C 60 27.338 26.980 0.358 2
1 621 . 1 1 A 60 60 CYS N N 60 120.390 117.280 3.110 2
1 622 . 1 1 A 61 61 ARG H H 61 8.632 8.557 0.075 2
1 623 . 1 1 A 61 61 ARG HA H 61 4.337 4.289 0.048 2
1 630 . 1 1 A 61 61 ARG C C 61 176.096 175.829 0.267 2
1 631 . 1 1 A 61 61 ARG CA C 61 56.003 56.679 -0.676 2
1 632 . 1 1 A 61 61 ARG CB C 61 30.757 31.433 -0.676 2
1 635 . 1 1 A 61 61 ARG N N 61 125.869 126.172 -0.303 2
1 636 . 1 1 A 62 62 GLY H H 62 7.263 6.647 0.616 2
1 637 . 1 1 A 62 62 GLY HA2 H 62 3.008 3.535 -0.527 2
1 638 . 1 1 A 62 62 GLY HA3 H 62 3.875 3.841 0.034 2
1 639 . 1 1 A 62 62 GLY C C 62 170.609 170.984 -0.375 2
1 640 . 1 1 A 62 62 GLY CA C 62 44.808 44.889 -0.081 2
1 641 . 1 1 A 62 62 GLY N N 62 107.908 105.253 2.655 2
1 642 . 1 1 A 63 63 ILE H H 63 7.895 8.339 -0.444 2
1 643 . 1 1 A 63 63 ILE HA H 63 4.843 5.066 -0.223 2
1 653 . 1 1 A 63 63 ILE C C 63 175.450 174.684 0.766 2
1 654 . 1 1 A 63 63 ILE CA C 63 60.322 59.718 0.604 2
1 655 . 1 1 A 63 63 ILE CB C 63 41.957 41.819 0.138 2
1 659 . 1 1 A 63 63 ILE N N 63 117.987 121.206 -3.219 2
1 660 . 1 1 A 64 64 LEU H H 64 9.429 9.223 0.206 2
1 661 . 1 1 A 64 64 LEU HA H 64 4.916 4.824 0.092 2
1 671 . 1 1 A 64 64 LEU C C 64 176.136 176.222 -0.086 2
1 672 . 1 1 A 64 64 LEU CA C 64 53.059 53.944 -0.885 2
1 673 . 1 1 A 64 64 LEU CB C 64 43.788 42.583 1.205 2
1 677 . 1 1 A 64 64 LEU N N 64 127.063 127.863 -0.800 2
1 678 . 1 1 A 65 65 ASP H H 65 9.241 9.074 0.167 2
1 679 . 1 1 A 65 65 ASP HA H 65 4.818 4.457 0.361 2
1 682 . 1 1 A 65 65 ASP C C 65 177.925 176.459 1.466 2
1 683 . 1 1 A 65 65 ASP CA C 65 53.628 56.296 -2.668 2
1 684 . 1 1 A 65 65 ASP CB C 65 40.307 40.516 -0.209 2
1 685 . 1 1 A 65 65 ASP N N 65 122.728 126.283 -3.555 2
1 686 . 1 1 A 66 66 LEU H H 66 8.766 8.177 0.589 2
1 687 . 1 1 A 66 66 LEU HA H 66 4.212 4.234 -0.022 2
1 697 . 1 1 A 66 66 LEU C C 66 177.167 177.008 0.159 2
1 698 . 1 1 A 66 66 LEU CA C 66 57.854 56.376 1.478 2
1 699 . 1 1 A 66 66 LEU CB C 66 41.006 40.577 0.429 2
1 703 . 1 1 A 66 66 LEU N N 66 126.997 119.724 7.273 2
1 704 . 1 1 A 67 67 ASN H H 67 8.585 8.307 0.278 2
1 705 . 1 1 A 67 67 ASN HA H 67 4.721 4.840 -0.119 2
1 710 . 1 1 A 67 67 ASN C C 67 176.583 175.608 0.975 2
1 711 . 1 1 A 67 67 ASN CA C 67 55.648 54.087 1.561 2
1 712 . 1 1 A 67 67 ASN CB C 67 38.464 39.618 -1.154 2
1 713 . 1 1 A 67 67 ASN N N 67 113.883 115.969 -2.086 2
1 715 . 1 1 A 68 68 THR H H 68 8.007 7.985 0.022 2
1 716 . 1 1 A 68 68 THR HA H 68 4.513 4.623 -0.110 2
1 721 . 1 1 A 68 68 THR C C 68 172.870 173.303 -0.433 2
1 722 . 1 1 A 68 68 THR CA C 68 61.441 60.449 0.992 2
