data_15989_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15989
_Entry.PDB_ID 2K9N
_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 16 . 1 1 1 A 2 2 VAL H H 2 8.319 8.547 -0.228 1
1 17 . 1 1 1 A 2 2 VAL HA H 2 4.096 4.073 0.023 1
1 25 . 1 1 1 A 2 2 VAL C C 2 176.167 177.523 -1.356 1
1 26 . 1 1 1 A 2 2 VAL CA C 2 67.781 61.798 5.983 1
1 27 . 1 1 1 A 2 2 VAL CB C 2 32.484 31.643 0.841 1
1 30 . 1 1 1 A 2 2 VAL N N 2 122.596 125.253 -2.657 1
1 31 . 1 1 1 A 3 3 LYS H H 3 8.470 8.542 -0.072 1
1 32 . 1 1 1 A 3 3 LYS HA H 3 4.327 3.876 0.451 1
1 41 . 1 1 1 A 3 3 LYS C C 3 176.713 176.962 -0.249 1
1 42 . 1 1 1 A 3 3 LYS CA C 3 56.391 59.914 -3.523 1
1 43 . 1 1 1 A 3 3 LYS CB C 3 32.723 32.153 0.570 1
1 47 . 1 1 1 A 3 3 LYS N N 3 127.359 123.905 3.454 1
1 48 . 1 1 1 A 4 4 PHE H H 4 8.471 7.183 1.288 1
1 49 . 1 1 1 A 4 4 PHE HA H 4 4.491 4.593 -0.102 1
1 57 . 1 1 1 A 4 4 PHE C C 4 177.923 175.165 2.758 1
1 58 . 1 1 1 A 4 4 PHE CA C 4 57.566 56.152 1.414 1
1 59 . 1 1 1 A 4 4 PHE CB C 4 39.751 40.220 -0.469 1
1 65 . 1 1 1 A 4 4 PHE N N 4 125.570 116.703 8.867 1
1 66 . 1 1 1 A 5 5 THR H H 5 8.880 8.468 0.412 1
1 67 . 1 1 1 A 5 5 THR HA H 5 4.490 4.677 -0.187 1
1 72 . 1 1 1 A 5 5 THR C C 5 175.297 175.705 -0.408 1
1 73 . 1 1 1 A 5 5 THR CA C 5 60.140 60.403 -0.263 1
1 74 . 1 1 1 A 5 5 THR CB C 5 70.922 70.628 0.294 1
1 76 . 1 1 1 A 5 5 THR N N 5 114.601 115.264 -0.663 1
1 77 . 1 1 1 A 6 6 GLU H H 6 9.000 9.072 -0.072 1
1 78 . 1 1 1 A 6 6 GLU HA H 6 4.142 4.143 -0.001 1
1 83 . 1 1 1 A 6 6 GLU C C 6 179.326 178.342 0.984 1
1 84 . 1 1 1 A 6 6 GLU CA C 6 59.675 60.092 -0.417 1
1 85 . 1 1 1 A 6 6 GLU CB C 6 29.203 29.273 -0.070 1
1 87 . 1 1 1 A 6 6 GLU N N 6 121.577 127.395 -5.818 1
1 88 . 1 1 1 A 7 7 GLU H H 7 8.658 8.219 0.439 1
1 89 . 1 1 1 A 7 7 GLU HA H 7 4.026 3.996 0.030 1
1 94 . 1 1 1 A 7 7 GLU C C 7 179.616 178.797 0.819 1
1 95 . 1 1 1 A 7 7 GLU CA C 7 59.683 59.471 0.212 1
1 96 . 1 1 1 A 7 7 GLU CB C 7 28.972 29.278 -0.306 1
1 98 . 1 1 1 A 7 7 GLU N N 7 118.231 120.129 -1.898 1
1 99 . 1 1 1 A 8 8 GLU H H 8 7.930 8.472 -0.542 1
1 100 . 1 1 1 A 8 8 GLU HA H 8 3.955 4.040 -0.085 1
1 105 . 1 1 1 A 8 8 GLU C C 8 178.395 178.052 0.343 1
1 106 . 1 1 1 A 8 8 GLU CA C 8 59.672 59.394 0.278 1
1 107 . 1 1 1 A 8 8 GLU CB C 8 31.318 29.192 2.126 1
1 109 . 1 1 1 A 8 8 GLU N N 8 121.169 119.850 1.319 1
1 110 . 1 1 1 A 9 9 ASP H H 9 8.507 7.996 0.511 1
1 111 . 1 1 1 A 9 9 ASP HA H 9 4.677 4.156 0.521 1
1 114 . 1 1 1 A 9 9 ASP C C 9 179.329 177.718 1.611 1
1 115 . 1 1 1 A 9 9 ASP CA C 9 57.562 56.887 0.675 1
1 116 . 1 1 1 A 9 9 ASP CB C 9 40.217 41.313 -1.096 1
1 117 . 1 1 1 A 9 9 ASP N N 9 121.164 119.993 1.171 1
1 118 . 1 1 1 A 10 10 LEU H H 10 8.042 7.615 0.427 1
1 119 . 1 1 1 A 10 10 LEU HA H 10 4.143 4.065 0.078 1
1 129 . 1 1 1 A 10 10 LEU C C 10 179.329 178.873 0.456 1
1 130 . 1 1 1 A 10 10 LEU CA C 10 57.796 57.387 0.409 1
1 131 . 1 1 1 A 10 10 LEU CB C 10 41.392 41.356 0.036 1
1 135 . 1 1 1 A 10 10 LEU N N 10 120.628 119.550 1.078 1
1 136 . 1 1 1 A 11 11 LYS H H 11 8.040 8.439 -0.399 1
1 137 . 1 1 1 A 11 11 LYS HA H 11 4.049 3.949 0.100 1
1 146 . 1 1 1 A 11 11 LYS C C 11 178.345 179.112 -0.767 1
1 147 . 1 1 1 A 11 11 LYS CA C 11 59.199 60.541 -1.342 1
1 148 . 1 1 1 A 11 11 LYS CB C 11 32.488 32.192 0.296 1
1 152 . 1 1 1 A 11 11 LYS N N 11 121.016 118.693 2.323 1
1 153 . 1 1 1 A 12 12 LEU H H 12 8.865 8.217 0.648 1
1 154 . 1 1 1 A 12 12 LEU HA H 12 4.258 3.924 0.334 1
1 164 . 1 1 1 A 12 12 LEU C C 12 178.298 179.199 -0.901 1
1 165 . 1 1 1 A 12 12 LEU CA C 12 58.500 57.909 0.591 1
1 166 . 1 1 1 A 12 12 LEU CB C 12 41.389 41.471 -0.082 1
1 169 . 1 1 1 A 12 12 LEU N N 12 120.138 120.429 -0.291 1
1 170 . 1 1 1 A 13 13 GLN H H 13 8.400 7.705 0.695 1
1 171 . 1 1 1 A 13 13 GLN HA H 13 4.097 3.958 0.139 1
1 178 . 1 1 1 A 13 13 GLN C C 13 178.254 177.854 0.400 1
1 179 . 1 1 1 A 13 13 GLN CA C 13 59.693 59.330 0.363 1
1 180 . 1 1 1 A 13 13 GLN CB C 13 28.733 28.391 0.342 1
1 182 . 1 1 1 A 13 13 GLN N N 13 117.136 118.538 -1.402 1
1 184 . 1 1 1 A 14 14 GLN H H 14 8.175 7.591 0.584 1
1 185 . 1 1 1 A 14 14 GLN HA H 14 3.980 4.158 -0.178 1
1 192 . 1 1 1 A 14 14 GLN C C 14 179.518 178.661 0.857 1
1 193 . 1 1 1 A 14 14 GLN CA C 14 58.745 58.159 0.586 1
1 194 . 1 1 1 A 14 14 GLN CB C 14 28.034 28.946 -0.912 1
1 196 . 1 1 1 A 14 14 GLN N N 14 117.947 118.087 -0.140 1
1 198 . 1 1 1 A 15 15 LEU H H 15 8.721 8.503 0.218 1
1 199 . 1 1 1 A 15 15 LEU HA H 15 4.143 3.925 0.218 1
1 209 . 1 1 1 A 15 15 LEU C C 15 178.956 179.129 -0.173 1
1 210 . 1 1 1 A 15 15 LEU CA C 15 57.562 58.057 -0.495 1
1 211 . 1 1 1 A 15 15 LEU CB C 15 42.801 42.371 0.430 1
1 215 . 1 1 1 A 15 15 LEU N N 15 120.641 120.219 0.422 1
1 216 . 1 1 1 A 16 16 VAL H H 16 8.603 8.472 0.131 1
1 217 . 1 1 1 A 16 16 VAL HA H 16 3.230 3.401 -0.171 1
1 225 . 1 1 1 A 16 16 VAL C C 16 179.988 178.073 1.915 1
1 226 . 1 1 1 A 16 16 VAL CA C 16 65.733 66.843 -1.110 1
1 227 . 1 1 1 A 16 16 VAL CB C 16 30.609 31.484 -0.875 1
1 230 . 1 1 1 A 16 16 VAL N N 16 120.873 117.512 3.361 1
1 231 . 1 1 1 A 17 17 MET H H 17 8.058 8.136 -0.078 1
1 232 . 1 1 1 A 17 17 MET HA H 17 4.050 4.163 -0.113 1
1 237 . 1 1 1 A 17 17 MET C C 17 177.501 178.421 -0.920 1
1 238 . 1 1 1 A 17 17 MET CA C 17 58.270 58.154 0.116 1
1 239 . 1 1 1 A 17 17 MET CB C 17 31.784 32.304 -0.520 1
1 241 . 1 1 1 A 17 17 MET N N 17 119.240 120.434 -1.194 1
1 242 . 1 1 1 A 18 18 ARG H H 18 7.406 7.942 -0.536 1
1 243 . 1 1 1 A 18 18 ARG HA H 18 3.957 3.892 0.065 1
1 250 . 1 1 1 A 18 18 ARG C C 18 177.691 177.312 0.379 1
1 251 . 1 1 1 A 18 18 ARG CA C 18 58.301 58.237 0.064 1
1 252 . 1 1 1 A 18 18 ARG CB C 18 30.842 29.818 1.024 1
1 255 . 1 1 1 A 18 18 ARG N N 18 117.487 120.642 -3.155 1
1 256 . 1 1 1 A 19 19 TYR H H 19 8.571 7.466 1.105 1
1 257 . 1 1 1 A 19 19 TYR HA H 19 4.490 4.477 0.013 1
1 264 . 1 1 1 A 19 19 TYR C C 19 176.706 175.987 0.719 1
1 265 . 1 1 1 A 19 19 TYR CA C 19 58.739 57.681 1.058 1
1 266 . 1 1 1 A 19 19 TYR CB C 19 39.044 38.621 0.423 1
1 271 . 1 1 1 A 19 19 TYR N N 19 115.284 115.402 -0.118 1
1 272 . 1 1 1 A 20 20 GLY H H 20 8.148 9.472 -1.324 1
1 273 . 1 1 1 A 20 20 GLY HA2 H 20 3.609 3.862 -0.253 1
1 274 . 1 1 1 A 20 20 GLY HA3 H 20 4.137 3.894 0.243 1
1 275 . 1 1 1 A 20 20 GLY C C 20 171.784 173.687 -1.903 1
1 276 . 1 1 1 A 20 20 GLY CA C 20 43.972 46.510 -2.538 1
1 277 . 1 1 1 A 20 20 GLY N N 20 110.830 108.581 2.249 1
1 278 . 1 1 1 A 21 21 ALA H H 21 7.886 7.493 0.393 1
1 279 . 1 1 1 A 21 21 ALA HA H 21 3.400 3.817 -0.417 1
1 283 . 1 1 1 A 21 21 ALA C C 21 176.002 176.705 -0.703 1
1 284 . 1 1 1 A 21 21 ALA CA C 21 49.825 50.870 -1.045 1
1 285 . 1 1 1 A 21 21 ALA CB C 21 17.960 17.934 0.026 1
1 286 . 1 1 1 A 21 21 ALA N N 21 119.337 121.950 -2.613 1
1 287 . 1 1 1 A 22 22 LYS H H 22 7.424 7.463 -0.039 1
1 288 . 1 1 1 A 22 22 LYS HA H 22 4.258 4.500 -0.242 1
1 297 . 1 1 1 A 22 22 LYS C C 22 175.769 176.100 -0.331 1
1 298 . 1 1 1 A 22 22 LYS CA C 22 55.921 56.493 -0.572 1
1 299 . 1 1 1 A 22 22 LYS CB C 22 33.371 34.691 -1.320 1
1 303 . 1 1 1 A 22 22 LYS N N 22 115.793 114.209 1.584 1
1 304 . 1 1 1 A 23 23 ASP H H 23 7.724 7.487 0.237 1
1 305 . 1 1 1 A 23 23 ASP HA H 23 4.700 4.946 -0.246 1
1 308 . 1 1 1 A 23 23 ASP C C 23 176.142 176.195 -0.053 1
1 309 . 1 1 1 A 23 23 ASP CA C 23 51.704 53.048 -1.344 1
1 310 . 1 1 1 A 23 23 ASP CB C 23 39.514 40.586 -1.072 1
1 311 . 1 1 1 A 23 23 ASP N N 23 119.398 118.365 1.033 1
1 312 . 1 1 1 A 24 24 TRP H H 24 8.035 7.585 0.450 1
1 313 . 1 1 1 A 24 24 TRP HA H 24 4.258 4.197 0.061 1
1 322 . 1 1 1 A 24 24 TRP C C 24 178.252 178.809 -0.557 1
1 323 . 1 1 1 A 24 24 TRP CA C 24 58.736 59.678 -0.942 1
1 324 . 1 1 1 A 24 24 TRP CB C 24 28.970 29.388 -0.418 1
1 330 . 1 1 1 A 24 24 TRP N N 24 123.130 120.310 2.820 1
1 332 . 1 1 1 A 25 25 ILE H H 25 8.092 7.706 0.386 1
1 333 . 1 1 1 A 25 25 ILE HA H 25 3.724 3.751 -0.027 1
1 343 . 1 1 1 A 25 25 ILE C C 25 177.806 177.716 0.090 1
1 344 . 1 1 1 A 25 25 ILE CA C 25 65.060 64.668 0.392 1
1 345 . 1 1 1 A 25 25 ILE CB C 25 36.234 37.373 -1.139 1
1 349 . 1 1 1 A 25 25 ILE N N 25 121.518 116.884 4.634 1
1 350 . 1 1 1 A 26 26 ARG H H 26 7.503 7.777 -0.274 1
1 351 . 1 1 1 A 26 26 ARG HA H 26 3.864 3.950 -0.086 1
1 358 . 1 1 1 A 26 26 ARG C C 26 178.303 178.776 -0.473 1
1 359 . 1 1 1 A 26 26 ARG CA C 26 58.267 58.895 -0.628 1
1 360 . 1 1 1 A 26 26 ARG CB C 26 29.680 29.681 -0.001 1
1 363 . 1 1 1 A 26 26 ARG N N 26 122.119 120.807 1.312 1
1 364 . 1 1 1 A 27 27 ILE H H 27 7.340 7.780 -0.440 1
1 365 . 1 1 1 A 27 27 ILE HA H 27 3.450 3.661 -0.211 1
1 375 . 1 1 1 A 27 27 ILE C C 27 177.689 178.632 -0.943 1
1 376 . 1 1 1 A 27 27 ILE CA C 27 63.893 65.090 -1.197 1
1 377 . 1 1 1 A 27 27 ILE CB C 27 36.474 37.326 -0.852 1
1 381 . 1 1 1 A 27 27 ILE N N 27 115.446 119.868 -4.422 1
1 382 . 1 1 1 A 28 28 SER H H 28 8.203 8.379 -0.176 1
1 383 . 1 1 1 A 28 28 SER HA H 28 4.144 4.307 -0.163 1
1 386 . 1 1 1 A 28 28 SER C C 28 177.220 177.122 0.098 1
1 387 . 1 1 1 A 28 28 SER CA C 28 61.085 61.466 -0.381 1
1 388 . 1 1 1 A 28 28 SER CB C 28 63.421 63.041 0.380 1
1 389 . 1 1 1 A 28 28 SER N N 28 113.324 117.071 -3.747 1
1 390 . 1 1 1 A 29 29 GLN H H 29 8.177 7.565 0.612 1
1 391 . 1 1 1 A 29 29 GLN HA H 29 4.003 4.060 -0.057 1
1 398 . 1 1 1 A 29 29 GLN C C 29 178.910 178.720 0.190 1
1 399 . 1 1 1 A 29 29 GLN CA C 29 58.503 58.862 -0.359 1
1 400 . 1 1 1 A 29 29 GLN CB C 29 27.796 28.192 -0.396 1
1 402 . 1 1 1 A 29 29 GLN N N 29 120.561 121.523 -0.962 1
1 404 . 1 1 1 A 30 30 LEU H H 30 7.494 7.486 0.008 1
1 405 . 1 1 1 A 30 30 LEU HA H 30 4.258 3.998 0.260 1
1 415 . 1 1 1 A 30 30 LEU C C 30 178.956 177.317 1.639 1
1 416 . 1 1 1 A 30 30 LEU CA C 30 55.675 57.606 -1.931 1
1 417 . 1 1 1 A 30 30 LEU CB C 30 42.559 41.521 1.038 1
1 421 . 1 1 1 A 30 30 LEU N N 30 118.106 120.271 -2.165 1
1 422 . 1 1 1 A 31 31 MET H H 31 8.399 7.295 1.104 1
1 423 . 1 1 1 A 31 31 MET HA H 31 4.329 4.834 -0.505 1
1 428 . 1 1 1 A 31 31 MET C C 31 179.515 176.115 3.400 1
1 429 . 1 1 1 A 31 31 MET CA C 31 55.921 54.244 1.677 1
1 430 . 1 1 1 A 31 31 MET CB C 31 31.310 32.316 -1.006 1
1 432 . 1 1 1 A 31 31 MET N N 31 120.008 116.180 3.828 1
1 433 . 1 1 1 A 32 32 ILE H H 32 8.177 8.210 -0.033 1
1 434 . 1 1 1 A 32 32 ILE HA H 32 3.423 4.171 -0.748 1
1 444 . 1 1 1 A 32 32 ILE C C 32 179.473 176.762 2.711 1
1 445 . 1 1 1 A 32 32 ILE CA C 32 67.639 63.148 4.491 1
1 446 . 1 1 1 A 32 32 ILE CB C 32 35.767 37.897 -2.130 1
1 450 . 1 1 1 A 32 32 ILE N N 32 114.338 119.863 -5.525 1
1 451 . 1 1 1 A 33 33 THR H H 33 8.957 7.765 1.192 1
1 452 . 1 1 1 A 33 33 THR HA H 33 4.143 4.302 -0.159 1
1 457 . 1 1 1 A 33 33 THR C C 33 174.361 174.315 0.046 1
1 458 . 1 1 1 A 33 33 THR CA C 33 62.251 63.248 -0.997 1
1 459 . 1 1 1 A 33 33 THR CB C 33 68.581 68.854 -0.273 1
1 461 . 1 1 1 A 33 33 THR N N 33 110.164 114.750 -4.586 1
1 462 . 1 1 1 A 34 34 ARG H H 34 6.509 7.540 -1.031 1