1 723 . 1 1 A 68 68 THR CB C 68 69.432 68.964 0.468 2
1 725 . 1 1 A 68 68 THR N N 68 108.340 107.744 0.596 2
1 726 . 1 1 A 69 69 TYR H H 69 7.560 8.186 -0.626 2
1 727 . 1 1 A 69 69 TYR HA H 69 5.199 5.456 -0.257 2
1 734 . 1 1 A 69 69 TYR C C 69 174.283 174.595 -0.312 2
1 735 . 1 1 A 69 69 TYR CA C 69 57.848 56.368 1.480 2
1 736 . 1 1 A 69 69 TYR CB C 69 44.393 43.506 0.887 2
1 741 . 1 1 A 69 69 TYR N N 69 119.888 122.479 -2.591 2
1 742 . 1 1 A 70 70 ASN H H 70 9.116 9.170 -0.054 2
1 743 . 1 1 A 70 70 ASN HA H 70 5.162 5.476 -0.314 2
1 748 . 1 1 A 70 70 ASN C C 70 174.340 174.229 0.111 2
1 749 . 1 1 A 70 70 ASN CA C 70 52.364 52.526 -0.162 2
1 750 . 1 1 A 70 70 ASN CB C 70 42.062 42.758 -0.696 2
1 751 . 1 1 A 70 70 ASN N N 70 116.071 117.724 -1.653 2
1 753 . 1 1 A 71 71 VAL H H 71 8.564 9.060 -0.496 2
1 754 . 1 1 A 71 71 VAL HA H 71 5.766 4.917 0.850 2
1 762 . 1 1 A 71 71 VAL C C 71 173.261 175.613 -2.352 2
1 763 . 1 1 A 71 71 VAL CA C 71 59.076 61.868 -2.792 2
1 764 . 1 1 A 71 71 VAL CB C 71 34.982 33.023 1.959 2
1 767 . 1 1 A 71 71 VAL N N 71 120.784 124.324 -3.540 2
1 768 . 1 1 A 72 72 VAL H H 72 9.308 8.735 0.573 2
1 769 . 1 1 A 72 72 VAL HA H 72 4.806 4.711 0.095 2
1 777 . 1 1 A 72 72 VAL C C 72 175.047 173.923 1.124 2
1 778 . 1 1 A 72 72 VAL CA C 72 60.330 59.614 0.716 2
1 779 . 1 1 A 72 72 VAL CB C 72 36.467 34.990 1.477 2
1 782 . 1 1 A 72 72 VAL N N 72 125.272 121.271 4.001 2
1 783 . 1 1 A 73 73 LYS H H 73 8.793 8.238 0.555 2
1 784 . 1 1 A 73 73 LYS HA H 73 4.652 3.007 1.645 2
1 793 . 1 1 A 73 73 LYS C C 73 176.241 174.718 1.523 2
1 794 . 1 1 A 73 73 LYS CA C 73 55.799 55.556 0.243 2
1 795 . 1 1 A 73 73 LYS CB C 73 33.452 32.299 1.153 2
1 799 . 1 1 A 73 73 LYS N N 73 124.197 125.974 -1.777 2
1 800 . 1 1 A 74 74 ALA H H 74 8.172 8.388 -0.216 2
1 801 . 1 1 A 74 74 ALA HA H 74 4.849 4.382 0.467 2
1 805 . 1 1 A 74 74 ALA CA C 74 49.540 50.102 -0.562 2
1 806 . 1 1 A 74 74 ALA CB C 74 17.685 19.409 -1.724 2
1 807 . 1 1 A 74 74 ALA N N 74 128.026 129.806 -1.780 2
1 808 . 1 1 A 75 75 PRO HA H 75 4.351 4.423 -0.072 2
1 815 . 1 1 A 75 75 PRO CA C 75 65.256 64.248 1.008 2
1 816 . 1 1 A 75 75 PRO CB C 75 32.158 32.043 0.115 2
1 819 . 1 1 A 76 76 GLN H H 76 8.660 8.530 0.130 2
1 820 . 1 1 A 76 76 GLN HA H 76 4.561 4.085 0.476 2
1 825 . 1 1 A 76 76 GLN C C 76 176.426 175.994 0.432 2
1 826 . 1 1 A 76 76 GLN CA C 76 55.168 56.657 -1.489 2
1 827 . 1 1 A 76 76 GLN CB C 76 28.925 27.996 0.929 2
1 829 . 1 1 A 76 76 GLN N N 76 116.110 117.458 -1.348 2
1 830 . 1 1 A 77 77 GLY H H 77 7.527 8.121 -0.594 2
1 831 . 1 1 A 77 77 GLY HA2 H 77 3.382 3.882 -0.500 2
1 832 . 1 1 A 77 77 GLY HA3 H 77 4.505 3.915 0.590 2
1 833 . 1 1 A 77 77 GLY C C 77 172.487 173.835 -1.348 2
1 834 . 1 1 A 77 77 GLY CA C 77 44.852 45.343 -0.491 2
1 835 . 1 1 A 77 77 GLY N N 77 107.608 107.806 -0.198 2
1 836 . 1 1 A 78 78 LYS H H 78 8.123 8.515 -0.392 2
1 837 . 1 1 A 78 78 LYS HA H 78 4.191 4.583 -0.392 2
1 846 . 1 1 A 78 78 LYS C C 78 175.300 176.108 -0.808 2
1 847 . 1 1 A 78 78 LYS CA C 78 56.737 56.373 0.364 2
1 848 . 1 1 A 78 78 LYS CB C 78 35.900 35.445 0.455 2
1 852 . 1 1 A 78 78 LYS N N 78 117.756 121.998 -4.242 2
1 853 . 1 1 A 79 79 ASN H H 79 9.105 8.511 0.595 2
1 854 . 1 1 A 79 79 ASN HA H 79 4.099 4.604 -0.505 2
1 859 . 1 1 A 79 79 ASN C C 79 175.098 175.427 -0.329 2
1 860 . 1 1 A 79 79 ASN CA C 79 54.563 53.655 0.908 2
1 861 . 1 1 A 79 79 ASN CB C 79 37.353 38.779 -1.425 2
1 862 . 1 1 A 79 79 ASN N N 79 120.643 117.488 3.155 2
1 864 . 1 1 A 80 80 GLN H H 80 8.608 8.568 0.040 2
1 865 . 1 1 A 80 80 GLN HA H 80 3.648 4.221 -0.573 2
1 870 . 1 1 A 80 80 GLN C C 80 175.327 174.862 0.465 2
1 871 . 1 1 A 80 80 GLN CA C 80 57.975 56.300 1.675 2
1 872 . 1 1 A 80 80 GLN CB C 80 26.506 28.837 -2.331 2
1 874 . 1 1 A 80 80 GLN N N 80 108.385 118.434 -10.049 2
1 875 . 1 1 A 81 81 LYS H H 81 7.608 7.665 -0.057 2
1 876 . 1 1 A 81 81 LYS HA H 81 4.325 4.550 -0.225 2
1 885 . 1 1 A 81 81 LYS C C 81 176.242 176.008 0.233 2
1 886 . 1 1 A 81 81 LYS CA C 81 54.186 54.367 -0.180 2
1 887 . 1 1 A 81 81 LYS CB C 81 33.385 34.603 -1.218 2
1 891 . 1 1 A 81 81 LYS N N 81 119.675 119.581 0.094 2
1 892 . 1 1 A 82 82 SER H H 82 7.692 8.401 -0.709 2
1 893 . 1 1 A 82 82 SER HA H 82 3.850 4.405 -0.555 2
1 896 . 1 1 A 82 82 SER C C 82 174.045 173.634 0.411 2
1 897 . 1 1 A 82 82 SER CA C 82 60.984 59.008 1.976 2
1 898 . 1 1 A 82 82 SER CB C 82 62.962 64.440 -1.478 2
1 899 . 1 1 A 82 82 SER N N 82 117.008 115.430 1.578 2
1 900 . 1 1 A 83 83 PHE H H 83 8.545 7.541 1.004 2
1 901 . 1 1 A 83 83 PHE HA H 83 4.921 5.105 -0.184 2
1 908 . 1 1 A 83 83 PHE C C 83 172.686 174.856 -2.170 2
1 909 . 1 1 A 83 83 PHE CA C 83 55.383 56.737 -1.354 2
1 910 . 1 1 A 83 83 PHE CB C 83 37.774 39.784 -2.010 2
1 915 . 1 1 A 83 83 PHE N N 83 124.073 118.119 5.954 2
1 916 . 1 1 A 84 84 VAL H H 84 8.420 8.758 -0.338 2
1 917 . 1 1 A 84 84 VAL HA H 84 5.348 5.162 0.187 2
1 925 . 1 1 A 84 84 VAL C C 84 175.816 174.813 1.003 2
1 926 . 1 1 A 84 84 VAL CA C 84 60.177 60.644 -0.467 2
1 927 . 1 1 A 84 84 VAL CB C 84 37.646 35.823 1.823 2
1 930 . 1 1 A 84 84 VAL N N 84 123.085 123.246 -0.161 2
1 931 . 1 1 A 85 85 PHE H H 85 8.812 9.011 -0.199 2