1 463 . 1 1 1 A 34 34 ARG HA H 34 4.862 4.946 -0.084 1
1 470 . 1 1 1 A 34 34 ARG C C 34 174.922 174.507 0.415 1
1 471 . 1 1 1 A 34 34 ARG CA C 34 51.939 54.255 -2.316 1
1 472 . 1 1 1 A 34 34 ARG CB C 34 36.061 33.356 2.705 1
1 475 . 1 1 1 A 34 34 ARG N N 34 116.058 118.196 -2.138 1
1 476 . 1 1 1 A 35 35 ASN H H 35 8.733 8.815 -0.082 1
1 477 . 1 1 1 A 35 35 ASN HA H 35 4.810 5.115 -0.305 1
1 482 . 1 1 1 A 35 35 ASN C C 35 173.986 175.193 -1.207 1
1 483 . 1 1 1 A 35 35 ASN CA C 35 52.107 51.605 0.502 1
1 484 . 1 1 1 A 35 35 ASN CB C 35 36.636 38.165 -1.529 1
1 485 . 1 1 1 A 35 35 ASN N N 35 122.840 118.326 4.514 1
1 487 . 1 1 1 A 36 36 PRO HA H 36 4.197 4.614 -0.417 1
1 494 . 1 1 1 A 36 36 PRO C C 36 178.019 178.793 -0.774 1
1 495 . 1 1 1 A 36 36 PRO CA C 36 67.412 65.462 1.950 1
1 496 . 1 1 1 A 36 36 PRO CB C 36 32.018 31.927 0.091 1
1 499 . 1 1 1 A 37 37 ARG H H 37 7.804 8.497 -0.693 1
1 500 . 1 1 1 A 37 37 ARG HA H 37 3.749 3.845 -0.096 1
1 507 . 1 1 1 A 37 37 ARG C C 37 178.300 178.936 -0.636 1
1 508 . 1 1 1 A 37 37 ARG CA C 37 59.202 58.802 0.400 1
1 509 . 1 1 1 A 37 37 ARG CB C 37 29.435 29.442 -0.007 1
1 512 . 1 1 1 A 37 37 ARG N N 37 117.759 118.740 -0.981 1
1 513 . 1 1 1 A 38 38 GLN H H 38 8.682 8.144 0.538 1
1 514 . 1 1 1 A 38 38 GLN HA H 38 4.043 4.057 -0.014 1
1 521 . 1 1 1 A 38 38 GLN C C 38 180.078 178.715 1.363 1
1 522 . 1 1 1 A 38 38 GLN CA C 38 58.506 59.206 -0.700 1
1 523 . 1 1 1 A 38 38 GLN CB C 38 29.431 28.740 0.691 1
1 525 . 1 1 1 A 38 38 GLN N N 38 117.504 119.200 -1.696 1
1 527 . 1 1 1 A 39 39 CYS H H 39 8.095 7.909 0.186 1
1 528 . 1 1 1 A 39 39 CYS HA H 39 4.059 4.227 -0.168 1
1 531 . 1 1 1 A 39 39 CYS C C 39 173.893 176.973 -3.080 1
1 532 . 1 1 1 A 39 39 CYS CA C 39 64.592 63.107 1.485 1
1 533 . 1 1 1 A 39 39 CYS CB C 39 27.328 26.820 0.508 1
1 534 . 1 1 1 A 39 39 CYS N N 39 116.291 118.608 -2.317 1
1 535 . 1 1 1 A 40 40 ARG H H 40 7.589 7.551 0.038 1
1 536 . 1 1 1 A 40 40 ARG HA H 40 1.821 2.719 -0.898 1
1 543 . 1 1 1 A 40 40 ARG C C 40 178.204 178.424 -0.220 1
1 544 . 1 1 1 A 40 40 ARG CA C 40 58.264 58.727 -0.463 1
1 545 . 1 1 1 A 40 40 ARG CB C 40 29.440 28.796 0.644 1
1 548 . 1 1 1 A 40 40 ARG N N 40 121.272 121.784 -0.512 1
1 549 . 1 1 1 A 41 41 GLU H H 41 8.352 8.586 -0.234 1
1 550 . 1 1 1 A 41 41 GLU HA H 41 3.817 3.965 -0.148 1
1 555 . 1 1 1 A 41 41 GLU C C 41 178.718 179.491 -0.773 1
1 556 . 1 1 1 A 41 41 GLU CA C 41 58.971 59.356 -0.385 1
1 557 . 1 1 1 A 41 41 GLU CB C 41 28.972 29.221 -0.249 1
1 559 . 1 1 1 A 41 41 GLU N N 41 117.034 117.426 -0.392 1
1 560 . 1 1 1 A 42 42 ARG H H 42 7.755 7.595 0.160 1
1 561 . 1 1 1 A 42 42 ARG HA H 42 3.931 4.264 -0.333 1
1 568 . 1 1 1 A 42 42 ARG C C 42 179.333 178.704 0.629 1
1 569 . 1 1 1 A 42 42 ARG CA C 42 57.261 58.815 -1.554 1
1 570 . 1 1 1 A 42 42 ARG CB C 42 29.610 30.326 -0.716 1
1 573 . 1 1 1 A 42 42 ARG N N 42 119.603 119.799 -0.196 1
1 574 . 1 1 1 A 43 43 TRP H H 43 8.199 8.220 -0.021 1
1 575 . 1 1 1 A 43 43 TRP HA H 43 4.292 4.364 -0.072 1
1 579 . 1 1 1 A 43 43 TRP C C 43 176.705 178.646 -1.941 1
1 580 . 1 1 1 A 43 43 TRP CA C 43 57.006 61.322 -4.316 1
1 581 . 1 1 1 A 43 43 TRP CB C 43 29.620 29.693 -0.073 1
1 582 . 1 1 1 A 43 43 TRP N N 43 119.355 122.168 -2.813 1
1 584 . 1 1 1 A 44 44 ASN H H 44 8.478 8.505 -0.027 1
1 585 . 1 1 1 A 44 44 ASN HA H 44 4.177 4.188 -0.011 1
1 590 . 1 1 1 A 44 44 ASN C C 44 176.986 176.635 0.351 1
1 591 . 1 1 1 A 44 44 ASN CA C 44 55.457 55.658 -0.201 1
1 592 . 1 1 1 A 44 44 ASN CB C 44 38.347 37.345 1.002 1
1 593 . 1 1 1 A 44 44 ASN N N 44 113.530 117.047 -3.517 1
1 595 . 1 1 1 A 45 45 ASN H H 45 8.060 7.886 0.174 1
1 596 . 1 1 1 A 45 45 ASN HA H 45 4.630 4.735 -0.105 1
1 601 . 1 1 1 A 45 45 ASN C C 45 175.347 174.937 0.410 1
1 602 . 1 1 1 A 45 45 ASN CA C 45 53.350 53.594 -0.244 1
1 603 . 1 1 1 A 45 45 ASN CB C 45 39.047 39.407 -0.360 1
1 604 . 1 1 1 A 45 45 ASN N N 45 112.540 116.249 -3.709 1
1 606 . 1 1 1 A 46 46 TYR H H 46 7.443 8.013 -0.570 1
1 607 . 1 1 1 A 46 46 TYR HA H 46 4.447 4.897 -0.450 1
1 614 . 1 1 1 A 46 46 TYR C C 46 175.439 175.096 0.343 1
1 615 . 1 1 1 A 46 46 TYR CA C 46 60.074 59.217 0.857 1
1 616 . 1 1 1 A 46 46 TYR CB C 46 40.383 40.579 -0.196 1
1 621 . 1 1 1 A 46 46 TYR N N 46 117.403 118.962 -1.559 1
1 622 . 1 1 1 A 47 47 ILE HA H 47 3.786 4.766 -0.980 1
1 632 . 1 1 1 A 47 47 ILE C C 47 175.440 174.264 1.176 1
1 633 . 1 1 1 A 47 47 ILE CA C 47 62.240 59.382 2.858 1
1 634 . 1 1 1 A 47 47 ILE CB C 47 38.670 41.113 -2.443 1
1 638 . 1 1 1 A 48 48 ASN H H 48 7.922 8.726 -0.804 1
1 639 . 1 1 1 A 48 48 ASN HA H 48 3.795 4.939 -1.144 1
1 642 . 1 1 1 A 48 48 ASN C C 48 174.640 175.555 -0.915 1
1 643 . 1 1 1 A 48 48 ASN N N 48 119.990 120.149 -0.159 1
1 645 . 1 1 1 A 49 49 PRO HA H 49 4.166 4.426 -0.260 1
1 652 . 1 1 1 A 49 49 PRO C C 49 177.408 176.500 0.908 1
1 653 . 1 1 1 A 49 49 PRO CA C 49 64.124 63.547 0.577 1
1 654 . 1 1 1 A 49 49 PRO CB C 49 31.313 32.627 -1.314 1
1 657 . 1 1 1 A 50 50 ALA H H 50 7.595 7.985 -0.390 1
1 658 . 1 1 1 A 50 50 ALA HA H 50 4.128 3.990 0.138 1
1 662 . 1 1 1 A 50 50 ALA C C 50 178.251 177.624 0.627 1
1 663 . 1 1 1 A 50 50 ALA CA C 50 52.642 52.994 -0.352 1
1 664 . 1 1 1 A 50 50 ALA CB C 50 18.422 17.275 1.147 1
1 665 . 1 1 1 A 50 50 ALA N N 50 120.036 120.416 -0.380 1
1 666 . 1 1 1 A 51 51 LEU H H 51 7.586 7.930 -0.344 1
1 667 . 1 1 1 A 51 51 LEU HA H 51 4.119 4.508 -0.389 1
1 677 . 1 1 1 A 51 51 LEU C C 51 177.686 177.550 0.136 1
1 678 . 1 1 1 A 51 51 LEU CA C 51 55.219 54.643 0.576 1
1 679 . 1 1 1 A 51 51 LEU CB C 51 41.883 41.729 0.154 1
1 683 . 1 1 1 A 51 51 LEU N N 51 118.197 116.208 1.989 1
1 684 . 1 1 1 A 52 52 ARG H H 52 8.013 8.368 -0.355 1
1 685 . 1 1 1 A 52 52 ARG HA H 52 4.334 4.164 0.170 1
1 692 . 1 1 1 A 52 52 ARG C C 52 176.658 176.460 0.198 1
1 693 . 1 1 1 A 52 52 ARG CA C 52 55.923 57.858 -1.935 1
1 694 . 1 1 1 A 52 52 ARG CB C 52 31.086 29.533 1.553 1
1 697 . 1 1 1 A 52 52 ARG N N 52 119.899 121.112 -1.213 1
1 698 . 1 1 1 A 53 53 THR H H 53 8.187 7.531 0.656 1
1 699 . 1 1 1 A 53 53 THR HA H 53 4.345 4.540 -0.195 1
1 704 . 1 1 1 A 53 53 THR C C 53 173.892 172.413 1.479 1
1 705 . 1 1 1 A 53 53 THR CA C 53 60.611 60.847 -0.236 1
1 706 . 1 1 1 A 53 53 THR CB C 53 69.514 69.058 0.456 1
1 708 . 1 1 1 A 53 53 THR N N 53 113.907 114.510 -0.603 1
1 709 . 1 1 1 A 54 54 ASP H H 54 8.430 8.786 -0.356 1
1 710 . 1 1 1 A 54 54 ASP HA H 54 4.810 5.201 -0.391 1
1 713 . 1 1 1 A 54 54 ASP C C 54 174.082 173.559 0.523 1
1 714 . 1 1 1 A 54 54 ASP CA C 54 52.578 51.531 1.047 1
1 715 . 1 1 1 A 54 54 ASP CB C 54 39.685 41.495 -1.810 1
1 716 . 1 1 1 A 54 54 ASP N N 54 123.174 126.765 -3.591 1
1 717 . 1 1 1 A 55 55 PRO HA H 55 4.561 4.428 0.133 1
1 724 . 1 1 1 A 55 55 PRO C C 55 177.127 176.841 0.286 1
1 725 . 1 1 1 A 55 55 PRO CA C 55 62.958 62.509 0.449 1
1 726 . 1 1 1 A 55 55 PRO CB C 55 32.013 32.343 -0.330 1
1 729 . 1 1 1 A 56 56 TRP H H 56 8.721 7.488 1.233 1
1 730 . 1 1 1 A 56 56 TRP HA H 56 4.351 4.989 -0.638 1
1 739 . 1 1 1 A 56 56 TRP C C 56 177.127 175.647 1.480 1
1 740 . 1 1 1 A 56 56 TRP CA C 56 57.796 56.300 1.496 1
1 741 . 1 1 1 A 56 56 TRP CB C 56 28.732 31.200 -2.468 1
1 747 . 1 1 1 A 56 56 TRP N N 56 124.713 120.414 4.299 1
1 749 . 1 1 1 A 57 57 SER H H 57 9.085 8.952 0.133 1
1 750 . 1 1 1 A 57 57 SER HA H 57 4.957 4.920 0.037 1
1 753 . 1 1 1 A 57 57 SER C C 57 173.562 174.680 -1.118 1
1 754 . 1 1 1 A 57 57 SER CA C 57 55.852 56.121 -0.269 1
1 755 . 1 1 1 A 57 57 SER CB C 57 63.824 65.603 -1.779 1
1 756 . 1 1 1 A 57 57 SER N N 57 122.041 115.169 6.872 1
1 757 . 1 1 1 A 58 58 PRO HA H 58 4.444 4.363 0.081 1
1 764 . 1 1 1 A 58 58 PRO C C 58 179.777 178.651 1.126 1
1 765 . 1 1 1 A 58 58 PRO CA C 58 65.071 65.070 0.001 1
1 766 . 1 1 1 A 58 58 PRO CB C 58 31.546 31.871 -0.325 1
1 769 . 1 1 1 A 59 59 GLU H H 59 8.788 8.434 0.354 1
1 770 . 1 1 1 A 59 59 GLU HA H 59 4.088 4.083 0.005 1
1 775 . 1 1 1 A 59 59 GLU C C 59 179.656 179.540 0.116 1
1 776 . 1 1 1 A 59 59 GLU CA C 59 60.373 60.174 0.199 1
1 777 . 1 1 1 A 59 59 GLU CB C 59 28.505 29.061 -0.556 1
1 779 . 1 1 1 A 59 59 GLU N N 59 117.546 118.112 -0.566 1
1 780 . 1 1 1 A 60 60 GLU H H 60 7.977 8.065 -0.088 1
1 781 . 1 1 1 A 60 60 GLU HA H 60 4.015 3.997 0.018 1
1 786 . 1 1 1 A 60 60 GLU C C 60 178.440 178.741 -0.301 1
1 787 . 1 1 1 A 60 60 GLU CA C 60 59.913 59.192 0.721 1
1 788 . 1 1 1 A 60 60 GLU CB C 60 31.541 29.119 2.422 1
1 790 . 1 1 1 A 60 60 GLU N N 60 122.264 120.156 2.108 1
1 791 . 1 1 1 A 61 61 ASP H H 61 8.267 8.097 0.170 1
1 792 . 1 1 1 A 61 61 ASP HA H 61 4.654 4.434 0.220 1
1 795 . 1 1 1 A 61 61 ASP C C 61 179.469 178.500 0.969 1
1 796 . 1 1 1 A 61 61 ASP CA C 61 57.562 57.968 -0.406 1
1 797 . 1 1 1 A 61 61 ASP CB C 61 39.987 42.111 -2.124 1
1 798 . 1 1 1 A 61 61 ASP N N 61 120.543 119.568 0.975 1
1 799 . 1 1 1 A 62 62 MET H H 62 8.139 8.646 -0.507 1
1 800 . 1 1 1 A 62 62 MET HA H 62 4.284 4.326 -0.042 1
1 805 . 1 1 1 A 62 62 MET C C 62 178.811 178.853 -0.042 1
1 806 . 1 1 1 A 62 62 MET CA C 62 58.505 58.302 0.203 1
1 807 . 1 1 1 A 62 62 MET CB C 62 32.251 32.724 -0.473 1
1 809 . 1 1 1 A 62 62 MET N N 62 119.343 118.082 1.261 1
1 810 . 1 1 1 A 63 63 LEU H H 63 7.959 8.216 -0.257 1
1 811 . 1 1 1 A 63 63 LEU HA H 63 4.212 4.032 0.180 1
1 821 . 1 1 1 A 63 63 LEU C C 63 177.642 178.954 -1.312 1
1 822 . 1 1 1 A 63 63 LEU CA C 63 57.562 57.117 0.445 1
1 823 . 1 1 1 A 63 63 LEU CB C 63 42.096 41.592 0.504 1
1 827 . 1 1 1 A 63 63 LEU N N 63 122.676 120.025 2.651 1
1 828 . 1 1 1 A 64 64 LEU H H 64 8.784 8.364 0.420 1
1 829 . 1 1 1 A 64 64 LEU HA H 64 4.119 4.028 0.091 1
1 839 . 1 1 1 A 64 64 LEU C C 64 177.515 177.960 -0.445 1
1 840 . 1 1 1 A 64 64 LEU CA C 64 58.738 57.362 1.376 1
1 841 . 1 1 1 A 64 64 LEU CB C 64 41.395 42.155 -0.760 1
1 845 . 1 1 1 A 64 64 LEU N N 64 120.877 119.320 1.557 1
1 846 . 1 1 1 A 65 65 ASP H H 65 8.085 8.057 0.028 1
1 847 . 1 1 1 A 65 65 ASP HA H 65 4.630 4.380 0.250 1
1 850 . 1 1 1 A 65 65 ASP C C 65 179.391 178.255 1.136 1
1 851 . 1 1 1 A 65 65 ASP CA C 65 57.566 57.435 0.131 1
1 852 . 1 1 1 A 65 65 ASP CB C 65 41.626 42.023 -0.397 1
1 853 . 1 1 1 A 65 65 ASP N N 65 118.583 119.222 -0.639 1
1 854 . 1 1 1 A 66 66 GLN H H 66 8.336 7.871 0.465 1
1 855 . 1 1 1 A 66 66 GLN HA H 66 4.050 4.167 -0.117 1
1 862 . 1 1 1 A 66 66 GLN C C 66 179.565 178.470 1.095 1
1 863 . 1 1 1 A 66 66 GLN CA C 66 58.739 58.340 0.399 1
1 864 . 1 1 1 A 66 66 GLN CB C 66 28.502 28.527 -0.025 1
1 866 . 1 1 1 A 66 66 GLN N N 66 118.725 117.890 0.835 1
1 868 . 1 1 1 A 67 67 LYS H H 67 9.126 7.519 1.607 1
1 869 . 1 1 1 A 67 67 LYS HA H 67 4.142 4.066 0.076 1
1 878 . 1 1 1 A 67 67 LYS C C 67 178.671 178.623 0.048 1
1 879 . 1 1 1 A 67 67 LYS CA C 67 56.156 58.846 -2.690 1
1 880 . 1 1 1 A 67 67 LYS CB C 67 31.550 32.717 -1.167 1
1 884 . 1 1 1 A 67 67 LYS N N 67 117.220 120.165 -2.945 1
1 885 . 1 1 1 A 68 68 TYR H H 68 9.361 8.733 0.628 1
1 886 . 1 1 1 A 68 68 TYR HA H 68 3.819 4.052 -0.233 1
1 893 . 1 1 1 A 68 68 TYR C C 68 179.235 177.407 1.828 1
1 894 . 1 1 1 A 68 68 TYR CA C 68 61.547 61.881 -0.334 1
1 895 . 1 1 1 A 68 68 TYR CB C 68 37.881 38.524 -0.643 1
1 900 . 1 1 1 A 68 68 TYR N N 68 123.884 120.529 3.355 1
1 901 . 1 1 1 A 69 69 ALA H H 69 7.810 8.006 -0.196 1
1 902 . 1 1 1 A 69 69 ALA HA H 69 3.980 4.047 -0.067 1
1 906 . 1 1 1 A 69 69 ALA C C 69 178.673 179.060 -0.387 1
1 907 . 1 1 1 A 69 69 ALA CA C 69 54.755 55.202 -0.447 1
1 908 . 1 1 1 A 69 69 ALA CB C 69 17.253 18.528 -1.275 1
1 909 . 1 1 1 A 69 69 ALA N N 69 121.733 121.583 0.150 1
1 910 . 1 1 1 A 70 70 GLU H H 70 7.091 7.849 -0.758 1
1 911 . 1 1 1 A 70 70 GLU HA H 70 3.848 4.042 -0.194 1
1 916 . 1 1 1 A 70 70 GLU C C 70 178.018 177.658 0.360 1
1 917 . 1 1 1 A 70 70 GLU CA C 70 58.566 58.198 0.368 1
1 918 . 1 1 1 A 70 70 GLU CB C 70 30.609 30.190 0.419 1
1 920 . 1 1 1 A 70 70 GLU N N 70 115.850 116.771 -0.921 1
1 921 . 1 1 1 A 71 71 TYR H H 71 8.270 7.828 0.442 1
1 922 . 1 1 1 A 71 71 TYR HA H 71 4.537 4.298 0.239 1
1 929 . 1 1 1 A 71 71 TYR C C 71 177.174 176.146 1.028 1
1 930 . 1 1 1 A 71 71 TYR CA C 71 57.796 59.319 -1.523 1
1 931 . 1 1 1 A 71 71 TYR CB C 71 40.219 38.715 1.504 1
1 936 . 1 1 1 A 71 71 TYR N N 71 114.509 116.600 -2.091 1
1 937 . 1 1 1 A 72 72 GLY H H 72 8.417 7.771 0.646 1
1 938 . 1 1 1 A 72 72 GLY HA2 H 72 3.720 2.612 1.108 1
1 939 . 1 1 1 A 72 72 GLY HA3 H 72 2.255 3.587 -1.332 1
1 940 . 1 1 1 A 72 72 GLY C C 72 172.111 173.755 -1.644 1
1 941 . 1 1 1 A 72 72 GLY CA C 72 43.439 43.744 -0.305 1
1 942 . 1 1 1 A 72 72 GLY N N 72 111.509 106.489 5.020 1
1 943 . 1 1 1 A 73 73 PRO HA H 73 2.587 2.975 -0.388 1
1 950 . 1 1 1 A 73 73 PRO C C 73 175.393 175.025 0.368 1
1 951 . 1 1 1 A 73 73 PRO CA C 73 62.018 62.912 -0.894 1
1 952 . 1 1 1 A 73 73 PRO CB C 73 28.033 31.862 -3.829 1
1 955 . 1 1 1 A 74 74 LYS H H 74 8.065 7.838 0.227 1
1 956 . 1 1 1 A 74 74 LYS HA H 74 4.259 4.276 -0.017 1
1 965 . 1 1 1 A 74 74 LYS C C 74 177.220 176.223 0.997 1
1 966 . 1 1 1 A 74 74 LYS CA C 74 52.641 54.622 -1.981 1
1 967 . 1 1 1 A 74 74 LYS CB C 74 30.145 30.180 -0.035 1
1 971 . 1 1 1 A 74 74 LYS N N 74 125.996 120.561 5.435 1
1 972 . 1 1 1 A 75 75 TRP H H 75 6.735 6.981 -0.246 1
1 973 . 1 1 1 A 75 75 TRP HA H 75 4.305 4.421 -0.116 1
1 982 . 1 1 1 A 75 75 TRP C C 75 177.174 178.442 -1.268 1
1 983 . 1 1 1 A 75 75 TRP CA C 75 58.969 60.093 -1.124 1
1 984 . 1 1 1 A 75 75 TRP CB C 75 29.668 28.828 0.840 1
1 990 . 1 1 1 A 75 75 TRP N N 75 122.056 121.876 0.180 1
1 992 . 1 1 1 A 76 76 ASN H H 76 8.732 8.358 0.374 1
1 993 . 1 1 1 A 76 76 ASN HA H 76 4.606 4.495 0.111 1
1 998 . 1 1 1 A 76 76 ASN C C 76 177.830 176.922 0.908 1
1 999 . 1 1 1 A 76 76 ASN CA C 76 55.925 56.340 -0.415 1
1 1000 . 1 1 1 A 76 76 ASN CB C 76 37.876 38.678 -0.802 1
1 1001 . 1 1 1 A 76 76 ASN N N 76 114.266 119.841 -5.575 1
1 1003 . 1 1 1 A 77 77 LYS H H 77 7.401 8.011 -0.610 1
1 1004 . 1 1 1 A 77 77 LYS HA H 77 3.979 3.990 -0.011 1
1 1013 . 1 1 1 A 77 77 LYS C C 77 178.859 179.157 -0.298 1
1 1014 . 1 1 1 A 77 77 LYS CA C 77 57.800 58.441 -0.641 1
1 1015 . 1 1 1 A 77 77 LYS CB C 77 31.545 32.435 -0.890 1
1 1019 . 1 1 1 A 77 77 LYS N N 77 120.857 118.593 2.264 1
1 1020 . 1 1 1 A 78 78 ILE H H 78 7.754 7.734 0.020 1
1 1021 . 1 1 1 A 78 78 ILE HA H 78 3.679 3.709 -0.030 1
1 1031 . 1 1 1 A 78 78 ILE C C 78 178.202 177.957 0.245 1
1 1032 . 1 1 1 A 78 78 ILE CA C 78 65.997 65.387 0.610 1
1 1033 . 1 1 1 A 78 78 ILE CB C 78 38.343 38.086 0.257 1
1 1037 . 1 1 1 A 78 78 ILE N N 78 118.290 121.315 -3.025 1
1 1038 . 1 1 1 A 79 79 SER H H 79 8.386 8.491 -0.105 1
1 1039 . 1 1 1 A 79 79 SER HA H 79 4.049 4.263 -0.214 1
1 1042 . 1 1 1 A 79 79 SER C C 79 175.627 176.541 -0.914 1
1 1043 . 1 1 1 A 79 79 SER CA C 79 61.084 61.515 -0.431 1
1 1044 . 1 1 1 A 79 79 SER CB C 79 62.720 62.614 0.106 1
1 1045 . 1 1 1 A 79 79 SER N N 79 114.363 115.033 -0.670 1
1 1046 . 1 1 1 A 80 80 LYS H H 80 7.017 7.979 -0.962 1
1 1047 . 1 1 1 A 80 80 LYS HA H 80 4.005 4.116 -0.111 1
1 1056 . 1 1 1 A 80 80 LYS C C 80 177.361 177.419 -0.058 1
1 1057 . 1 1 1 A 80 80 LYS CA C 80 57.098 57.919 -0.821 1
1 1058 . 1 1 1 A 80 80 LYS CB C 80 31.083 32.328 -1.245 1
1 1062 . 1 1 1 A 80 80 LYS N N 80 118.534 121.080 -2.546 1
1 1063 . 1 1 1 A 81 81 PHE H H 81 7.932 8.399 -0.467 1
1 1064 . 1 1 1 A 81 81 PHE HA H 81 4.467 4.309 0.158 1
1 1071 . 1 1 1 A 81 81 PHE C C 81 174.969 177.464 -2.495 1
1 1072 . 1 1 1 A 81 81 PHE CA C 81 58.500 60.541 -2.041 1
1 1073 . 1 1 1 A 81 81 PHE CB C 81 39.516 39.246 0.270 1
1 1078 . 1 1 1 A 81 81 PHE N N 81 114.880 117.468 -2.588 1
1 1079 . 1 1 1 A 82 82 LEU H H 82 7.487 7.295 0.192 1
1 1080 . 1 1 1 A 82 82 LEU HA H 82 4.666 4.295 0.371 1
1 1090 . 1 1 1 A 82 82 LEU C C 82 175.107 176.635 -1.528 1
1 1091 . 1 1 1 A 82 82 LEU CA C 82 52.875 56.555 -3.680 1
1 1092 . 1 1 1 A 82 82 LEU CB C 82 42.802 42.149 0.653 1
1 1096 . 1 1 1 A 82 82 LEU N N 82 122.945 118.944 4.001 1
1 1097 . 1 1 1 A 83 83 LYS H H 83 8.256 7.986 0.270 1
1 1098 . 1 1 1 A 83 83 LYS HA H 83 4.120 4.059 0.061 1
1 1107 . 1 1 1 A 83 83 LYS C C 83 176.236 176.298 -0.062 1
1 1108 . 1 1 1 A 83 83 LYS CA C 83 56.630 57.700 -1.070 1
1 1109 . 1 1 1 A 83 83 LYS CB C 83 31.786 29.629 2.157 1
1 1113 . 1 1 1 A 83 83 LYS N N 83 118.856 116.134 2.722 1
1 1114 . 1 1 1 A 84 84 ASN H H 84 8.684 8.239 0.445 1
1 1115 . 1 1 1 A 84 84 ASN HA H 84 4.304 4.871 -0.567 1
1 1120 . 1 1 1 A 84 84 ASN C C 84 173.846 174.825 -0.979 1
1 1121 . 1 1 1 A 84 84 ASN CA C 84 53.816 53.392 0.424 1
1 1122 . 1 1 1 A 84 84 ASN CB C 84 37.176 40.465 -3.289 1
1 1123 . 1 1 1 A 84 84 ASN N N 84 116.099 114.692 1.407 1
1 1125 . 1 1 1 A 85 85 ARG H H 85 7.665 7.733 -0.068 1
1 1126 . 1 1 1 A 85 85 ARG HA H 85 4.675 4.858 -0.183 1
1 1132 . 1 1 1 A 85 85 ARG C C 85 175.529 174.717 0.812 1
1 1133 . 1 1 1 A 85 85 ARG CA C 85 53.112 54.237 -1.125 1
1 1134 . 1 1 1 A 85 85 ARG CB C 85 31.783 33.614 -1.831 1
1 1137 . 1 1 1 A 85 85 ARG N N 85 116.162 118.185 -2.023 1
1 1139 . 1 1 1 A 86 86 SER H H 86 8.864 8.157 0.707 1
1 1140 . 1 1 1 A 86 86 SER HA H 86 4.488 5.062 -0.574 1
1 1143 . 1 1 1 A 86 86 SER C C 86 174.407 175.391 -0.984 1
1 1144 . 1 1 1 A 86 86 SER CA C 86 57.093 55.743 1.350 1
1 1145 . 1 1 1 A 86 86 SER CB C 86 64.840 66.636 -1.796 1
1 1146 . 1 1 1 A 86 86 SER N N 86 119.204 112.377 6.827 1
1 1147 . 1 1 1 A 87 87 ASP H H 87 8.784 8.820 -0.036 1
1 1148 . 1 1 1 A 87 87 ASP HA H 87 4.095 4.393 -0.298 1
1 1151 . 1 1 1 A 87 87 ASP C C 87 178.111 178.488 -0.377 1
1 1152 . 1 1 1 A 87 87 ASP CA C 87 57.801 56.963 0.838 1
1 1153 . 1 1 1 A 87 87 ASP CB C 87 39.056 39.755 -0.699 1
1 1154 . 1 1 1 A 87 87 ASP N N 87 121.415 121.290 0.125 1
1 1155 . 1 1 1 A 88 88 ASN H H 88 8.491 8.165 0.326 1
1 1156 . 1 1 1 A 88 88 ASN HA H 88 4.166 4.392 -0.226 1
1 1161 . 1 1 1 A 88 88 ASN C C 88 176.842 177.371 -0.529 1
1 1162 . 1 1 1 A 88 88 ASN CA C 88 55.458 56.275 -0.817 1
1 1163 . 1 1 1 A 88 88 ASN CB C 88 38.103 38.786 -0.683 1
1 1164 . 1 1 1 A 88 88 ASN N N 88 115.811 118.622 -2.811 1
1 1166 . 1 1 1 A 89 89 ASN H H 89 7.959 7.792 0.167 1
1 1167 . 1 1 1 A 89 89 ASN HA H 89 4.422 4.489 -0.067 1
1 1172 . 1 1 1 A 89 89 ASN C C 89 178.159 177.905 0.254 1
1 1173 . 1 1 1 A 89 89 ASN CA C 89 56.632 55.696 0.936 1
1 1174 . 1 1 1 A 89 89 ASN CB C 89 39.749 38.509 1.240 1
1 1175 . 1 1 1 A 89 89 ASN N N 89 120.679 117.465 3.214 1
1 1177 . 1 1 1 A 90 90 ILE H H 90 8.373 8.265 0.108 1
1 1178 . 1 1 1 A 90 90 ILE HA H 90 3.840 3.991 -0.151 1
1 1188 . 1 1 1 A 90 90 ILE C C 90 176.191 177.640 -1.449 1
1 1189 . 1 1 1 A 90 90 ILE CA C 90 65.298 64.927 0.371 1
1 1190 . 1 1 1 A 90 90 ILE CB C 90 38.109 37.484 0.625 1
1 1194 . 1 1 1 A 90 90 ILE N N 90 120.840 119.709 1.131 1
1 1195 . 1 1 1 A 91 91 ARG H H 91 7.749 8.468 -0.719 1
1 1196 . 1 1 1 A 91 91 ARG HA H 91 2.077 3.100 -1.023 1
1 1203 . 1 1 1 A 91 91 ARG C C 91 178.063 178.222 -0.159 1
1 1204 . 1 1 1 A 91 91 ARG CA C 91 58.500 58.841 -0.341 1
1 1205 . 1 1 1 A 91 91 ARG CB C 91 28.969 29.826 -0.857 1
1 1208 . 1 1 1 A 91 91 ARG N N 91 120.230 120.277 -0.047 1
1 1209 . 1 1 1 A 92 92 ASN H H 92 7.959 7.830 0.129 1
1 1210 . 1 1 1 A 92 92 ASN HA H 92 4.167 4.452 -0.285 1
1 1215 . 1 1 1 A 92 92 ASN C C 92 177.689 177.387 0.302 1
1 1216 . 1 1 1 A 92 92 ASN CA C 92 55.640 56.163 -0.523 1
1 1217 . 1 1 1 A 92 92 ASN CB C 92 37.644 38.820 -1.176 1
1 1218 . 1 1 1 A 92 92 ASN N N 92 115.405 117.837 -2.432 1
1 1220 . 1 1 1 A 93 93 ARG H H 93 7.872 8.562 -0.690 1
1 1221 . 1 1 1 A 93 93 ARG HA H 93 3.610 3.871 -0.261 1
1 1229 . 1 1 1 A 93 93 ARG C C 93 177.737 178.867 -1.130 1
1 1230 . 1 1 1 A 93 93 ARG CA C 93 57.263 58.981 -1.718 1
1 1231 . 1 1 1 A 93 93 ARG CB C 93 29.141 29.418 -0.277 1
1 1234 . 1 1 1 A 93 93 ARG N N 93 122.360 119.897 2.463 1
1 1236 . 1 1 1 A 94 94 TRP H H 94 8.411 8.973 -0.562 1
1 1237 . 1 1 1 A 94 94 TRP HA H 94 3.818 4.468 -0.650 1
1 1241 . 1 1 1 A 94 94 TRP N N 94 119.510 121.953 -2.443 1
1 1243 . 1 1 1 A 95 95 MET HA H 95 3.725 4.206 -0.481 1
1 1246 . 1 1 1 A 95 95 MET C C 95 178.580 178.209 0.371 1
1 1247 . 1 1 1 A 95 95 MET CA C 95 57.807 57.509 0.298 1
1 1248 . 1 1 1 A 95 95 MET CB C 95 32.023 31.493 0.530 1
1 1249 . 1 1 1 A 96 96 MET H H 96 7.580 7.800 -0.220 1
1 1250 . 1 1 1 A 96 96 MET HA H 96 3.980 4.216 -0.236 1
1 1255 . 1 1 1 A 96 96 MET C C 96 178.344 178.061 0.283 1
1 1256 . 1 1 1 A 96 96 MET CA C 96 58.033 57.778 0.255 1
1 1257 . 1 1 1 A 96 96 MET CB C 96 31.783 32.199 -0.416 1
1 1259 . 1 1 1 A 96 96 MET N N 96 118.340 119.321 -0.981 1
1 1260 . 1 1 1 A 97 97 ILE H H 97 7.884 7.957 -0.073 1
1 1261 . 1 1 1 A 97 97 ILE HA H 97 3.583 3.809 -0.226 1
1 1271 . 1 1 1 A 97 97 ILE C C 97 178.154 177.621 0.533 1
1 1272 . 1 1 1 A 97 97 ILE CA C 97 63.656 63.837 -0.181 1
1 1273 . 1 1 1 A 97 97 ILE CB C 97 37.637 36.790 0.847 1
1 1277 . 1 1 1 A 97 97 ILE N N 97 120.158 118.769 1.389 1
1 1278 . 1 1 1 A 98 98 ALA H H 98 8.064 8.323 -0.259 1
1 1279 . 1 1 1 A 98 98 ALA HA H 98 3.515 3.668 -0.153 1
1 1283 . 1 1 1 A 98 98 ALA C C 98 180.224 179.624 0.600 1
1 1284 . 1 1 1 A 98 98 ALA CA C 98 54.283 54.231 0.052 1
1 1285 . 1 1 1 A 98 98 ALA CB C 98 17.251 17.761 -0.510 1
1 1286 . 1 1 1 A 98 98 ALA N N 98 123.446 122.795 0.651 1
1 1287 . 1 1 1 A 99 99 ARG H H 99 7.623 7.797 -0.174 1
1 1288 . 1 1 1 A 99 99 ARG HA H 99 3.934 4.011 -0.077 1
1 1295 . 1 1 1 A 99 99 ARG C C 99 177.923 178.650 -0.727 1
1 1296 . 1 1 1 A 99 99 ARG CA C 99 57.968 58.595 -0.627 1
1 1297 . 1 1 1 A 99 99 ARG CB C 99 29.606 29.726 -0.120 1
1 1300 . 1 1 1 A 99 99 ARG N N 99 117.538 118.961 -1.423 1
1 1301 . 1 1 1 A 100 100 HIS H H 100 7.797 7.867 -0.070 1
1 1302 . 1 1 1 A 100 100 HIS HA H 100 4.409 4.225 0.184 1
1 1307 . 1 1 1 A 100 100 HIS C C 100 176.575 176.918 -0.343 1
1 1308 . 1 1 1 A 100 100 HIS CA C 100 57.109 59.142 -2.033 1
1 1309 . 1 1 1 A 100 100 HIS CB C 100 29.204 29.863 -0.659 1