1 932 . 1 1 A 85 85 PHE HA H 85 5.510 5.229 0.281 2
1 940 . 1 1 A 85 85 PHE C C 85 171.610 174.821 -3.211 2
1 941 . 1 1 A 85 85 PHE CA C 85 55.360 55.930 -0.570 2
1 942 . 1 1 A 85 85 PHE CB C 85 41.424 41.802 -0.378 2
1 948 . 1 1 A 85 85 PHE N N 85 122.454 124.411 -1.957 2
1 949 . 1 1 A 86 86 ILE H H 86 9.406 9.062 0.343 2
1 950 . 1 1 A 86 86 ILE HA H 86 4.844 5.105 -0.261 2
1 960 . 1 1 A 86 86 ILE C C 86 175.559 174.851 0.709 2
1 961 . 1 1 A 86 86 ILE CA C 86 60.323 60.204 0.119 2
1 962 . 1 1 A 86 86 ILE CB C 86 42.374 40.967 1.407 2
1 966 . 1 1 A 86 86 ILE N N 86 120.483 122.734 -2.251 2
1 967 . 1 1 A 87 87 LEU H H 87 9.450 9.250 0.200 2
1 968 . 1 1 A 87 87 LEU HA H 87 5.238 5.562 -0.324 2
1 978 . 1 1 A 87 87 LEU C C 87 175.145 175.860 -0.715 2
1 979 . 1 1 A 87 87 LEU CA C 87 52.778 53.373 -0.595 2
1 980 . 1 1 A 87 87 LEU CB C 87 40.657 43.684 -3.027 2
1 984 . 1 1 A 87 87 LEU N N 87 126.149 127.558 -1.409 2
1 985 . 1 1 A 88 88 GLU H H 88 9.120 9.132 -0.012 2
1 986 . 1 1 A 88 88 GLU HA H 88 4.986 4.959 0.027 2
1 991 . 1 1 A 88 88 GLU CA C 88 52.677 52.786 -0.109 2
1 992 . 1 1 A 88 88 GLU CB C 88 31.511 30.785 0.726 2
1 994 . 1 1 A 88 88 GLU N N 88 126.028 124.181 1.847 2
1 995 . 1 1 A 89 89 PRO HA H 89 4.239 3.966 0.273 2
1 1002 . 1 1 A 89 89 PRO C C 89 177.398 176.957 0.441 2
1 1003 . 1 1 A 89 89 PRO CA C 89 63.214 62.635 0.579 2
1 1004 . 1 1 A 89 89 PRO CB C 89 32.855 32.147 0.708 2
1 1007 . 1 1 A 90 90 LYS H H 90 8.166 8.629 -0.463 2
1 1008 . 1 1 A 90 90 LYS HA H 90 4.041 4.436 -0.395 2
1 1017 . 1 1 A 90 90 LYS C C 90 177.384 176.936 0.448 2
1 1018 . 1 1 A 90 90 LYS CA C 90 58.404 56.432 1.972 2
1 1019 . 1 1 A 90 90 LYS CB C 90 33.133 32.797 0.336 2
1 1023 . 1 1 A 90 90 LYS N N 90 121.350 121.122 0.228 2
1 1024 . 1 1 A 91 91 GLN H H 91 8.252 7.760 0.492 2
1 1025 . 1 1 A 91 91 GLN HA H 91 4.423 4.123 0.300 2
1 1032 . 1 1 A 91 91 GLN C C 91 175.039 176.440 -1.402 2
1 1033 . 1 1 A 91 91 GLN CA C 91 54.303 57.876 -3.573 2
1 1034 . 1 1 A 91 91 GLN CB C 91 29.208 29.218 -0.010 2
1 1036 . 1 1 A 91 91 GLN N N 91 118.759 119.738 -0.979 2
1 1038 . 1 1 A 92 92 GLN H H 92 8.460 7.798 0.662 2
1 1039 . 1 1 A 92 92 GLN HA H 92 4.057 4.462 -0.405 2
1 1044 . 1 1 A 92 92 GLN C C 92 177.080 175.956 1.124 2
1 1045 . 1 1 A 92 92 GLN CA C 92 57.446 56.426 1.020 2
1 1046 . 1 1 A 92 92 GLN CB C 92 28.472 29.579 -1.107 2
1 1048 . 1 1 A 92 92 GLN N N 92 124.928 115.901 9.027 2
1 1049 . 1 1 A 93 93 GLY H H 93 8.870 8.102 0.768 2
1 1050 . 1 1 A 93 93 GLY HA2 H 93 3.639 4.012 -0.373 2