1 1312 . 1 1 1 A 100 100 HIS N N 100 118.311 119.332 -1.021 1
1 1313 . 1 1 1 A 101 101 ARG H H 101 8.057 7.285 0.772 1
1 1314 . 1 1 1 A 101 101 ARG HA H 101 4.062 4.234 -0.172 1
1 1321 . 1 1 1 A 101 101 ARG C C 101 177.220 177.802 -0.582 1
1 1322 . 1 1 1 A 101 101 ARG CA C 101 57.556 57.482 0.074 1
1 1323 . 1 1 1 A 101 101 ARG CB C 101 30.157 30.562 -0.405 1
1 1326 . 1 1 1 A 101 101 ARG N N 101 119.935 118.381 1.554 1
1 1327 . 1 1 1 A 102 102 ALA H H 102 7.917 7.895 0.022 1
1 1328 . 1 1 1 A 102 102 ALA HA H 102 4.167 4.061 0.106 1
1 1332 . 1 1 1 A 102 102 ALA C C 102 178.532 179.380 -0.848 1
1 1333 . 1 1 1 A 102 102 ALA CA C 102 53.103 55.203 -2.100 1
1 1334 . 1 1 1 A 102 102 ALA CB C 102 18.447 18.432 0.015 1
1 1335 . 1 1 1 A 102 102 ALA N N 102 122.678 122.182 0.496 1
1 1336 . 1 1 1 A 103 103 LYS H H 103 7.884 7.823 0.061 1
1 1337 . 1 1 1 A 103 103 LYS HA H 103 4.121 4.138 -0.017 1
1 1346 . 1 1 1 A 103 103 LYS C C 103 177.080 178.351 -1.271 1
1 1347 . 1 1 1 A 103 103 LYS CA C 103 56.856 58.161 -1.305 1
1 1348 . 1 1 1 A 103 103 LYS CB C 103 32.480 32.409 0.071 1
1 1352 . 1 1 1 A 103 103 LYS N N 103 118.773 117.879 0.894 1
1 1353 . 1 1 1 A 104 104 HIS H H 104 8.118 8.252 -0.134 1
1 1354 . 1 1 1 A 104 104 HIS HA H 104 4.560 4.720 -0.160 1
1 1359 . 1 1 1 A 104 104 HIS C C 104 175.204 176.041 -0.837 1
1 1360 . 1 1 1 A 104 104 HIS CA C 104 55.932 55.084 0.848 1
1 1361 . 1 1 1 A 104 104 HIS CB C 104 29.448 31.552 -2.104 1
1 1364 . 1 1 1 A 104 104 HIS N N 104 118.685 113.773 4.912 1
1 1365 . 1 1 1 A 105 105 GLN H H 105 8.233 8.085 0.148 1
1 1366 . 1 1 1 A 105 105 GLN HA H 105 4.218 3.848 0.370 1
1 1373 . 1 1 1 A 105 105 GLN C C 105 176.172 178.032 -1.860 1
1 1374 . 1 1 1 A 105 105 GLN CA C 105 56.130 58.389 -2.259 1
1 1375 . 1 1 1 A 105 105 GLN CB C 105 28.976 28.614 0.362 1
1 1377 . 1 1 1 A 105 105 GLN N N 105 121.104 120.207 0.897 1
1 1379 . 1 1 1 A 106 106 LYS H H 106 8.346 7.803 0.543 1
1 1380 . 1 1 1 A 106 106 LYS HA H 106 4.239 4.225 0.014 1
1 1389 . 1 1 1 A 106 106 LYS C C 106 177.022 176.284 0.738 1
1 1390 . 1 1 1 A 106 106 LYS CA C 106 56.647 58.654 -2.007 1
1 1391 . 1 1 1 A 106 106 LYS CB C 106 32.481 32.399 0.082 1
1 1395 . 1 1 1 A 106 106 LYS N N 106 122.274 118.958 3.316 1
1 16 . 2 1 1 A 2 2 VAL H H 2 8.319 8.282 0.037 1
1 17 . 2 1 1 A 2 2 VAL HA H 2 4.096 4.100 -0.004 1
1 25 . 2 1 1 A 2 2 VAL C C 2 176.167 176.709 -0.542 1
1 26 . 2 1 1 A 2 2 VAL CA C 2 67.781 61.379 6.402 1
1 27 . 2 1 1 A 2 2 VAL CB C 2 32.484 32.262 0.222 1
1 30 . 2 1 1 A 2 2 VAL N N 2 122.596 119.100 3.496 1
1 31 . 2 1 1 A 3 3 LYS H H 3 8.470 8.597 -0.127 1
1 32 . 2 1 1 A 3 3 LYS HA H 3 4.327 3.898 0.429 1
1 41 . 2 1 1 A 3 3 LYS C C 3 176.713 177.003 -0.290 1
1 42 . 2 1 1 A 3 3 LYS CA C 3 56.391 59.959 -3.568 1
1 43 . 2 1 1 A 3 3 LYS CB C 3 32.723 32.149 0.574 1
1 47 . 2 1 1 A 3 3 LYS N N 3 127.359 125.215 2.144 1
1 48 . 2 1 1 A 4 4 PHE H H 4 8.471 7.299 1.172 1
1 49 . 2 1 1 A 4 4 PHE HA H 4 4.491 4.587 -0.096 1
1 57 . 2 1 1 A 4 4 PHE C C 4 177.923 175.328 2.595 1
1 58 . 2 1 1 A 4 4 PHE CA C 4 57.566 56.176 1.390 1
1 59 . 2 1 1 A 4 4 PHE CB C 4 39.751 40.131 -0.380 1
1 65 . 2 1 1 A 4 4 PHE N N 4 125.570 116.743 8.827 1
1 66 . 2 1 1 A 5 5 THR H H 5 8.880 8.434 0.446 1
1 67 . 2 1 1 A 5 5 THR HA H 5 4.490 4.633 -0.143 1
1 72 . 2 1 1 A 5 5 THR C C 5 175.297 175.807 -0.510 1
1 73 . 2 1 1 A 5 5 THR CA C 5 60.140 60.600 -0.460 1
1 74 . 2 1 1 A 5 5 THR CB C 5 70.922 70.272 0.650 1
1 76 . 2 1 1 A 5 5 THR N N 5 114.601 115.097 -0.496 1
1 77 . 2 1 1 A 6 6 GLU H H 6 9.000 9.115 -0.115 1
1 78 . 2 1 1 A 6 6 GLU HA H 6 4.142 4.098 0.044 1
1 83 . 2 1 1 A 6 6 GLU C C 6 179.326 178.332 0.994 1
1 84 . 2 1 1 A 6 6 GLU CA C 6 59.675 60.053 -0.378 1
1 85 . 2 1 1 A 6 6 GLU CB C 6 29.203 29.270 -0.067 1
1 87 . 2 1 1 A 6 6 GLU N N 6 121.577 127.451 -5.874 1
1 88 . 2 1 1 A 7 7 GLU H H 7 8.658 8.231 0.427 1
1 89 . 2 1 1 A 7 7 GLU HA H 7 4.026 4.003 0.023 1
1 94 . 2 1 1 A 7 7 GLU C C 7 179.616 179.674 -0.058 1
1 95 . 2 1 1 A 7 7 GLU CA C 7 59.683 59.459 0.224 1
1 96 . 2 1 1 A 7 7 GLU CB C 7 28.972 29.288 -0.316 1
1 98 . 2 1 1 A 7 7 GLU N N 7 118.231 120.159 -1.928 1
1 99 . 2 1 1 A 8 8 GLU H H 8 7.930 8.179 -0.249 1
1 100 . 2 1 1 A 8 8 GLU HA H 8 3.955 4.129 -0.174 1
1 105 . 2 1 1 A 8 8 GLU C C 8 178.395 178.778 -0.383 1
1 106 . 2 1 1 A 8 8 GLU CA C 8 59.672 59.222 0.450 1
1 107 . 2 1 1 A 8 8 GLU CB C 8 31.318 29.635 1.683 1
1 109 . 2 1 1 A 8 8 GLU N N 8 121.169 120.716 0.453 1
1 110 . 2 1 1 A 9 9 ASP H H 9 8.507 8.133 0.374 1
1 111 . 2 1 1 A 9 9 ASP HA H 9 4.677 4.331 0.346 1
1 114 . 2 1 1 A 9 9 ASP C C 9 179.329 177.941 1.388 1
1 115 . 2 1 1 A 9 9 ASP CA C 9 57.562 57.027 0.535 1
1 116 . 2 1 1 A 9 9 ASP CB C 9 40.217 41.554 -1.337 1
1 117 . 2 1 1 A 9 9 ASP N N 9 121.164 120.263 0.901 1
1 118 . 2 1 1 A 10 10 LEU H H 10 8.042 7.668 0.374 1
1 119 . 2 1 1 A 10 10 LEU HA H 10 4.143 4.050 0.093 1
1 129 . 2 1 1 A 10 10 LEU C C 10 179.329 178.886 0.443 1
1 130 . 2 1 1 A 10 10 LEU CA C 10 57.796 57.517 0.279 1
1 131 . 2 1 1 A 10 10 LEU CB C 10 41.392 40.973 0.419 1
1 135 . 2 1 1 A 10 10 LEU N N 10 120.628 119.593 1.035 1
1 136 . 2 1 1 A 11 11 LYS H H 11 8.040 8.467 -0.427 1
1 137 . 2 1 1 A 11 11 LYS HA H 11 4.049 3.963 0.086 1
1 146 . 2 1 1 A 11 11 LYS C C 11 178.345 179.130 -0.785 1
1 147 . 2 1 1 A 11 11 LYS CA C 11 59.199 60.668 -1.469 1
1 148 . 2 1 1 A 11 11 LYS CB C 11 32.488 32.199 0.289 1
1 152 . 2 1 1 A 11 11 LYS N N 11 121.016 118.726 2.290 1
1 153 . 2 1 1 A 12 12 LEU H H 12 8.865 8.153 0.712 1
1 154 . 2 1 1 A 12 12 LEU HA H 12 4.258 3.914 0.344 1
1 164 . 2 1 1 A 12 12 LEU C C 12 178.298 179.169 -0.871 1
1 165 . 2 1 1 A 12 12 LEU CA C 12 58.500 57.891 0.609 1
1 166 . 2 1 1 A 12 12 LEU CB C 12 41.389 41.481 -0.092 1
1 169 . 2 1 1 A 12 12 LEU N N 12 120.138 120.284 -0.146 1
1 170 . 2 1 1 A 13 13 GLN H H 13 8.400 7.779 0.621 1
1 171 . 2 1 1 A 13 13 GLN HA H 13 4.097 4.005 0.092 1
1 178 . 2 1 1 A 13 13 GLN C C 13 178.254 177.905 0.349 1
1 179 . 2 1 1 A 13 13 GLN CA C 13 59.693 59.408 0.285 1
1 180 . 2 1 1 A 13 13 GLN CB C 13 28.733 28.477 0.256 1
1 182 . 2 1 1 A 13 13 GLN N N 13 117.136 118.343 -1.207 1
1 184 . 2 1 1 A 14 14 GLN H H 14 8.175 7.588 0.587 1
1 185 . 2 1 1 A 14 14 GLN HA H 14 3.980 4.185 -0.205 1
1 192 . 2 1 1 A 14 14 GLN C C 14 179.518 178.599 0.919 1
1 193 . 2 1 1 A 14 14 GLN CA C 14 58.745 58.178 0.567 1
1 194 . 2 1 1 A 14 14 GLN CB C 14 28.034 28.944 -0.910 1
1 196 . 2 1 1 A 14 14 GLN N N 14 117.947 118.112 -0.165 1
1 198 . 2 1 1 A 15 15 LEU H H 15 8.721 8.585 0.136 1
1 199 . 2 1 1 A 15 15 LEU HA H 15 4.143 3.902 0.241 1
1 209 . 2 1 1 A 15 15 LEU C C 15 178.956 179.143 -0.187 1
1 210 . 2 1 1 A 15 15 LEU CA C 15 57.562 57.999 -0.437 1
1 211 . 2 1 1 A 15 15 LEU CB C 15 42.801 42.366 0.435 1
1 215 . 2 1 1 A 15 15 LEU N N 15 120.641 120.112 0.529 1
1 216 . 2 1 1 A 16 16 VAL H H 16 8.603 8.448 0.155 1
1 217 . 2 1 1 A 16 16 VAL HA H 16 3.230 3.329 -0.099 1
1 225 . 2 1 1 A 16 16 VAL C C 16 179.988 178.058 1.930 1
1 226 . 2 1 1 A 16 16 VAL CA C 16 65.733 66.730 -0.997 1
1 227 . 2 1 1 A 16 16 VAL CB C 16 30.609 31.458 -0.849 1
1 230 . 2 1 1 A 16 16 VAL N N 16 120.873 117.391 3.482 1
1 231 . 2 1 1 A 17 17 MET H H 17 8.058 8.117 -0.059 1
1 232 . 2 1 1 A 17 17 MET HA H 17 4.050 4.169 -0.119 1
1 237 . 2 1 1 A 17 17 MET C C 17 177.501 178.431 -0.930 1
1 238 . 2 1 1 A 17 17 MET CA C 17 58.270 58.161 0.109 1
1 239 . 2 1 1 A 17 17 MET CB C 17 31.784 32.214 -0.430 1
1 241 . 2 1 1 A 17 17 MET N N 17 119.240 120.500 -1.260 1
1 242 . 2 1 1 A 18 18 ARG H H 18 7.406 7.868 -0.462 1
1 243 . 2 1 1 A 18 18 ARG HA H 18 3.957 3.871 0.086 1
1 250 . 2 1 1 A 18 18 ARG C C 18 177.691 177.393 0.298 1
1 251 . 2 1 1 A 18 18 ARG CA C 18 58.301 58.240 0.061 1
1 252 . 2 1 1 A 18 18 ARG CB C 18 30.842 29.700 1.142 1
1 255 . 2 1 1 A 18 18 ARG N N 18 117.487 120.628 -3.141 1
1 256 . 2 1 1 A 19 19 TYR H H 19 8.571 7.699 0.872 1
1 257 . 2 1 1 A 19 19 TYR HA H 19 4.490 4.473 0.017 1
1 264 . 2 1 1 A 19 19 TYR C C 19 176.706 175.817 0.889 1
1 265 . 2 1 1 A 19 19 TYR CA C 19 58.739 57.727 1.012 1
1 266 . 2 1 1 A 19 19 TYR CB C 19 39.044 38.431 0.613 1
1 271 . 2 1 1 A 19 19 TYR N N 19 115.284 115.677 -0.393 1
1 272 . 2 1 1 A 20 20 GLY H H 20 8.148 9.363 -1.215 1
1 273 . 2 1 1 A 20 20 GLY HA2 H 20 3.609 3.854 -0.245 1
1 274 . 2 1 1 A 20 20 GLY HA3 H 20 4.137 3.879 0.258 1
1 275 . 2 1 1 A 20 20 GLY C C 20 171.784 173.647 -1.863 1
1 276 . 2 1 1 A 20 20 GLY CA C 20 43.972 46.412 -2.440 1
1 277 . 2 1 1 A 20 20 GLY N N 20 110.830 108.580 2.250 1
1 278 . 2 1 1 A 21 21 ALA H H 21 7.886 7.607 0.279 1
1 279 . 2 1 1 A 21 21 ALA HA H 21 3.400 3.798 -0.398 1
1 283 . 2 1 1 A 21 21 ALA C C 21 176.002 176.896 -0.894 1
1 284 . 2 1 1 A 21 21 ALA CA C 21 49.825 50.978 -1.153 1
1 285 . 2 1 1 A 21 21 ALA CB C 21 17.960 18.047 -0.087 1
1 286 . 2 1 1 A 21 21 ALA N N 21 119.337 121.924 -2.587 1
1 287 . 2 1 1 A 22 22 LYS H H 22 7.424 7.656 -0.232 1
1 288 . 2 1 1 A 22 22 LYS HA H 22 4.258 4.636 -0.378 1
1 297 . 2 1 1 A 22 22 LYS C C 22 175.769 176.221 -0.452 1
1 298 . 2 1 1 A 22 22 LYS CA C 22 55.921 56.573 -0.652 1
1 299 . 2 1 1 A 22 22 LYS CB C 22 33.371 35.005 -1.634 1
1 303 . 2 1 1 A 22 22 LYS N N 22 115.793 114.178 1.615 1
1 304 . 2 1 1 A 23 23 ASP H H 23 7.724 7.455 0.269 1
1 305 . 2 1 1 A 23 23 ASP HA H 23 4.700 4.928 -0.228 1
1 308 . 2 1 1 A 23 23 ASP C C 23 176.142 176.236 -0.094 1
1 309 . 2 1 1 A 23 23 ASP CA C 23 51.704 52.995 -1.291 1
1 310 . 2 1 1 A 23 23 ASP CB C 23 39.514 40.797 -1.283 1
1 311 . 2 1 1 A 23 23 ASP N N 23 119.398 118.453 0.945 1
1 312 . 2 1 1 A 24 24 TRP H H 24 8.035 7.747 0.288 1
1 313 . 2 1 1 A 24 24 TRP HA H 24 4.258 4.275 -0.017 1
1 322 . 2 1 1 A 24 24 TRP C C 24 178.252 178.169 0.083 1
1 323 . 2 1 1 A 24 24 TRP CA C 24 58.736 59.783 -1.047 1
1 324 . 2 1 1 A 24 24 TRP CB C 24 28.970 28.668 0.302 1
1 330 . 2 1 1 A 24 24 TRP N N 24 123.130 120.305 2.825 1
1 332 . 2 1 1 A 25 25 ILE H H 25 8.092 7.750 0.342 1
1 333 . 2 1 1 A 25 25 ILE HA H 25 3.724 3.817 -0.093 1
1 343 . 2 1 1 A 25 25 ILE C C 25 177.806 178.002 -0.196 1
1 344 . 2 1 1 A 25 25 ILE CA C 25 65.060 64.697 0.363 1
1 345 . 2 1 1 A 25 25 ILE CB C 25 36.234 37.315 -1.081 1
1 349 . 2 1 1 A 25 25 ILE N N 25 121.518 115.591 5.927 1
1 350 . 2 1 1 A 26 26 ARG H H 26 7.503 7.977 -0.474 1
1 351 . 2 1 1 A 26 26 ARG HA H 26 3.864 3.936 -0.072 1
1 358 . 2 1 1 A 26 26 ARG C C 26 178.303 178.177 0.126 1
1 359 . 2 1 1 A 26 26 ARG CA C 26 58.267 59.400 -1.133 1
1 360 . 2 1 1 A 26 26 ARG CB C 26 29.680 30.347 -0.667 1
1 363 . 2 1 1 A 26 26 ARG N N 26 122.119 120.678 1.441 1
1 364 . 2 1 1 A 27 27 ILE H H 27 7.340 7.613 -0.273 1
1 365 . 2 1 1 A 27 27 ILE HA H 27 3.450 3.676 -0.226 1
1 375 . 2 1 1 A 27 27 ILE C C 27 177.689 178.467 -0.778 1
1 376 . 2 1 1 A 27 27 ILE CA C 27 63.893 65.234 -1.341 1
1 377 . 2 1 1 A 27 27 ILE CB C 27 36.474 37.276 -0.802 1
1 381 . 2 1 1 A 27 27 ILE N N 27 115.446 120.740 -5.294 1