1 1051 . 1 1 A 93 93 GLY HA3 H 93 4.338 4.016 0.322 2
1 1052 . 1 1 A 93 93 GLY C C 93 174.298 174.008 0.290 2
1 1053 . 1 1 A 93 93 GLY CA C 93 45.336 45.618 -0.282 2
1 1054 . 1 1 A 93 93 GLY N N 93 113.393 107.954 5.439 2
1 1055 . 1 1 A 94 94 ASP H H 94 7.546 7.556 -0.010 2
1 1056 . 1 1 A 94 94 ASP HA H 94 5.056 4.738 0.318 2
1 1059 . 1 1 A 94 94 ASP CA C 94 52.662 52.789 -0.127 2
1 1060 . 1 1 A 94 94 ASP CB C 94 40.179 39.920 0.259 2
1 1061 . 1 1 A 94 94 ASP N N 94 123.111 120.634 2.477 2
1 1062 . 1 1 A 95 95 PRO HA H 95 4.933 4.722 0.211 2
1 1069 . 1 1 A 95 95 PRO CA C 95 61.243 61.553 -0.310 2
1 1070 . 1 1 A 95 95 PRO CB C 95 31.234 31.946 -0.712 2
1 1073 . 1 1 A 96 96 PRO HA H 96 5.190 5.022 0.168 2
1 1080 . 1 1 A 96 96 PRO C C 96 176.664 175.562 1.102 2
1 1081 . 1 1 A 96 96 PRO CA C 96 62.399 62.474 -0.075 2
1 1082 . 1 1 A 96 96 PRO CB C 96 32.850 33.006 -0.156 2
1 1085 . 1 1 A 97 97 VAL H H 97 8.448 8.291 0.157 2
1 1086 . 1 1 A 97 97 VAL HA H 97 4.145 4.706 -0.561 2
1 1094 . 1 1 A 97 97 VAL C C 97 174.020 174.960 -0.940 2
1 1095 . 1 1 A 97 97 VAL CA C 97 61.710 60.712 0.998 2
1 1096 . 1 1 A 97 97 VAL CB C 97 33.977 35.444 -1.467 2
1 1099 . 1 1 A 97 97 VAL N N 97 121.904 119.816 2.088 2
1 1100 . 1 1 A 98 98 GLU H H 98 8.599 8.704 -0.105 2
1 1101 . 1 1 A 98 98 GLU HA H 98 4.778 5.228 -0.450 2
1 1106 . 1 1 A 98 98 GLU C C 98 173.807 175.778 -1.971 2
1 1107 . 1 1 A 98 98 GLU CA C 98 55.674 55.187 0.487 2
1 1108 . 1 1 A 98 98 GLU CB C 98 30.827 32.479 -1.652 2
1 1110 . 1 1 A 98 98 GLU N N 98 126.577 126.510 0.067 2
1 1111 . 1 1 A 99 99 PHE H H 99 8.701 9.159 -0.458 2
1 1112 . 1 1 A 99 99 PHE HA H 99 5.773 5.932 -0.159 2
1 1120 . 1 1 A 99 99 PHE C C 99 174.648 174.915 -0.267 2
1 1121 . 1 1 A 99 99 PHE CA C 99 55.799 57.014 -1.215 2
1 1122 . 1 1 A 99 99 PHE CB C 99 44.025 44.295 -0.270 2
1 1128 . 1 1 A 99 99 PHE N N 99 120.755 120.815 -0.060 2
1 1129 . 1 1 A 100 100 ALA H H 100 8.737 8.777 -0.040 2
1 1130 . 1 1 A 100 100 ALA HA H 100 5.669 5.210 0.459 2
1 1134 . 1 1 A 100 100 ALA C C 100 176.491 176.290 0.201 2
1 1135 . 1 1 A 100 100 ALA CA C 100 49.850 51.573 -1.723 2
1 1136 . 1 1 A 100 100 ALA CB C 100 23.399 23.125 0.274 2
1 1137 . 1 1 A 100 100 ALA N N 100 118.211 122.085 -3.874 2
1 1138 . 1 1 A 101 101 THR H H 101 8.272 8.668 -0.396 2
1 1139 . 1 1 A 101 101 THR HA H 101 5.232 4.970 0.262 2
1 1144 . 1 1 A 101 101 THR C C 101 174.787 173.625 1.162 2
1 1145 . 1 1 A 101 101 THR CA C 101 59.068 60.290 -1.222 2
1 1146 . 1 1 A 101 101 THR CB C 101 70.089 72.067 -1.978 2
1 1148 . 1 1 A 101 101 THR N N 101 108.062 110.005 -1.943 2