1 382 . 2 1 1 A 28 28 SER H H 28 8.203 7.958 0.245 1
1 383 . 2 1 1 A 28 28 SER HA H 28 4.144 4.303 -0.159 1
1 386 . 2 1 1 A 28 28 SER C C 28 177.220 177.041 0.179 1
1 387 . 2 1 1 A 28 28 SER CA C 28 61.085 61.410 -0.325 1
1 388 . 2 1 1 A 28 28 SER CB C 28 63.421 63.076 0.345 1
1 389 . 2 1 1 A 28 28 SER N N 28 113.324 116.812 -3.488 1
1 390 . 2 1 1 A 29 29 GLN H H 29 8.177 7.318 0.859 1
1 391 . 2 1 1 A 29 29 GLN HA H 29 4.003 4.049 -0.046 1
1 398 . 2 1 1 A 29 29 GLN C C 29 178.910 179.056 -0.146 1
1 399 . 2 1 1 A 29 29 GLN CA C 29 58.503 58.970 -0.467 1
1 400 . 2 1 1 A 29 29 GLN CB C 29 27.796 28.169 -0.373 1
1 402 . 2 1 1 A 29 29 GLN N N 29 120.561 121.648 -1.087 1
1 404 . 2 1 1 A 30 30 LEU H H 30 7.494 7.511 -0.017 1
1 405 . 2 1 1 A 30 30 LEU HA H 30 4.258 4.201 0.057 1
1 415 . 2 1 1 A 30 30 LEU C C 30 178.956 177.099 1.857 1
1 416 . 2 1 1 A 30 30 LEU CA C 30 55.675 57.086 -1.411 1
1 417 . 2 1 1 A 30 30 LEU CB C 30 42.559 42.611 -0.052 1
1 421 . 2 1 1 A 30 30 LEU N N 30 118.106 119.391 -1.285 1
1 422 . 2 1 1 A 31 31 MET H H 31 8.399 7.569 0.830 1
1 423 . 2 1 1 A 31 31 MET HA H 31 4.329 4.832 -0.503 1
1 428 . 2 1 1 A 31 31 MET C C 31 179.515 176.271 3.244 1
1 429 . 2 1 1 A 31 31 MET CA C 31 55.921 54.244 1.677 1
1 430 . 2 1 1 A 31 31 MET CB C 31 31.310 31.427 -0.117 1
1 432 . 2 1 1 A 31 31 MET N N 31 120.008 116.092 3.916 1
1 433 . 2 1 1 A 32 32 ILE H H 32 8.177 8.115 0.062 1
1 434 . 2 1 1 A 32 32 ILE HA H 32 3.423 4.076 -0.653 1
1 444 . 2 1 1 A 32 32 ILE C C 32 179.473 177.796 1.677 1
1 445 . 2 1 1 A 32 32 ILE CA C 32 67.639 63.330 4.309 1
1 446 . 2 1 1 A 32 32 ILE CB C 32 35.767 37.734 -1.967 1
1 450 . 2 1 1 A 32 32 ILE N N 32 114.338 119.708 -5.370 1
1 451 . 2 1 1 A 33 33 THR H H 33 8.957 7.711 1.246 1
1 452 . 2 1 1 A 33 33 THR HA H 33 4.143 4.173 -0.030 1
1 457 . 2 1 1 A 33 33 THR C C 33 174.361 174.163 0.198 1
1 458 . 2 1 1 A 33 33 THR CA C 33 62.251 64.542 -2.291 1
1 459 . 2 1 1 A 33 33 THR CB C 33 68.581 68.829 -0.248 1
1 461 . 2 1 1 A 33 33 THR N N 33 110.164 113.728 -3.564 1
1 462 . 2 1 1 A 34 34 ARG H H 34 6.509 7.268 -0.759 1
1 463 . 2 1 1 A 34 34 ARG HA H 34 4.862 4.725 0.137 1
1 470 . 2 1 1 A 34 34 ARG C C 34 174.922 174.408 0.514 1
1 471 . 2 1 1 A 34 34 ARG CA C 34 51.939 54.402 -2.463 1
1 472 . 2 1 1 A 34 34 ARG CB C 34 36.061 33.118 2.943 1
1 475 . 2 1 1 A 34 34 ARG N N 34 116.058 118.871 -2.813 1
1 476 . 2 1 1 A 35 35 ASN H H 35 8.733 8.767 -0.034 1
1 477 . 2 1 1 A 35 35 ASN HA H 35 4.810 5.089 -0.279 1
1 482 . 2 1 1 A 35 35 ASN C C 35 173.986 175.505 -1.519 1
1 483 . 2 1 1 A 35 35 ASN CA C 35 52.107 51.390 0.717 1
1 484 . 2 1 1 A 35 35 ASN CB C 35 36.636 38.956 -2.320 1
1 485 . 2 1 1 A 35 35 ASN N N 35 122.840 117.674 5.166 1
1 487 . 2 1 1 A 36 36 PRO HA H 36 4.197 4.633 -0.436 1
1 494 . 2 1 1 A 36 36 PRO C C 36 178.019 178.973 -0.954 1
1 495 . 2 1 1 A 36 36 PRO CA C 36 67.412 65.783 1.629 1
1 496 . 2 1 1 A 36 36 PRO CB C 36 32.018 31.858 0.160 1
1 499 . 2 1 1 A 37 37 ARG H H 37 7.804 8.509 -0.705 1
1 500 . 2 1 1 A 37 37 ARG HA H 37 3.749 3.863 -0.114 1
1 507 . 2 1 1 A 37 37 ARG C C 37 178.300 179.042 -0.742 1
1 508 . 2 1 1 A 37 37 ARG CA C 37 59.202 58.957 0.245 1
1 509 . 2 1 1 A 37 37 ARG CB C 37 29.435 29.498 -0.063 1
1 512 . 2 1 1 A 37 37 ARG N N 37 117.759 118.736 -0.977 1
1 513 . 2 1 1 A 38 38 GLN H H 38 8.682 8.100 0.582 1
1 514 . 2 1 1 A 38 38 GLN HA H 38 4.043 4.087 -0.044 1
1 521 . 2 1 1 A 38 38 GLN C C 38 180.078 179.039 1.039 1
1 522 . 2 1 1 A 38 38 GLN CA C 38 58.506 59.488 -0.982 1
1 523 . 2 1 1 A 38 38 GLN CB C 38 29.431 28.727 0.704 1
1 525 . 2 1 1 A 38 38 GLN N N 38 117.504 119.219 -1.715 1
1 527 . 2 1 1 A 39 39 CYS H H 39 8.095 7.902 0.193 1
1 528 . 2 1 1 A 39 39 CYS HA H 39 4.059 4.283 -0.224 1
1 531 . 2 1 1 A 39 39 CYS C C 39 173.893 177.037 -3.144 1
1 532 . 2 1 1 A 39 39 CYS CA C 39 64.592 63.609 0.983 1
1 533 . 2 1 1 A 39 39 CYS CB C 39 27.328 26.825 0.503 1
1 534 . 2 1 1 A 39 39 CYS N N 39 116.291 118.510 -2.219 1
1 535 . 2 1 1 A 40 40 ARG H H 40 7.589 7.584 0.005 1
1 536 . 2 1 1 A 40 40 ARG HA H 40 1.821 2.864 -1.043 1
1 543 . 2 1 1 A 40 40 ARG C C 40 178.204 178.773 -0.569 1
1 544 . 2 1 1 A 40 40 ARG CA C 40 58.264 58.961 -0.697 1
1 545 . 2 1 1 A 40 40 ARG CB C 40 29.440 29.363 0.077 1
1 548 . 2 1 1 A 40 40 ARG N N 40 121.272 121.804 -0.532 1
1 549 . 2 1 1 A 41 41 GLU H H 41 8.352 8.377 -0.025 1
1 550 . 2 1 1 A 41 41 GLU HA H 41 3.817 4.000 -0.183 1
1 555 . 2 1 1 A 41 41 GLU C C 41 178.718 178.860 -0.142 1
1 556 . 2 1 1 A 41 41 GLU CA C 41 58.971 59.445 -0.474 1
1 557 . 2 1 1 A 41 41 GLU CB C 41 28.972 29.232 -0.260 1
1 559 . 2 1 1 A 41 41 GLU N N 41 117.034 117.325 -0.291 1
1 560 . 2 1 1 A 42 42 ARG H H 42 7.755 7.870 -0.115 1
1 561 . 2 1 1 A 42 42 ARG HA H 42 3.931 4.196 -0.265 1
1 568 . 2 1 1 A 42 42 ARG C C 42 179.333 178.234 1.099 1
1 569 . 2 1 1 A 42 42 ARG CA C 42 57.261 58.991 -1.730 1
1 570 . 2 1 1 A 42 42 ARG CB C 42 29.610 30.206 -0.596 1
1 573 . 2 1 1 A 42 42 ARG N N 42 119.603 120.504 -0.901 1
1 574 . 2 1 1 A 43 43 TRP H H 43 8.199 8.105 0.094 1
1 575 . 2 1 1 A 43 43 TRP HA H 43 4.292 4.364 -0.072 1
1 579 . 2 1 1 A 43 43 TRP C C 43 176.705 178.428 -1.723 1
1 580 . 2 1 1 A 43 43 TRP CA C 43 57.006 61.325 -4.319 1
1 581 . 2 1 1 A 43 43 TRP CB C 43 29.620 29.786 -0.166 1
1 582 . 2 1 1 A 43 43 TRP N N 43 119.355 121.944 -2.589 1
1 584 . 2 1 1 A 44 44 ASN H H 44 8.478 8.048 0.430 1
1 585 . 2 1 1 A 44 44 ASN HA H 44 4.177 4.307 -0.130 1
1 590 . 2 1 1 A 44 44 ASN C C 44 176.986 177.040 -0.054 1
1 591 . 2 1 1 A 44 44 ASN CA C 44 55.457 55.893 -0.436 1
1 592 . 2 1 1 A 44 44 ASN CB C 44 38.347 38.097 0.250 1
1 593 . 2 1 1 A 44 44 ASN N N 44 113.530 118.472 -4.942 1
1 595 . 2 1 1 A 45 45 ASN H H 45 8.060 7.854 0.206 1
1 596 . 2 1 1 A 45 45 ASN HA H 45 4.630 4.781 -0.151 1
1 601 . 2 1 1 A 45 45 ASN C C 45 175.347 175.111 0.236 1
1 602 . 2 1 1 A 45 45 ASN CA C 45 53.350 53.595 -0.245 1
1 603 . 2 1 1 A 45 45 ASN CB C 45 39.047 39.268 -0.221 1
1 604 . 2 1 1 A 45 45 ASN N N 45 112.540 113.832 -1.292 1
1 606 . 2 1 1 A 46 46 TYR H H 46 7.443 7.982 -0.539 1
1 607 . 2 1 1 A 46 46 TYR HA H 46 4.447 4.932 -0.485 1
1 614 . 2 1 1 A 46 46 TYR C C 46 175.439 175.112 0.327 1
1 615 . 2 1 1 A 46 46 TYR CA C 46 60.074 59.245 0.829 1
1 616 . 2 1 1 A 46 46 TYR CB C 46 40.383 40.586 -0.203 1
1 621 . 2 1 1 A 46 46 TYR N N 46 117.403 118.702 -1.299 1
1 622 . 2 1 1 A 47 47 ILE HA H 47 3.786 4.759 -0.973 1
1 632 . 2 1 1 A 47 47 ILE C C 47 175.440 174.198 1.242 1
1 633 . 2 1 1 A 47 47 ILE CA C 47 62.240 59.437 2.803 1
1 634 . 2 1 1 A 47 47 ILE CB C 47 38.670 40.994 -2.324 1
1 638 . 2 1 1 A 48 48 ASN H H 48 7.922 8.840 -0.918 1
1 639 . 2 1 1 A 48 48 ASN HA H 48 3.795 4.651 -0.856 1
1 642 . 2 1 1 A 48 48 ASN C C 48 174.640 175.542 -0.902 1
1 643 . 2 1 1 A 48 48 ASN N N 48 119.990 120.420 -0.430 1
1 645 . 2 1 1 A 49 49 PRO HA H 49 4.166 4.396 -0.230 1
1 652 . 2 1 1 A 49 49 PRO C C 49 177.408 176.484 0.924 1
1 653 . 2 1 1 A 49 49 PRO CA C 49 64.124 63.522 0.602 1
1 654 . 2 1 1 A 49 49 PRO CB C 49 31.313 32.617 -1.304 1
1 657 . 2 1 1 A 50 50 ALA H H 50 7.595 7.965 -0.370 1
1 658 . 2 1 1 A 50 50 ALA HA H 50 4.128 3.990 0.138 1
1 662 . 2 1 1 A 50 50 ALA C C 50 178.251 177.624 0.627 1
1 663 . 2 1 1 A 50 50 ALA CA C 50 52.642 52.986 -0.344 1
1 664 . 2 1 1 A 50 50 ALA CB C 50 18.422 17.194 1.228 1
1 665 . 2 1 1 A 50 50 ALA N N 50 120.036 120.238 -0.202 1
1 666 . 2 1 1 A 51 51 LEU H H 51 7.586 7.950 -0.364 1
1 667 . 2 1 1 A 51 51 LEU HA H 51 4.119 4.501 -0.382 1
1 677 . 2 1 1 A 51 51 LEU C C 51 177.686 177.460 0.226 1
1 678 . 2 1 1 A 51 51 LEU CA C 51 55.219 54.649 0.570 1
1 679 . 2 1 1 A 51 51 LEU CB C 51 41.883 41.660 0.223 1
1 683 . 2 1 1 A 51 51 LEU N N 51 118.197 116.208 1.989 1
1 684 . 2 1 1 A 52 52 ARG H H 52 8.013 7.879 0.134 1
1 685 . 2 1 1 A 52 52 ARG HA H 52 4.334 4.158 0.176 1
1 692 . 2 1 1 A 52 52 ARG C C 52 176.658 176.121 0.537 1
1 693 . 2 1 1 A 52 52 ARG CA C 52 55.923 58.431 -2.508 1
1 694 . 2 1 1 A 52 52 ARG CB C 52 31.086 30.043 1.043 1
1 697 . 2 1 1 A 52 52 ARG N N 52 119.899 120.631 -0.732 1
1 698 . 2 1 1 A 53 53 THR H H 53 8.187 7.530 0.657 1
1 699 . 2 1 1 A 53 53 THR HA H 53 4.345 4.537 -0.192 1
1 704 . 2 1 1 A 53 53 THR C C 53 173.892 172.507 1.385 1
1 705 . 2 1 1 A 53 53 THR CA C 53 60.611 60.719 -0.108 1
1 706 . 2 1 1 A 53 53 THR CB C 53 69.514 69.057 0.457 1
1 708 . 2 1 1 A 53 53 THR N N 53 113.907 112.460 1.447 1
1 709 . 2 1 1 A 54 54 ASP H H 54 8.430 8.913 -0.483 1
1 710 . 2 1 1 A 54 54 ASP HA H 54 4.810 5.227 -0.417 1
1 713 . 2 1 1 A 54 54 ASP C C 54 174.082 173.862 0.220 1
1 714 . 2 1 1 A 54 54 ASP CA C 54 52.578 51.401 1.177 1
1 715 . 2 1 1 A 54 54 ASP CB C 54 39.685 41.428 -1.743 1
1 716 . 2 1 1 A 54 54 ASP N N 54 123.174 126.617 -3.443 1
1 717 . 2 1 1 A 55 55 PRO HA H 55 4.561 4.447 0.114 1
1 724 . 2 1 1 A 55 55 PRO C C 55 177.127 176.614 0.513 1
1 725 . 2 1 1 A 55 55 PRO CA C 55 62.958 62.472 0.486 1
1 726 . 2 1 1 A 55 55 PRO CB C 55 32.013 32.213 -0.200 1
1 729 . 2 1 1 A 56 56 TRP H H 56 8.721 7.395 1.326 1
1 730 . 2 1 1 A 56 56 TRP HA H 56 4.351 4.960 -0.609 1
1 739 . 2 1 1 A 56 56 TRP C C 56 177.127 175.179 1.948 1
1 740 . 2 1 1 A 56 56 TRP CA C 56 57.796 56.234 1.562 1
1 741 . 2 1 1 A 56 56 TRP CB C 56 28.732 31.378 -2.646 1
1 747 . 2 1 1 A 56 56 TRP N N 56 124.713 120.506 4.207 1
1 749 . 2 1 1 A 57 57 SER H H 57 9.085 8.999 0.086 1
1 750 . 2 1 1 A 57 57 SER HA H 57 4.957 5.117 -0.160 1
1 753 . 2 1 1 A 57 57 SER C C 57 173.562 174.603 -1.041 1
1 754 . 2 1 1 A 57 57 SER CA C 57 55.852 55.828 0.024 1
1 755 . 2 1 1 A 57 57 SER CB C 57 63.824 66.073 -2.249 1
1 756 . 2 1 1 A 57 57 SER N N 57 122.041 112.127 9.914 1
1 757 . 2 1 1 A 58 58 PRO HA H 58 4.444 4.377 0.067 1
1 764 . 2 1 1 A 58 58 PRO C C 58 179.777 178.537 1.240 1
1 765 . 2 1 1 A 58 58 PRO CA C 58 65.071 65.071 0.000 1
1 766 . 2 1 1 A 58 58 PRO CB C 58 31.546 31.968 -0.422 1
1 769 . 2 1 1 A 59 59 GLU H H 59 8.788 8.295 0.493 1
1 770 . 2 1 1 A 59 59 GLU HA H 59 4.088 4.079 0.009 1
1 775 . 2 1 1 A 59 59 GLU C C 59 179.656 179.430 0.226 1
1 776 . 2 1 1 A 59 59 GLU CA C 59 60.373 60.149 0.224 1
1 777 . 2 1 1 A 59 59 GLU CB C 59 28.505 29.002 -0.497 1
1 779 . 2 1 1 A 59 59 GLU N N 59 117.546 118.109 -0.563 1
1 780 . 2 1 1 A 60 60 GLU H H 60 7.977 8.296 -0.319 1
1 781 . 2 1 1 A 60 60 GLU HA H 60 4.015 4.003 0.012 1
1 786 . 2 1 1 A 60 60 GLU C C 60 178.440 178.859 -0.419 1
1 787 . 2 1 1 A 60 60 GLU CA C 60 59.913 59.274 0.639 1
1 788 . 2 1 1 A 60 60 GLU CB C 60 31.541 28.645 2.896 1
1 790 . 2 1 1 A 60 60 GLU N N 60 122.264 120.208 2.056 1
1 791 . 2 1 1 A 61 61 ASP H H 61 8.267 8.104 0.163 1
1 792 . 2 1 1 A 61 61 ASP HA H 61 4.654 4.423 0.231 1
1 795 . 2 1 1 A 61 61 ASP C C 61 179.469 178.670 0.799 1
1 796 . 2 1 1 A 61 61 ASP CA C 61 57.562 57.727 -0.165 1
1 797 . 2 1 1 A 61 61 ASP CB C 61 39.987 41.890 -1.903 1
1 798 . 2 1 1 A 61 61 ASP N N 61 120.543 119.656 0.887 1
1 799 . 2 1 1 A 62 62 MET H H 62 8.139 8.630 -0.491 1
1 800 . 2 1 1 A 62 62 MET HA H 62 4.284 4.283 0.001 1
1 805 . 2 1 1 A 62 62 MET C C 62 178.811 178.243 0.568 1
1 806 . 2 1 1 A 62 62 MET CA C 62 58.505 58.745 -0.240 1
1 807 . 2 1 1 A 62 62 MET CB C 62 32.251 32.912 -0.661 1
1 809 . 2 1 1 A 62 62 MET N N 62 119.343 117.661 1.682 1
1 810 . 2 1 1 A 63 63 LEU H H 63 7.959 7.921 0.038 1
1 811 . 2 1 1 A 63 63 LEU HA H 63 4.212 4.057 0.155 1
1 821 . 2 1 1 A 63 63 LEU C C 63 177.642 178.288 -0.646 1
1 822 . 2 1 1 A 63 63 LEU CA C 63 57.562 57.237 0.325 1
1 823 . 2 1 1 A 63 63 LEU CB C 63 42.096 41.493 0.603 1
1 827 . 2 1 1 A 63 63 LEU N N 63 122.676 120.984 1.692 1
1 828 . 2 1 1 A 64 64 LEU H H 64 8.784 8.340 0.444 1
1 829 . 2 1 1 A 64 64 LEU HA H 64 4.119 4.028 0.091 1
1 839 . 2 1 1 A 64 64 LEU C C 64 177.515 178.259 -0.744 1
1 840 . 2 1 1 A 64 64 LEU CA C 64 58.738 57.624 1.114 1
1 841 . 2 1 1 A 64 64 LEU CB C 64 41.395 41.695 -0.300 1
1 845 . 2 1 1 A 64 64 LEU N N 64 120.877 120.157 0.720 1
1 846 . 2 1 1 A 65 65 ASP H H 65 8.085 8.836 -0.751 1
1 847 . 2 1 1 A 65 65 ASP HA H 65 4.630 4.345 0.285 1
1 850 . 2 1 1 A 65 65 ASP C C 65 179.391 178.695 0.696 1
1 851 . 2 1 1 A 65 65 ASP CA C 65 57.566 57.420 0.146 1
1 852 . 2 1 1 A 65 65 ASP CB C 65 41.626 40.716 0.910 1
1 853 . 2 1 1 A 65 65 ASP N N 65 118.583 117.756 0.827 1
1 854 . 2 1 1 A 66 66 GLN H H 66 8.336 7.927 0.409 1
1 855 . 2 1 1 A 66 66 GLN HA H 66 4.050 3.988 0.062 1
1 862 . 2 1 1 A 66 66 GLN C C 66 179.565 178.353 1.212 1
1 863 . 2 1 1 A 66 66 GLN CA C 66 58.739 59.025 -0.286 1
1 864 . 2 1 1 A 66 66 GLN CB C 66 28.502 28.841 -0.339 1
1 866 . 2 1 1 A 66 66 GLN N N 66 118.725 119.993 -1.268 1
1 868 . 2 1 1 A 67 67 LYS H H 67 9.126 7.470 1.656 1
1 869 . 2 1 1 A 67 67 LYS HA H 67 4.142 4.175 -0.033 1
1 878 . 2 1 1 A 67 67 LYS C C 67 178.671 178.656 0.015 1
1 879 . 2 1 1 A 67 67 LYS CA C 67 56.156 58.942 -2.786 1
1 880 . 2 1 1 A 67 67 LYS CB C 67 31.550 32.661 -1.111 1
1 884 . 2 1 1 A 67 67 LYS N N 67 117.220 118.964 -1.744 1
1 885 . 2 1 1 A 68 68 TYR H H 68 9.361 8.700 0.661 1
1 886 . 2 1 1 A 68 68 TYR HA H 68 3.819 3.981 -0.162 1
1 893 . 2 1 1 A 68 68 TYR C C 68 179.235 177.331 1.904 1
1 894 . 2 1 1 A 68 68 TYR CA C 68 61.547 61.894 -0.347 1
1 895 . 2 1 1 A 68 68 TYR CB C 68 37.881 38.533 -0.652 1
1 900 . 2 1 1 A 68 68 TYR N N 68 123.884 120.754 3.130 1
1 901 . 2 1 1 A 69 69 ALA H H 69 7.810 7.957 -0.147 1
1 902 . 2 1 1 A 69 69 ALA HA H 69 3.980 4.007 -0.027 1
1 906 . 2 1 1 A 69 69 ALA C C 69 178.673 179.125 -0.452 1
1 907 . 2 1 1 A 69 69 ALA CA C 69 54.755 55.201 -0.446 1
1 908 . 2 1 1 A 69 69 ALA CB C 69 17.253 18.526 -1.273 1
1 909 . 2 1 1 A 69 69 ALA N N 69 121.733 121.639 0.094 1
1 910 . 2 1 1 A 70 70 GLU H H 70 7.091 7.919 -0.828 1
1 911 . 2 1 1 A 70 70 GLU HA H 70 3.848 4.122 -0.274 1
1 916 . 2 1 1 A 70 70 GLU C C 70 178.018 177.939 0.079 1
1 917 . 2 1 1 A 70 70 GLU CA C 70 58.566 58.353 0.213 1
1 918 . 2 1 1 A 70 70 GLU CB C 70 30.609 30.375 0.234 1
1 920 . 2 1 1 A 70 70 GLU N N 70 115.850 117.377 -1.527 1
1 921 . 2 1 1 A 71 71 TYR H H 71 8.270 8.599 -0.329 1
1 922 . 2 1 1 A 71 71 TYR HA H 71 4.537 4.205 0.332 1
1 929 . 2 1 1 A 71 71 TYR C C 71 177.174 176.210 0.964 1
1 930 . 2 1 1 A 71 71 TYR CA C 71 57.796 60.558 -2.762 1
1 931 . 2 1 1 A 71 71 TYR CB C 71 40.219 38.717 1.502 1
1 936 . 2 1 1 A 71 71 TYR N N 71 114.509 118.287 -3.778 1
1 937 . 2 1 1 A 72 72 GLY H H 72 8.417 7.791 0.626 1
1 938 . 2 1 1 A 72 72 GLY HA2 H 72 3.720 3.046 0.674 1
1 939 . 2 1 1 A 72 72 GLY HA3 H 72 2.255 3.685 -1.430 1
1 940 . 2 1 1 A 72 72 GLY C C 72 172.111 174.326 -2.215 1
1 941 . 2 1 1 A 72 72 GLY CA C 72 43.439 43.943 -0.504 1
1 942 . 2 1 1 A 72 72 GLY N N 72 111.509 106.666 4.843 1
1 943 . 2 1 1 A 73 73 PRO HA H 73 2.587 2.933 -0.346 1
1 950 . 2 1 1 A 73 73 PRO C C 73 175.393 175.064 0.329 1
1 951 . 2 1 1 A 73 73 PRO CA C 73 62.018 62.997 -0.979 1
1 952 . 2 1 1 A 73 73 PRO CB C 73 28.033 31.053 -3.020 1
1 955 . 2 1 1 A 74 74 LYS H H 74 8.065 8.180 -0.115 1
1 956 . 2 1 1 A 74 74 LYS HA H 74 4.259 4.421 -0.162 1
1 965 . 2 1 1 A 74 74 LYS C C 74 177.220 176.234 0.986 1
1 966 . 2 1 1 A 74 74 LYS CA C 74 52.641 54.556 -1.915 1
1 967 . 2 1 1 A 74 74 LYS CB C 74 30.145 30.172 -0.027 1
1 971 . 2 1 1 A 74 74 LYS N N 74 125.996 118.574 7.422 1
1 972 . 2 1 1 A 75 75 TRP H H 75 6.735 6.960 -0.225 1
1 973 . 2 1 1 A 75 75 TRP HA H 75 4.305 4.402 -0.097 1
1 982 . 2 1 1 A 75 75 TRP C C 75 177.174 177.887 -0.713 1
1 983 . 2 1 1 A 75 75 TRP CA C 75 58.969 60.094 -1.125 1
1 984 . 2 1 1 A 75 75 TRP CB C 75 29.668 28.451 1.217 1
1 990 . 2 1 1 A 75 75 TRP N N 75 122.056 122.047 0.009 1
1 992 . 2 1 1 A 76 76 ASN H H 76 8.732 8.725 0.007 1
1 993 . 2 1 1 A 76 76 ASN HA H 76 4.606 4.438 0.168 1
1 998 . 2 1 1 A 76 76 ASN C C 76 177.830 177.163 0.667 1
1 999 . 2 1 1 A 76 76 ASN CA C 76 55.925 55.924 0.001 1
1 1000 . 2 1 1 A 76 76 ASN CB C 76 37.876 37.440 0.436 1
1 1001 . 2 1 1 A 76 76 ASN N N 76 114.266 117.513 -3.247 1
1 1003 . 2 1 1 A 77 77 LYS H H 77 7.401 7.962 -0.561 1
1 1004 . 2 1 1 A 77 77 LYS HA H 77 3.979 4.022 -0.043 1
1 1013 . 2 1 1 A 77 77 LYS C C 77 178.859 179.206 -0.347 1
1 1014 . 2 1 1 A 77 77 LYS CA C 77 57.800 58.507 -0.707 1
1 1015 . 2 1 1 A 77 77 LYS CB C 77 31.545 32.453 -0.908 1
1 1019 . 2 1 1 A 77 77 LYS N N 77 120.857 118.400 2.457 1
1 1020 . 2 1 1 A 78 78 ILE H H 78 7.754 7.747 0.007 1
1 1021 . 2 1 1 A 78 78 ILE HA H 78 3.679 3.673 0.006 1
1 1031 . 2 1 1 A 78 78 ILE C C 78 178.202 177.940 0.262 1
1 1032 . 2 1 1 A 78 78 ILE CA C 78 65.997 65.123 0.874 1
1 1033 . 2 1 1 A 78 78 ILE CB C 78 38.343 37.999 0.344 1
1 1037 . 2 1 1 A 78 78 ILE N N 78 118.290 121.217 -2.927 1
1 1038 . 2 1 1 A 79 79 SER H H 79 8.386 8.531 -0.145 1
1 1039 . 2 1 1 A 79 79 SER HA H 79 4.049 4.254 -0.205 1
1 1042 . 2 1 1 A 79 79 SER C C 79 175.627 176.536 -0.909 1
1 1043 . 2 1 1 A 79 79 SER CA C 79 61.084 61.507 -0.423 1
1 1044 . 2 1 1 A 79 79 SER CB C 79 62.720 62.608 0.112 1
1 1045 . 2 1 1 A 79 79 SER N N 79 114.363 115.027 -0.664 1
1 1046 . 2 1 1 A 80 80 LYS H H 80 7.017 7.975 -0.958 1
1 1047 . 2 1 1 A 80 80 LYS HA H 80 4.005 4.107 -0.102 1
1 1056 . 2 1 1 A 80 80 LYS C C 80 177.361 177.238 0.123 1
1 1057 . 2 1 1 A 80 80 LYS CA C 80 57.098 58.016 -0.918 1
1 1058 . 2 1 1 A 80 80 LYS CB C 80 31.083 32.319 -1.236 1
1 1062 . 2 1 1 A 80 80 LYS N N 80 118.534 121.279 -2.745 1
1 1063 . 2 1 1 A 81 81 PHE H H 81 7.932 8.482 -0.550 1
1 1064 . 2 1 1 A 81 81 PHE HA H 81 4.467 4.310 0.157 1
1 1071 . 2 1 1 A 81 81 PHE C C 81 174.969 177.326 -2.357 1
1 1072 . 2 1 1 A 81 81 PHE CA C 81 58.500 59.864 -1.364 1
1 1073 . 2 1 1 A 81 81 PHE CB C 81 39.516 39.377 0.139 1
1 1078 . 2 1 1 A 81 81 PHE N N 81 114.880 117.256 -2.376 1
1 1079 . 2 1 1 A 82 82 LEU H H 82 7.487 7.207 0.280 1
1 1080 . 2 1 1 A 82 82 LEU HA H 82 4.666 4.320 0.346 1
1 1090 . 2 1 1 A 82 82 LEU C C 82 175.107 176.533 -1.426 1
1 1091 . 2 1 1 A 82 82 LEU CA C 82 52.875 56.542 -3.667 1
1 1092 . 2 1 1 A 82 82 LEU CB C 82 42.802 42.131 0.671 1
1 1096 . 2 1 1 A 82 82 LEU N N 82 122.945 119.006 3.939 1
1 1097 . 2 1 1 A 83 83 LYS H H 83 8.256 7.929 0.327 1
1 1098 . 2 1 1 A 83 83 LYS HA H 83 4.120 4.008 0.112 1
1 1107 . 2 1 1 A 83 83 LYS C C 83 176.236 176.284 -0.048 1
1 1108 . 2 1 1 A 83 83 LYS CA C 83 56.630 57.620 -0.990 1
1 1109 . 2 1 1 A 83 83 LYS CB C 83 31.786 29.501 2.285 1
1 1113 . 2 1 1 A 83 83 LYS N N 83 118.856 116.128 2.728 1
1 1114 . 2 1 1 A 84 84 ASN H H 84 8.684 8.252 0.432 1
1 1115 . 2 1 1 A 84 84 ASN HA H 84 4.304 4.860 -0.556 1
1 1120 . 2 1 1 A 84 84 ASN C C 84 173.846 174.742 -0.896 1
1 1121 . 2 1 1 A 84 84 ASN CA C 84 53.816 53.322 0.494 1
1 1122 . 2 1 1 A 84 84 ASN CB C 84 37.176 40.431 -3.255 1
1 1123 . 2 1 1 A 84 84 ASN N N 84 116.099 114.976 1.123 1
1 1125 . 2 1 1 A 85 85 ARG H H 85 7.665 7.695 -0.030 1
1 1126 . 2 1 1 A 85 85 ARG HA H 85 4.675 4.900 -0.225 1
1 1132 . 2 1 1 A 85 85 ARG C C 85 175.529 174.568 0.961 1
1 1133 . 2 1 1 A 85 85 ARG CA C 85 53.112 54.116 -1.004 1
1 1134 . 2 1 1 A 85 85 ARG CB C 85 31.783 33.715 -1.932 1
1 1137 . 2 1 1 A 85 85 ARG N N 85 116.162 118.030 -1.868 1
1 1139 . 2 1 1 A 86 86 SER H H 86 8.864 8.242 0.622 1
1 1140 . 2 1 1 A 86 86 SER HA H 86 4.488 5.023 -0.535 1
1 1143 . 2 1 1 A 86 86 SER C C 86 174.407 174.873 -0.466 1
1 1144 . 2 1 1 A 86 86 SER CA C 86 57.093 55.867 1.226 1
1 1145 . 2 1 1 A 86 86 SER CB C 86 64.840 66.469 -1.629 1
1 1146 . 2 1 1 A 86 86 SER N N 86 119.204 112.005 7.199 1
1 1147 . 2 1 1 A 87 87 ASP H H 87 8.784 8.711 0.073 1
1 1148 . 2 1 1 A 87 87 ASP HA H 87 4.095 4.415 -0.320 1
1 1151 . 2 1 1 A 87 87 ASP C C 87 178.111 178.497 -0.386 1
1 1152 . 2 1 1 A 87 87 ASP CA C 87 57.801 56.892 0.909 1
1 1153 . 2 1 1 A 87 87 ASP CB C 87 39.056 39.813 -0.757 1
1 1154 . 2 1 1 A 87 87 ASP N N 87 121.415 120.987 0.428 1
1 1155 . 2 1 1 A 88 88 ASN H H 88 8.491 8.149 0.342 1
1 1156 . 2 1 1 A 88 88 ASN HA H 88 4.166 4.397 -0.231 1
1 1161 . 2 1 1 A 88 88 ASN C C 88 176.842 177.312 -0.470 1
1 1162 . 2 1 1 A 88 88 ASN CA C 88 55.458 56.196 -0.738 1
1 1163 . 2 1 1 A 88 88 ASN CB C 88 38.103 38.691 -0.588 1
1 1164 . 2 1 1 A 88 88 ASN N N 88 115.811 118.564 -2.753 1
1 1166 . 2 1 1 A 89 89 ASN H H 89 7.959 7.770 0.189 1
1 1167 . 2 1 1 A 89 89 ASN HA H 89 4.422 4.489 -0.067 1
1 1172 . 2 1 1 A 89 89 ASN C C 89 178.159 177.698 0.461 1
1 1173 . 2 1 1 A 89 89 ASN CA C 89 56.632 55.754 0.878 1
1 1174 . 2 1 1 A 89 89 ASN CB C 89 39.749 38.849 0.900 1
1 1175 . 2 1 1 A 89 89 ASN N N 89 120.679 117.837 2.842 1
1 1177 . 2 1 1 A 90 90 ILE H H 90 8.373 8.407 -0.034 1
1 1178 . 2 1 1 A 90 90 ILE HA H 90 3.840 3.952 -0.112 1
1 1188 . 2 1 1 A 90 90 ILE C C 90 176.191 177.789 -1.598 1
1 1189 . 2 1 1 A 90 90 ILE CA C 90 65.298 64.877 0.421 1
1 1190 . 2 1 1 A 90 90 ILE CB C 90 38.109 37.810 0.299 1
1 1194 . 2 1 1 A 90 90 ILE N N 90 120.840 119.697 1.143 1
1 1195 . 2 1 1 A 91 91 ARG H H 91 7.749 8.085 -0.336 1
1 1196 . 2 1 1 A 91 91 ARG HA H 91 2.077 3.167 -1.090 1
1 1203 . 2 1 1 A 91 91 ARG C C 91 178.063 178.175 -0.112 1
1 1204 . 2 1 1 A 91 91 ARG CA C 91 58.500 58.997 -0.497 1
1 1205 . 2 1 1 A 91 91 ARG CB C 91 28.969 29.901 -0.932 1
1 1208 . 2 1 1 A 91 91 ARG N N 91 120.230 120.370 -0.140 1
1 1209 . 2 1 1 A 92 92 ASN H H 92 7.959 7.975 -0.016 1
1 1210 . 2 1 1 A 92 92 ASN HA H 92 4.167 4.423 -0.256 1
1 1215 . 2 1 1 A 92 92 ASN C C 92 177.689 177.851 -0.162 1
1 1216 . 2 1 1 A 92 92 ASN CA C 92 55.640 56.072 -0.432 1
1 1217 . 2 1 1 A 92 92 ASN CB C 92 37.644 38.782 -1.138 1
1 1218 . 2 1 1 A 92 92 ASN N N 92 115.405 117.893 -2.488 1
1 1220 . 2 1 1 A 93 93 ARG H H 93 7.872 8.557 -0.685 1
1 1221 . 2 1 1 A 93 93 ARG HA H 93 3.610 3.854 -0.244 1
1 1229 . 2 1 1 A 93 93 ARG C C 93 177.737 178.727 -0.990 1
1 1230 . 2 1 1 A 93 93 ARG CA C 93 57.263 58.906 -1.643 1
1 1231 . 2 1 1 A 93 93 ARG CB C 93 29.141 29.646 -0.505 1
1 1234 . 2 1 1 A 93 93 ARG N N 93 122.360 118.615 3.745 1
1 1236 . 2 1 1 A 94 94 TRP H H 94 8.411 8.911 -0.500 1