1 1149 . 1 1 A 102 102 ASP H H 102 8.625 8.735 -0.110 2
1 1150 . 1 1 A 102 102 ASP HA H 102 5.009 4.876 0.133 2
1 1153 . 1 1 A 102 102 ASP C C 102 177.730 175.359 2.371 2
1 1154 . 1 1 A 102 102 ASP CA C 102 56.976 53.965 3.011 2
1 1155 . 1 1 A 102 102 ASP CB C 102 42.543 42.580 -0.037 2
1 1156 . 1 1 A 102 102 ASP N N 102 118.482 118.754 -0.272 2
1 1157 . 1 1 A 103 103 ARG H H 103 8.208 7.502 0.706 2
1 1158 . 1 1 A 103 103 ARG HA H 103 4.772 4.884 -0.112 2
1 1165 . 1 1 A 103 103 ARG C C 103 178.000 176.201 1.799 2
1 1166 . 1 1 A 103 103 ARG CA C 103 54.079 54.032 0.047 2
1 1167 . 1 1 A 103 103 ARG CB C 103 33.914 34.399 -0.485 2
1 1170 . 1 1 A 103 103 ARG N N 103 116.043 117.868 -1.825 2
1 1171 . 1 1 A 104 104 VAL H H 104 8.516 8.753 -0.237 2
1 1172 . 1 1 A 104 104 VAL HA H 104 2.857 3.650 -0.793 2
1 1180 . 1 1 A 104 104 VAL C C 104 176.158 177.640 -1.482 2
1 1181 . 1 1 A 104 104 VAL CA C 104 64.625 65.179 -0.554 2
1 1182 . 1 1 A 104 104 VAL CB C 104 30.883 31.562 -0.679 2
1 1185 . 1 1 A 104 104 VAL N N 104 128.496 122.375 6.121 2
1 1186 . 1 1 A 105 105 GLU H H 105 9.414 8.215 1.199 2
1 1187 . 1 1 A 105 105 GLU HA H 105 3.989 4.063 -0.074 2
1 1192 . 1 1 A 105 105 GLU C C 105 179.982 179.403 0.579 2
1 1193 . 1 1 A 105 105 GLU CA C 105 60.599 59.584 1.015 2
1 1194 . 1 1 A 105 105 GLU CB C 105 27.973 29.421 -1.448 2
1 1196 . 1 1 A 105 105 GLU N N 105 121.934 121.088 0.846 2
1 1197 . 1 1 A 106 106 GLU H H 106 6.769 8.276 -1.507 2
1 1198 . 1 1 A 106 106 GLU HA H 106 4.370 4.085 0.285 2
1 1203 . 1 1 A 106 106 GLU C C 106 178.312 179.250 -0.938 2
1 1204 . 1 1 A 106 106 GLU CA C 106 58.503 59.214 -0.711 2
1 1205 . 1 1 A 106 106 GLU CB C 106 30.657 29.260 1.397 2
1 1207 . 1 1 A 106 106 GLU N N 106 116.721 120.520 -3.799 2
1 1208 . 1 1 A 107 107 LEU H H 107 7.161 7.713 -0.552 2
1 1209 . 1 1 A 107 107 LEU HA H 107 4.040 4.131 -0.091 2
1 1219 . 1 1 A 107 107 LEU C C 107 177.985 178.353 -0.368 2
1 1220 . 1 1 A 107 107 LEU CA C 107 58.930 58.165 0.765 2
1 1221 . 1 1 A 107 107 LEU CB C 107 40.058 42.049 -1.991 2
1 1225 . 1 1 A 107 107 LEU N N 107 122.171 122.374 -0.203 2
1 1226 . 1 1 A 108 108 PHE H H 108 7.986 8.317 -0.331 2
1 1227 . 1 1 A 108 108 PHE HA H 108 4.199 4.058 0.141 2
1 1234 . 1 1 A 108 108 PHE C C 108 178.069 177.829 0.240 2
1 1235 . 1 1 A 108 108 PHE CA C 108 61.167 61.124 0.043 2
1 1236 . 1 1 A 108 108 PHE CB C 108 38.208 38.482 -0.274 2
1 1241 . 1 1 A 108 108 PHE N N 108 116.696 118.847 -2.151 2
1 1242 . 1 1 A 109 109 GLU H H 109 7.719 8.569 -0.850 2
1 1243 . 1 1 A 109 109 GLU HA H 109 3.951 4.029 -0.078 2
1 1248 . 1 1 A 109 109 GLU C C 109 179.858 179.071 0.787 2
1 1249 . 1 1 A 109 109 GLU CA C 109 59.664 59.193 0.471 2
1 1250 . 1 1 A 109 109 GLU CB C 109 29.923 29.433 0.490 2
1 1252 . 1 1 A 109 109 GLU N N 109 119.214 119.786 -0.572 2
1 1253 . 1 1 A 110 110 TRP H H 110 8.445 7.939 0.506 2
1 1254 . 1 1 A 110 110 TRP HA H 110 3.634 4.234 -0.600 2
1 1263 . 1 1 A 110 110 TRP C C 110 177.691 178.869 -1.178 2
1 1264 . 1 1 A 110 110 TRP CA C 110 62.078 60.236 1.842 2
1 1265 . 1 1 A 110 110 TRP CB C 110 29.275 28.899 0.376 2
1 1271 . 1 1 A 110 110 TRP N N 110 120.045 120.676 -0.631 2
1 1273 . 1 1 A 111 111 PHE H H 111 8.668 7.826 0.842 2
1 1274 . 1 1 A 111 111 PHE HA H 111 3.436 4.006 -0.570 2
1 1282 . 1 1 A 111 111 PHE C C 111 176.547 177.703 -1.156 2
1 1283 . 1 1 A 111 111 PHE CA C 111 62.182 61.413 0.769 2
1 1284 . 1 1 A 111 111 PHE CB C 111 39.904 37.422 2.482 2
1 1290 . 1 1 A 111 111 PHE N N 111 117.907 117.732 0.175 2
1 1291 . 1 1 A 112 112 GLN H H 112 8.254 7.989 0.265 2
1 1292 . 1 1 A 112 112 GLN HA H 112 3.685 3.867 -0.182 2
1 1299 . 1 1 A 112 112 GLN C C 112 178.503 178.083 0.420 2
1 1300 . 1 1 A 112 112 GLN CA C 112 58.624 58.718 -0.094 2
1 1301 . 1 1 A 112 112 GLN CB C 112 27.980 28.417 -0.437 2
1 1303 . 1 1 A 112 112 GLN N N 112 116.394 120.852 -4.458 2
1 1305 . 1 1 A 113 113 SER H H 113 7.741 7.498 0.243 2
1 1306 . 1 1 A 113 113 SER HA H 113 4.036 4.378 -0.342 2
1 1309 . 1 1 A 113 113 SER C C 113 176.428 176.964 -0.536 2
1 1310 . 1 1 A 113 113 SER CA C 113 62.062 61.676 0.386 2
1 1311 . 1 1 A 113 113 SER CB C 113 62.655 62.775 -0.120 2
1 1312 . 1 1 A 113 113 SER N N 113 114.734 115.448 -0.714 2
1 1313 . 1 1 A 114 114 ILE H H 114 7.915 7.812 0.103 2
1 1314 . 1 1 A 114 114 ILE HA H 114 3.559 3.658 -0.099 2
1 1324 . 1 1 A 114 114 ILE C C 114 178.594 178.393 0.201 2
1 1325 . 1 1 A 114 114 ILE CA C 114 65.364 65.137 0.227 2
1 1326 . 1 1 A 114 114 ILE CB C 114 38.395 37.474 0.921 2
1 1330 . 1 1 A 114 114 ILE N N 114 119.893 121.473 -1.580 2
1 1331 . 1 1 A 115 115 ARG H H 115 8.581 7.999 0.582 2
1 1332 . 1 1 A 115 115 ARG HA H 115 3.881 4.275 -0.394 2
1 1339 . 1 1 A 115 115 ARG C C 115 177.921 179.219 -1.298 2
1 1340 . 1 1 A 115 115 ARG CA C 115 58.689 59.476 -0.787 2
1 1341 . 1 1 A 115 115 ARG CB C 115 29.134 29.728 -0.594 2
1 1344 . 1 1 A 115 115 ARG N N 115 123.090 121.210 1.880 2
1 1345 . 1 1 A 116 116 GLU H H 116 7.653 8.095 -0.442 2
1 1346 . 1 1 A 116 116 GLU HA H 116 3.959 4.145 -0.186 2
1 1351 . 1 1 A 116 116 GLU C C 116 178.178 177.549 0.629 2
1 1352 . 1 1 A 116 116 GLU CA C 116 58.767 58.828 -0.061 2