1 1237 . 2 1 1 A 94 94 TRP HA H 94 3.818 4.450 -0.632 1
1 1241 . 2 1 1 A 94 94 TRP N N 94 119.510 122.318 -2.808 1
1 1243 . 2 1 1 A 95 95 MET HA H 95 3.725 4.156 -0.431 1
1 1246 . 2 1 1 A 95 95 MET C C 95 178.580 178.494 0.086 1
1 1247 . 2 1 1 A 95 95 MET CA C 95 57.807 58.376 -0.569 1
1 1248 . 2 1 1 A 95 95 MET CB C 95 32.023 32.299 -0.276 1
1 1249 . 2 1 1 A 96 96 MET H H 96 7.580 7.550 0.030 1
1 1250 . 2 1 1 A 96 96 MET HA H 96 3.980 4.242 -0.262 1
1 1255 . 2 1 1 A 96 96 MET C C 96 178.344 178.019 0.325 1
1 1256 . 2 1 1 A 96 96 MET CA C 96 58.033 57.794 0.239 1
1 1257 . 2 1 1 A 96 96 MET CB C 96 31.783 32.415 -0.632 1
1 1259 . 2 1 1 A 96 96 MET N N 96 118.340 118.966 -0.626 1
1 1260 . 2 1 1 A 97 97 ILE H H 97 7.884 8.059 -0.175 1
1 1261 . 2 1 1 A 97 97 ILE HA H 97 3.583 3.843 -0.260 1
1 1271 . 2 1 1 A 97 97 ILE C C 97 178.154 177.626 0.528 1
1 1272 . 2 1 1 A 97 97 ILE CA C 97 63.656 63.713 -0.057 1
1 1273 . 2 1 1 A 97 97 ILE CB C 97 37.637 36.875 0.762 1
1 1277 . 2 1 1 A 97 97 ILE N N 97 120.158 118.543 1.615 1
1 1278 . 2 1 1 A 98 98 ALA H H 98 8.064 8.340 -0.276 1
1 1279 . 2 1 1 A 98 98 ALA HA H 98 3.515 3.720 -0.205 1
1 1283 . 2 1 1 A 98 98 ALA C C 98 180.224 179.760 0.464 1
1 1284 . 2 1 1 A 98 98 ALA CA C 98 54.283 54.291 -0.008 1
1 1285 . 2 1 1 A 98 98 ALA CB C 98 17.251 17.888 -0.637 1
1 1286 . 2 1 1 A 98 98 ALA N N 98 123.446 123.068 0.378 1
1 1287 . 2 1 1 A 99 99 ARG H H 99 7.623 7.900 -0.277 1
1 1288 . 2 1 1 A 99 99 ARG HA H 99 3.934 4.035 -0.101 1
1 1295 . 2 1 1 A 99 99 ARG C C 99 177.923 178.537 -0.614 1
1 1296 . 2 1 1 A 99 99 ARG CA C 99 57.968 58.523 -0.555 1
1 1297 . 2 1 1 A 99 99 ARG CB C 99 29.606 29.803 -0.197 1
1 1300 . 2 1 1 A 99 99 ARG N N 99 117.538 119.006 -1.468 1
1 1301 . 2 1 1 A 100 100 HIS H H 100 7.797 7.822 -0.025 1
1 1302 . 2 1 1 A 100 100 HIS HA H 100 4.409 4.240 0.169 1
1 1307 . 2 1 1 A 100 100 HIS C C 100 176.575 177.019 -0.444 1
1 1308 . 2 1 1 A 100 100 HIS CA C 100 57.109 59.004 -1.895 1
1 1309 . 2 1 1 A 100 100 HIS CB C 100 29.204 29.953 -0.749 1
1 1312 . 2 1 1 A 100 100 HIS N N 100 118.311 119.268 -0.957 1
1 1313 . 2 1 1 A 101 101 ARG H H 101 8.057 7.471 0.586 1
1 1314 . 2 1 1 A 101 101 ARG HA H 101 4.062 4.038 0.024 1
1 1321 . 2 1 1 A 101 101 ARG C C 101 177.220 178.632 -1.412 1
1 1322 . 2 1 1 A 101 101 ARG CA C 101 57.556 58.223 -0.667 1
1 1323 . 2 1 1 A 101 101 ARG CB C 101 30.157 30.118 0.039 1
1 1326 . 2 1 1 A 101 101 ARG N N 101 119.935 118.323 1.612 1
1 1327 . 2 1 1 A 102 102 ALA H H 102 7.917 8.204 -0.287 1
1 1328 . 2 1 1 A 102 102 ALA HA H 102 4.167 4.167 0.000 1
1 1332 . 2 1 1 A 102 102 ALA C C 102 178.532 179.632 -1.100 1
1 1333 . 2 1 1 A 102 102 ALA CA C 102 53.103 54.100 -0.997 1
1 1334 . 2 1 1 A 102 102 ALA CB C 102 18.447 18.498 -0.051 1
1 1335 . 2 1 1 A 102 102 ALA N N 102 122.678 122.048 0.630 1
1 1336 . 2 1 1 A 103 103 LYS H H 103 7.884 7.852 0.032 1
1 1337 . 2 1 1 A 103 103 LYS HA H 103 4.121 4.159 -0.038 1
1 1346 . 2 1 1 A 103 103 LYS C C 103 177.080 178.452 -1.372 1
1 1347 . 2 1 1 A 103 103 LYS CA C 103 56.856 58.602 -1.746 1
1 1348 . 2 1 1 A 103 103 LYS CB C 103 32.480 32.565 -0.085 1
1 1352 . 2 1 1 A 103 103 LYS N N 103 118.773 118.109 0.664 1
1 1353 . 2 1 1 A 104 104 HIS H H 104 8.118 8.269 -0.151 1
1 1354 . 2 1 1 A 104 104 HIS HA H 104 4.560 4.740 -0.180 1
1 1359 . 2 1 1 A 104 104 HIS C C 104 175.204 176.121 -0.917 1
1 1360 . 2 1 1 A 104 104 HIS CA C 104 55.932 55.379 0.553 1
1 1361 . 2 1 1 A 104 104 HIS CB C 104 29.448 31.864 -2.416 1
1 1364 . 2 1 1 A 104 104 HIS N N 104 118.685 112.544 6.141 1
1 1365 . 2 1 1 A 105 105 GLN H H 105 8.233 8.197 0.036 1
1 1366 . 2 1 1 A 105 105 GLN HA H 105 4.218 3.897 0.321 1
1 1373 . 2 1 1 A 105 105 GLN C C 105 176.172 178.008 -1.836 1
1 1374 . 2 1 1 A 105 105 GLN CA C 105 56.130 58.684 -2.554 1
1 1375 . 2 1 1 A 105 105 GLN CB C 105 28.976 28.893 0.083 1
1 1377 . 2 1 1 A 105 105 GLN N N 105 121.104 120.013 1.091 1
1 1379 . 2 1 1 A 106 106 LYS H H 106 8.346 8.089 0.257 1
1 1380 . 2 1 1 A 106 106 LYS HA H 106 4.239 4.081 0.158 1
1 1389 . 2 1 1 A 106 106 LYS C C 106 177.022 178.998 -1.976 1
1 1390 . 2 1 1 A 106 106 LYS CA C 106 56.647 58.346 -1.699 1
1 1391 . 2 1 1 A 106 106 LYS CB C 106 32.481 32.205 0.276 1
1 1395 . 2 1 1 A 106 106 LYS N N 106 122.274 118.993 3.281 1
1 16 . 3 1 1 A 2 2 VAL H H 2 8.319 8.493 -0.174 1
1 17 . 3 1 1 A 2 2 VAL HA H 2 4.096 4.055 0.041 1
1 25 . 3 1 1 A 2 2 VAL C C 2 176.167 177.525 -1.358 1
1 26 . 3 1 1 A 2 2 VAL CA C 2 67.781 61.564 6.217 1
1 27 . 3 1 1 A 2 2 VAL CB C 2 32.484 31.544 0.940 1
1 30 . 3 1 1 A 2 2 VAL N N 2 122.596 119.884 2.712 1
1 31 . 3 1 1 A 3 3 LYS H H 3 8.470 8.577 -0.107 1
1 32 . 3 1 1 A 3 3 LYS HA H 3 4.327 3.875 0.452 1
1 41 . 3 1 1 A 3 3 LYS C C 3 176.713 176.981 -0.268 1
1 42 . 3 1 1 A 3 3 LYS CA C 3 56.391 59.862 -3.471 1
1 43 . 3 1 1 A 3 3 LYS CB C 3 32.723 32.184 0.539 1
1 47 . 3 1 1 A 3 3 LYS N N 3 127.359 124.049 3.310 1
1 48 . 3 1 1 A 4 4 PHE H H 4 8.471 7.301 1.170 1
1 49 . 3 1 1 A 4 4 PHE HA H 4 4.491 4.589 -0.098 1
1 57 . 3 1 1 A 4 4 PHE C C 4 177.923 175.146 2.777 1
1 58 . 3 1 1 A 4 4 PHE CA C 4 57.566 56.167 1.399 1
1 59 . 3 1 1 A 4 4 PHE CB C 4 39.751 40.157 -0.406 1
1 65 . 3 1 1 A 4 4 PHE N N 4 125.570 116.718 8.852 1
1 66 . 3 1 1 A 5 5 THR H H 5 8.880 8.458 0.422 1
1 67 . 3 1 1 A 5 5 THR HA H 5 4.490 4.648 -0.158 1
1 72 . 3 1 1 A 5 5 THR C C 5 175.297 176.152 -0.855 1
1 73 . 3 1 1 A 5 5 THR CA C 5 60.140 60.394 -0.254 1
1 74 . 3 1 1 A 5 5 THR CB C 5 70.922 70.606 0.316 1
1 76 . 3 1 1 A 5 5 THR N N 5 114.601 115.245 -0.644 1
1 77 . 3 1 1 A 6 6 GLU H H 6 9.000 9.123 -0.123 1
1 78 . 3 1 1 A 6 6 GLU HA H 6 4.142 4.101 0.041 1
1 83 . 3 1 1 A 6 6 GLU C C 6 179.326 178.495 0.831 1
1 84 . 3 1 1 A 6 6 GLU CA C 6 59.675 59.377 0.298 1
1 85 . 3 1 1 A 6 6 GLU CB C 6 29.203 29.152 0.051 1
1 87 . 3 1 1 A 6 6 GLU N N 6 121.577 124.816 -3.239 1
1 88 . 3 1 1 A 7 7 GLU H H 7 8.658 8.290 0.368 1
1 89 . 3 1 1 A 7 7 GLU HA H 7 4.026 4.005 0.021 1
1 94 . 3 1 1 A 7 7 GLU C C 7 179.616 179.730 -0.114 1
1 95 . 3 1 1 A 7 7 GLU CA C 7 59.683 59.456 0.227 1
1 96 . 3 1 1 A 7 7 GLU CB C 7 28.972 29.330 -0.358 1
1 98 . 3 1 1 A 7 7 GLU N N 7 118.231 119.527 -1.296 1
1 99 . 3 1 1 A 8 8 GLU H H 8 7.930 8.252 -0.322 1
1 100 . 3 1 1 A 8 8 GLU HA H 8 3.955 4.121 -0.166 1
1 105 . 3 1 1 A 8 8 GLU C C 8 178.395 178.760 -0.365 1
1 106 . 3 1 1 A 8 8 GLU CA C 8 59.672 59.158 0.514 1
1 107 . 3 1 1 A 8 8 GLU CB C 8 31.318 29.542 1.776 1
1 109 . 3 1 1 A 8 8 GLU N N 8 121.169 120.436 0.733 1
1 110 . 3 1 1 A 9 9 ASP H H 9 8.507 8.046 0.461 1
1 111 . 3 1 1 A 9 9 ASP HA H 9 4.677 4.223 0.454 1
1 114 . 3 1 1 A 9 9 ASP C C 9 179.329 177.872 1.457 1
1 115 . 3 1 1 A 9 9 ASP CA C 9 57.562 56.897 0.665 1
1 116 . 3 1 1 A 9 9 ASP CB C 9 40.217 41.422 -1.205 1
1 117 . 3 1 1 A 9 9 ASP N N 9 121.164 120.129 1.035 1
1 118 . 3 1 1 A 10 10 LEU H H 10 8.042 7.620 0.422 1
1 119 . 3 1 1 A 10 10 LEU HA H 10 4.143 4.079 0.064 1
1 129 . 3 1 1 A 10 10 LEU C C 10 179.329 178.824 0.505 1
1 130 . 3 1 1 A 10 10 LEU CA C 10 57.796 57.380 0.416 1
1 131 . 3 1 1 A 10 10 LEU CB C 10 41.392 41.216 0.176 1
1 135 . 3 1 1 A 10 10 LEU N N 10 120.628 119.591 1.037 1
1 136 . 3 1 1 A 11 11 LYS H H 11 8.040 8.433 -0.393 1
1 137 . 3 1 1 A 11 11 LYS HA H 11 4.049 3.975 0.074 1
1 146 . 3 1 1 A 11 11 LYS C C 11 178.345 179.141 -0.796 1
1 147 . 3 1 1 A 11 11 LYS CA C 11 59.199 60.645 -1.446 1
1 148 . 3 1 1 A 11 11 LYS CB C 11 32.488 32.213 0.275 1
1 152 . 3 1 1 A 11 11 LYS N N 11 121.016 118.788 2.228 1
1 153 . 3 1 1 A 12 12 LEU H H 12 8.865 8.331 0.534 1
1 154 . 3 1 1 A 12 12 LEU HA H 12 4.258 3.946 0.312 1
1 164 . 3 1 1 A 12 12 LEU C C 12 178.298 179.111 -0.813 1
1 165 . 3 1 1 A 12 12 LEU CA C 12 58.500 57.913 0.587 1
1 166 . 3 1 1 A 12 12 LEU CB C 12 41.389 41.506 -0.117 1
1 169 . 3 1 1 A 12 12 LEU N N 12 120.138 120.297 -0.159 1
1 170 . 3 1 1 A 13 13 GLN H H 13 8.400 7.798 0.602 1
1 171 . 3 1 1 A 13 13 GLN HA H 13 4.097 4.117 -0.020 1
1 178 . 3 1 1 A 13 13 GLN C C 13 178.254 178.000 0.254 1
1 179 . 3 1 1 A 13 13 GLN CA C 13 59.693 59.475 0.218 1
1 180 . 3 1 1 A 13 13 GLN CB C 13 28.733 28.358 0.375 1
1 182 . 3 1 1 A 13 13 GLN N N 13 117.136 118.392 -1.256 1
1 184 . 3 1 1 A 14 14 GLN H H 14 8.175 7.609 0.566 1
1 185 . 3 1 1 A 14 14 GLN HA H 14 3.980 4.191 -0.211 1
1 192 . 3 1 1 A 14 14 GLN C C 14 179.518 178.614 0.904 1
1 193 . 3 1 1 A 14 14 GLN CA C 14 58.745 58.144 0.601 1
1 194 . 3 1 1 A 14 14 GLN CB C 14 28.034 28.948 -0.914 1
1 196 . 3 1 1 A 14 14 GLN N N 14 117.947 118.032 -0.085 1
1 198 . 3 1 1 A 15 15 LEU H H 15 8.721 8.583 0.138 1
1 199 . 3 1 1 A 15 15 LEU HA H 15 4.143 3.925 0.218 1
1 209 . 3 1 1 A 15 15 LEU C C 15 178.956 178.993 -0.037 1
1 210 . 3 1 1 A 15 15 LEU CA C 15 57.562 58.036 -0.474 1
1 211 . 3 1 1 A 15 15 LEU CB C 15 42.801 42.364 0.437 1
1 215 . 3 1 1 A 15 15 LEU N N 15 120.641 120.081 0.560 1
1 216 . 3 1 1 A 16 16 VAL H H 16 8.603 8.440 0.163 1
1 217 . 3 1 1 A 16 16 VAL HA H 16 3.230 3.353 -0.123 1
1 225 . 3 1 1 A 16 16 VAL C C 16 179.988 178.096 1.892 1
1 226 . 3 1 1 A 16 16 VAL CA C 16 65.733 66.946 -1.213 1
1 227 . 3 1 1 A 16 16 VAL CB C 16 30.609 31.332 -0.723 1
1 230 . 3 1 1 A 16 16 VAL N N 16 120.873 117.541 3.332 1
1 231 . 3 1 1 A 17 17 MET H H 17 8.058 8.232 -0.174 1
1 232 . 3 1 1 A 17 17 MET HA H 17 4.050 4.225 -0.175 1
1 237 . 3 1 1 A 17 17 MET C C 17 177.501 178.383 -0.882 1
1 238 . 3 1 1 A 17 17 MET CA C 17 58.270 58.102 0.168 1
1 239 . 3 1 1 A 17 17 MET CB C 17 31.784 32.192 -0.408 1
1 241 . 3 1 1 A 17 17 MET N N 17 119.240 120.088 -0.848 1
1 242 . 3 1 1 A 18 18 ARG H H 18 7.406 8.023 -0.617 1
1 243 . 3 1 1 A 18 18 ARG HA H 18 3.957 3.894 0.063 1
1 250 . 3 1 1 A 18 18 ARG C C 18 177.691 177.136 0.555 1
1 251 . 3 1 1 A 18 18 ARG CA C 18 58.301 58.295 0.006 1
1 252 . 3 1 1 A 18 18 ARG CB C 18 30.842 29.803 1.039 1
1 255 . 3 1 1 A 18 18 ARG N N 18 117.487 120.581 -3.094 1
1 256 . 3 1 1 A 19 19 TYR H H 19 8.571 7.241 1.330 1
1 257 . 3 1 1 A 19 19 TYR HA H 19 4.490 4.499 -0.009 1
1 264 . 3 1 1 A 19 19 TYR C C 19 176.706 176.061 0.645 1
1 265 . 3 1 1 A 19 19 TYR CA C 19 58.739 57.721 1.018 1
1 266 . 3 1 1 A 19 19 TYR CB C 19 39.044 38.590 0.454 1
1 271 . 3 1 1 A 19 19 TYR N N 19 115.284 115.443 -0.159 1
1 272 . 3 1 1 A 20 20 GLY H H 20 8.148 9.386 -1.238 1
1 273 . 3 1 1 A 20 20 GLY HA2 H 20 3.609 3.874 -0.265 1
1 274 . 3 1 1 A 20 20 GLY HA3 H 20 4.137 3.885 0.252 1
1 275 . 3 1 1 A 20 20 GLY C C 20 171.784 173.773 -1.989 1
1 276 . 3 1 1 A 20 20 GLY CA C 20 43.972 46.338 -2.366 1
1 277 . 3 1 1 A 20 20 GLY N N 20 110.830 107.747 3.083 1
1 278 . 3 1 1 A 21 21 ALA H H 21 7.886 7.228 0.658 1
1 279 . 3 1 1 A 21 21 ALA HA H 21 3.400 3.970 -0.570 1
1 283 . 3 1 1 A 21 21 ALA C C 21 176.002 177.278 -1.276 1
1 284 . 3 1 1 A 21 21 ALA CA C 21 49.825 51.124 -1.299 1
1 285 . 3 1 1 A 21 21 ALA CB C 21 17.960 18.691 -0.731 1
1 286 . 3 1 1 A 21 21 ALA N N 21 119.337 122.979 -3.642 1