1 1353 . 1 1 A 116 116 GLU CB C 116 29.501 29.535 -0.034 2
1 1355 . 1 1 A 116 116 GLU N N 116 116.356 119.003 -2.647 2
1 1356 . 1 1 A 117 117 ILE H H 117 7.334 7.510 -0.175 2
1 1357 . 1 1 A 117 117 ILE HA H 117 3.909 4.127 -0.218 2
1 1367 . 1 1 A 117 117 ILE C C 117 177.733 177.559 0.174 2
1 1368 . 1 1 A 117 117 ILE CA C 117 63.443 62.639 0.804 2
1 1369 . 1 1 A 117 117 ILE CB C 117 39.059 39.172 -0.113 2
1 1373 . 1 1 A 117 117 ILE N N 117 117.514 118.017 -0.503 2
1 1374 . 1 1 A 118 118 THR H H 118 8.075 7.600 0.475 2
1 1375 . 1 1 A 118 118 THR HA H 118 4.367 4.509 -0.142 2
1 1380 . 1 1 A 118 118 THR C C 118 176.050 175.757 0.293 2
1 1381 . 1 1 A 118 118 THR CA C 118 63.494 63.399 0.095 2
1 1382 . 1 1 A 118 118 THR CB C 118 70.326 69.636 0.690 2
1 1384 . 1 1 A 118 118 THR N N 118 109.879 111.542 -1.663 2
1 1385 . 1 1 A 119 119 TRP H H 119 8.283 8.229 0.054 2
1 1386 . 1 1 A 119 119 TRP HA H 119 4.792 4.464 0.328 2
1 1395 . 1 1 A 119 119 TRP C C 119 175.855 176.025 -0.170 2
1 1396 . 1 1 A 119 119 TRP CA C 119 57.464 59.497 -2.033 2
1 1397 . 1 1 A 119 119 TRP CB C 119 29.488 30.239 -0.751 2
1 1403 . 1 1 A 119 119 TRP N N 119 124.034 123.188 0.847 2
1 1405 . 1 1 A 120 120 LYS H H 120 7.723 7.733 -0.010 2
1 1406 . 1 1 A 120 120 LYS HA H 120 4.198 4.608 -0.410 2
1 1415 . 1 1 A 120 120 LYS C C 120 176.162 175.283 0.879 2
1 1416 . 1 1 A 120 120 LYS CA C 120 56.049 55.287 0.762 2
1 1417 . 1 1 A 120 120 LYS CB C 120 32.924 34.626 -1.702 2
1 1421 . 1 1 A 120 120 LYS N N 120 123.166 118.001 5.165 2
1 1422 . 1 1 A 121 121 ILE H H 121 7.874 8.577 -0.703 2
1 1423 . 1 1 A 121 121 ILE HA H 121 4.035 4.580 -0.545 2
1 1433 . 1 1 A 121 121 ILE C C 121 175.950 174.444 1.506 2
1 1434 . 1 1 A 121 121 ILE CA C 121 61.120 60.495 0.625 2
1 1435 . 1 1 A 121 121 ILE CB C 121 38.708 39.251 -0.543 2
1 1439 . 1 1 A 121 121 ILE N N 121 121.301 123.640 -2.339 2
1 1440 . 1 1 A 122 122 ASP H H 122 8.317 8.798 -0.481 2
1 1441 . 1 1 A 122 122 ASP HA H 122 4.677 5.008 -0.331 2
1 1444 . 1 1 A 122 122 ASP C C 122 176.278 175.743 0.535 2
1 1445 . 1 1 A 122 122 ASP CA C 122 54.157 53.467 0.690 2
1 1446 . 1 1 A 122 122 ASP CB C 122 41.316 42.366 -1.050 2
1 1447 . 1 1 A 122 122 ASP N N 122 124.058 127.068 -3.010 2
1 1448 . 1 1 A 123 123 THR H H 123 8.003 8.534 -0.531 2
1 1449 . 1 1 A 123 123 THR HA H 123 4.307 4.565 -0.258 2
1 1454 . 1 1 A 123 123 THR C C 123 173.831 174.168 -0.337 2
1 1455 . 1 1 A 123 123 THR CA C 123 61.715 62.066 -0.351 2
1 1456 . 1 1 A 123 123 THR CB C 123 69.736 70.237 -0.501 2
1 1458 . 1 1 A 123 123 THR N N 123 114.853 116.406 -1.553 2
stop_
save_