1 287 . 3 1 1 A 22 22 LYS H H 22 7.424 7.729 -0.305 1
1 288 . 3 1 1 A 22 22 LYS HA H 22 4.258 4.664 -0.406 1
1 297 . 3 1 1 A 22 22 LYS C C 22 175.769 176.423 -0.654 1
1 298 . 3 1 1 A 22 22 LYS CA C 22 55.921 55.926 -0.005 1
1 299 . 3 1 1 A 22 22 LYS CB C 22 33.371 34.641 -1.270 1
1 303 . 3 1 1 A 22 22 LYS N N 22 115.793 116.571 -0.778 1
1 304 . 3 1 1 A 23 23 ASP H H 23 7.724 7.532 0.192 1
1 305 . 3 1 1 A 23 23 ASP HA H 23 4.700 4.957 -0.257 1
1 308 . 3 1 1 A 23 23 ASP C C 23 176.142 176.190 -0.048 1
1 309 . 3 1 1 A 23 23 ASP CA C 23 51.704 53.210 -1.506 1
1 310 . 3 1 1 A 23 23 ASP CB C 23 39.514 40.285 -0.771 1
1 311 . 3 1 1 A 23 23 ASP N N 23 119.398 119.005 0.393 1
1 312 . 3 1 1 A 24 24 TRP H H 24 8.035 7.752 0.283 1
1 313 . 3 1 1 A 24 24 TRP HA H 24 4.258 4.298 -0.040 1
1 322 . 3 1 1 A 24 24 TRP C C 24 178.252 178.205 0.047 1
1 323 . 3 1 1 A 24 24 TRP CA C 24 58.736 59.768 -1.032 1
1 324 . 3 1 1 A 24 24 TRP CB C 24 28.970 28.430 0.540 1
1 330 . 3 1 1 A 24 24 TRP N N 24 123.130 120.343 2.787 1
1 332 . 3 1 1 A 25 25 ILE H H 25 8.092 7.768 0.324 1
1 333 . 3 1 1 A 25 25 ILE HA H 25 3.724 3.829 -0.105 1
1 343 . 3 1 1 A 25 25 ILE C C 25 177.806 177.730 0.076 1
1 344 . 3 1 1 A 25 25 ILE CA C 25 65.060 64.711 0.349 1
1 345 . 3 1 1 A 25 25 ILE CB C 25 36.234 37.339 -1.105 1
1 349 . 3 1 1 A 25 25 ILE N N 25 121.518 115.610 5.908 1
1 350 . 3 1 1 A 26 26 ARG H H 26 7.503 7.649 -0.146 1
1 351 . 3 1 1 A 26 26 ARG HA H 26 3.864 3.981 -0.117 1
1 358 . 3 1 1 A 26 26 ARG C C 26 178.303 178.581 -0.278 1
1 359 . 3 1 1 A 26 26 ARG CA C 26 58.267 58.724 -0.457 1
1 360 . 3 1 1 A 26 26 ARG CB C 26 29.680 29.718 -0.038 1
1 363 . 3 1 1 A 26 26 ARG N N 26 122.119 120.992 1.127 1
1 364 . 3 1 1 A 27 27 ILE H H 27 7.340 7.627 -0.287 1
1 365 . 3 1 1 A 27 27 ILE HA H 27 3.450 3.663 -0.213 1
1 375 . 3 1 1 A 27 27 ILE C C 27 177.689 178.473 -0.784 1
1 376 . 3 1 1 A 27 27 ILE CA C 27 63.893 65.074 -1.181 1
1 377 . 3 1 1 A 27 27 ILE CB C 27 36.474 37.115 -0.641 1
1 381 . 3 1 1 A 27 27 ILE N N 27 115.446 119.938 -4.492 1
1 382 . 3 1 1 A 28 28 SER H H 28 8.203 8.015 0.188 1
1 383 . 3 1 1 A 28 28 SER HA H 28 4.144 4.305 -0.161 1
1 386 . 3 1 1 A 28 28 SER C C 28 177.220 177.317 -0.097 1
1 387 . 3 1 1 A 28 28 SER CA C 28 61.085 61.398 -0.313 1
1 388 . 3 1 1 A 28 28 SER CB C 28 63.421 63.131 0.290 1
1 389 . 3 1 1 A 28 28 SER N N 28 113.324 117.008 -3.684 1
1 390 . 3 1 1 A 29 29 GLN H H 29 8.177 7.347 0.830 1
1 391 . 3 1 1 A 29 29 GLN HA H 29 4.003 4.071 -0.068 1
1 398 . 3 1 1 A 29 29 GLN C C 29 178.910 179.137 -0.227 1
1 399 . 3 1 1 A 29 29 GLN CA C 29 58.503 58.867 -0.364 1
1 400 . 3 1 1 A 29 29 GLN CB C 29 27.796 28.219 -0.423 1
1 402 . 3 1 1 A 29 29 GLN N N 29 120.561 121.656 -1.095 1
1 404 . 3 1 1 A 30 30 LEU H H 30 7.494 7.496 -0.002 1
1 405 . 3 1 1 A 30 30 LEU HA H 30 4.258 4.034 0.224 1
1 415 . 3 1 1 A 30 30 LEU C C 30 178.956 177.282 1.674 1
1 416 . 3 1 1 A 30 30 LEU CA C 30 55.675 57.459 -1.784 1
1 417 . 3 1 1 A 30 30 LEU CB C 30 42.559 41.960 0.599 1
1 421 . 3 1 1 A 30 30 LEU N N 30 118.106 119.872 -1.766 1
1 422 . 3 1 1 A 31 31 MET H H 31 8.399 7.212 1.187 1
1 423 . 3 1 1 A 31 31 MET HA H 31 4.329 4.898 -0.569 1
1 428 . 3 1 1 A 31 31 MET C C 31 179.515 176.012 3.503 1
1 429 . 3 1 1 A 31 31 MET CA C 31 55.921 54.364 1.557 1
1 430 . 3 1 1 A 31 31 MET CB C 31 31.310 32.439 -1.129 1
1 432 . 3 1 1 A 31 31 MET N N 31 120.008 115.978 4.030 1
1 433 . 3 1 1 A 32 32 ILE H H 32 8.177 8.043 0.134 1
1 434 . 3 1 1 A 32 32 ILE HA H 32 3.423 4.083 -0.660 1
1 444 . 3 1 1 A 32 32 ILE C C 32 179.473 177.550 1.923 1
1 445 . 3 1 1 A 32 32 ILE CA C 32 67.639 63.454 4.185 1
1 446 . 3 1 1 A 32 32 ILE CB C 32 35.767 37.638 -1.871 1
1 450 . 3 1 1 A 32 32 ILE N N 32 114.338 119.445 -5.107 1
1 451 . 3 1 1 A 33 33 THR H H 33 8.957 7.797 1.160 1
1 452 . 3 1 1 A 33 33 THR HA H 33 4.143 4.267 -0.124 1
1 457 . 3 1 1 A 33 33 THR C C 33 174.361 174.490 -0.129 1
1 458 . 3 1 1 A 33 33 THR CA C 33 62.251 64.290 -2.039 1
1 459 . 3 1 1 A 33 33 THR CB C 33 68.581 68.642 -0.061 1
1 461 . 3 1 1 A 33 33 THR N N 33 110.164 114.626 -4.462 1
1 462 . 3 1 1 A 34 34 ARG H H 34 6.509 7.652 -1.143 1
1 463 . 3 1 1 A 34 34 ARG HA H 34 4.862 4.912 -0.050 1
1 470 . 3 1 1 A 34 34 ARG C C 34 174.922 174.457 0.465 1
1 471 . 3 1 1 A 34 34 ARG CA C 34 51.939 54.424 -2.485 1
1 472 . 3 1 1 A 34 34 ARG CB C 34 36.061 33.408 2.653 1
1 475 . 3 1 1 A 34 34 ARG N N 34 116.058 117.792 -1.734 1
1 476 . 3 1 1 A 35 35 ASN H H 35 8.733 8.829 -0.096 1
1 477 . 3 1 1 A 35 35 ASN HA H 35 4.810 5.143 -0.333 1
1 482 . 3 1 1 A 35 35 ASN C C 35 173.986 175.556 -1.570 1
1 483 . 3 1 1 A 35 35 ASN CA C 35 52.107 51.522 0.585 1
1 484 . 3 1 1 A 35 35 ASN CB C 35 36.636 38.343 -1.707 1
1 485 . 3 1 1 A 35 35 ASN N N 35 122.840 118.686 4.154 1
1 487 . 3 1 1 A 36 36 PRO HA H 36 4.197 4.608 -0.411 1
1 494 . 3 1 1 A 36 36 PRO C C 36 178.019 178.710 -0.691 1
1 495 . 3 1 1 A 36 36 PRO CA C 36 67.412 65.765 1.647 1
1 496 . 3 1 1 A 36 36 PRO CB C 36 32.018 31.931 0.087 1
1 499 . 3 1 1 A 37 37 ARG H H 37 7.804 8.515 -0.711 1
1 500 . 3 1 1 A 37 37 ARG HA H 37 3.749 3.921 -0.172 1
1 507 . 3 1 1 A 37 37 ARG C C 37 178.300 178.967 -0.667 1
1 508 . 3 1 1 A 37 37 ARG CA C 37 59.202 58.898 0.304 1
1 509 . 3 1 1 A 37 37 ARG CB C 37 29.435 29.519 -0.084 1
1 512 . 3 1 1 A 37 37 ARG N N 37 117.759 117.935 -0.176 1
1 513 . 3 1 1 A 38 38 GLN H H 38 8.682 8.545 0.137 1
1 514 . 3 1 1 A 38 38 GLN HA H 38 4.043 4.145 -0.102 1
1 521 . 3 1 1 A 38 38 GLN C C 38 180.078 178.038 2.040 1
1 522 . 3 1 1 A 38 38 GLN CA C 38 58.506 59.018 -0.512 1
1 523 . 3 1 1 A 38 38 GLN CB C 38 29.431 28.783 0.648 1
1 525 . 3 1 1 A 38 38 GLN N N 38 117.504 118.389 -0.885 1
1 527 . 3 1 1 A 39 39 CYS H H 39 8.095 7.844 0.251 1
1 528 . 3 1 1 A 39 39 CYS HA H 39 4.059 4.411 -0.352 1
1 531 . 3 1 1 A 39 39 CYS C C 39 173.893 177.199 -3.306 1
1 532 . 3 1 1 A 39 39 CYS CA C 39 64.592 61.765 2.827 1
1 533 . 3 1 1 A 39 39 CYS CB C 39 27.328 27.321 0.007 1
1 534 . 3 1 1 A 39 39 CYS N N 39 116.291 118.769 -2.478 1
1 535 . 3 1 1 A 40 40 ARG H H 40 7.589 7.719 -0.130 1
1 536 . 3 1 1 A 40 40 ARG HA H 40 1.821 2.630 -0.809 1
1 543 . 3 1 1 A 40 40 ARG C C 40 178.204 178.002 0.202 1
1 544 . 3 1 1 A 40 40 ARG CA C 40 58.264 58.854 -0.590 1
1 545 . 3 1 1 A 40 40 ARG CB C 40 29.440 29.023 0.417 1
1 548 . 3 1 1 A 40 40 ARG N N 40 121.272 122.492 -1.220 1
1 549 . 3 1 1 A 41 41 GLU H H 41 8.352 8.098 0.254 1
1 550 . 3 1 1 A 41 41 GLU HA H 41 3.817 4.088 -0.271 1
1 555 . 3 1 1 A 41 41 GLU C C 41 178.718 178.579 0.139 1
1 556 . 3 1 1 A 41 41 GLU CA C 41 58.971 58.902 0.069 1
1 557 . 3 1 1 A 41 41 GLU CB C 41 28.972 28.549 0.423 1
1 559 . 3 1 1 A 41 41 GLU N N 41 117.034 117.032 0.002 1
1 560 . 3 1 1 A 42 42 ARG H H 42 7.755 7.781 -0.026 1
1 561 . 3 1 1 A 42 42 ARG HA H 42 3.931 4.235 -0.304 1
1 568 . 3 1 1 A 42 42 ARG C C 42 179.333 178.564 0.769 1
1 569 . 3 1 1 A 42 42 ARG CA C 42 57.261 59.752 -2.491 1
1 570 . 3 1 1 A 42 42 ARG CB C 42 29.610 30.003 -0.393 1
1 573 . 3 1 1 A 42 42 ARG N N 42 119.603 119.265 0.338 1
1 574 . 3 1 1 A 43 43 TRP H H 43 8.199 8.000 0.199 1
1 575 . 3 1 1 A 43 43 TRP HA H 43 4.292 4.366 -0.074 1
1 579 . 3 1 1 A 43 43 TRP C C 43 176.705 178.771 -2.066 1
1 580 . 3 1 1 A 43 43 TRP CA C 43 57.006 61.315 -4.309 1
1 581 . 3 1 1 A 43 43 TRP CB C 43 29.620 29.710 -0.090 1
1 582 . 3 1 1 A 43 43 TRP N N 43 119.355 122.270 -2.915 1
1 584 . 3 1 1 A 44 44 ASN H H 44 8.478 7.779 0.699 1
1 585 . 3 1 1 A 44 44 ASN HA H 44 4.177 4.493 -0.316 1
1 590 . 3 1 1 A 44 44 ASN C C 44 176.986 177.078 -0.092 1
1 591 . 3 1 1 A 44 44 ASN CA C 44 55.457 55.994 -0.537 1
1 592 . 3 1 1 A 44 44 ASN CB C 44 38.347 38.583 -0.236 1
1 593 . 3 1 1 A 44 44 ASN N N 44 113.530 118.661 -5.131 1
1 595 . 3 1 1 A 45 45 ASN H H 45 8.060 8.233 -0.173 1
1 596 . 3 1 1 A 45 45 ASN HA H 45 4.630 4.739 -0.109 1
1 601 . 3 1 1 A 45 45 ASN C C 45 175.347 175.062 0.285 1
1 602 . 3 1 1 A 45 45 ASN CA C 45 53.350 53.626 -0.276 1
1 603 . 3 1 1 A 45 45 ASN CB C 45 39.047 38.843 0.204 1
1 604 . 3 1 1 A 45 45 ASN N N 45 112.540 114.068 -1.528 1
1 606 . 3 1 1 A 46 46 TYR H H 46 7.443 8.045 -0.602 1
1 607 . 3 1 1 A 46 46 TYR HA H 46 4.447 5.131 -0.684 1
1 614 . 3 1 1 A 46 46 TYR C C 46 175.439 175.035 0.404 1
1 615 . 3 1 1 A 46 46 TYR CA C 46 60.074 59.327 0.747 1
1 616 . 3 1 1 A 46 46 TYR CB C 46 40.383 40.477 -0.094 1
1 621 . 3 1 1 A 46 46 TYR N N 46 117.403 118.655 -1.252 1
1 622 . 3 1 1 A 47 47 ILE HA H 47 3.786 4.616 -0.830 1
1 632 . 3 1 1 A 47 47 ILE C C 47 175.440 173.638 1.802 1
1 633 . 3 1 1 A 47 47 ILE CA C 47 62.240 59.142 3.098 1
1 634 . 3 1 1 A 47 47 ILE CB C 47 38.670 40.920 -2.250 1
1 638 . 3 1 1 A 48 48 ASN H H 48 7.922 8.631 -0.709 1
1 639 . 3 1 1 A 48 48 ASN HA H 48 3.795 4.254 -0.459 1
1 642 . 3 1 1 A 48 48 ASN C C 48 174.640 175.550 -0.910 1
1 643 . 3 1 1 A 48 48 ASN N N 48 119.990 120.423 -0.433 1
1 645 . 3 1 1 A 49 49 PRO HA H 49 4.166 4.433 -0.267 1
1 652 . 3 1 1 A 49 49 PRO C C 49 177.408 176.492 0.916 1
1 653 . 3 1 1 A 49 49 PRO CA C 49 64.124 63.596 0.528 1
1 654 . 3 1 1 A 49 49 PRO CB C 49 31.313 32.656 -1.343 1
1 657 . 3 1 1 A 50 50 ALA H H 50 7.595 7.921 -0.326 1
1 658 . 3 1 1 A 50 50 ALA HA H 50 4.128 3.952 0.176 1
1 662 . 3 1 1 A 50 50 ALA C C 50 178.251 177.601 0.650 1
1 663 . 3 1 1 A 50 50 ALA CA C 50 52.642 52.852 -0.210 1
1 664 . 3 1 1 A 50 50 ALA CB C 50 18.422 17.314 1.108 1
1 665 . 3 1 1 A 50 50 ALA N N 50 120.036 120.385 -0.349 1
1 666 . 3 1 1 A 51 51 LEU H H 51 7.586 7.910 -0.324 1
1 667 . 3 1 1 A 51 51 LEU HA H 51 4.119 4.554 -0.435 1
1 677 . 3 1 1 A 51 51 LEU C C 51 177.686 177.900 -0.214 1
1 678 . 3 1 1 A 51 51 LEU CA C 51 55.219 54.696 0.523 1
1 679 . 3 1 1 A 51 51 LEU CB C 51 41.883 41.697 0.186 1
1 683 . 3 1 1 A 51 51 LEU N N 51 118.197 116.212 1.985 1
1 684 . 3 1 1 A 52 52 ARG H H 52 8.013 7.853 0.160 1
1 685 . 3 1 1 A 52 52 ARG HA H 52 4.334 4.084 0.250 1
1 692 . 3 1 1 A 52 52 ARG C C 52 176.658 176.365 0.293 1
1 693 . 3 1 1 A 52 52 ARG CA C 52 55.923 58.394 -2.471 1
1 694 . 3 1 1 A 52 52 ARG CB C 52 31.086 30.134 0.952 1
1 697 . 3 1 1 A 52 52 ARG N N 52 119.899 120.318 -0.419 1
1 698 . 3 1 1 A 53 53 THR H H 53 8.187 7.566 0.621 1
1 699 . 3 1 1 A 53 53 THR HA H 53 4.345 4.580 -0.235 1
1 704 . 3 1 1 A 53 53 THR C C 53 173.892 172.553 1.339 1
1 705 . 3 1 1 A 53 53 THR CA C 53 60.611 61.206 -0.595 1
1 706 . 3 1 1 A 53 53 THR CB C 53 69.514 68.998 0.516 1
1 708 . 3 1 1 A 53 53 THR N N 53 113.907 112.808 1.099 1
1 709 . 3 1 1 A 54 54 ASP H H 54 8.430 8.868 -0.438 1
1 710 . 3 1 1 A 54 54 ASP HA H 54 4.810 5.185 -0.375 1
1 713 . 3 1 1 A 54 54 ASP C C 54 174.082 173.661 0.421 1
1 714 . 3 1 1 A 54 54 ASP CA C 54 52.578 51.678 0.900 1
1 715 . 3 1 1 A 54 54 ASP CB C 54 39.685 41.524 -1.839 1
1 716 . 3 1 1 A 54 54 ASP N N 54 123.174 127.169 -3.995 1
1 717 . 3 1 1 A 55 55 PRO HA H 55 4.561 4.497 0.064 1
1 724 . 3 1 1 A 55 55 PRO C C 55 177.127 176.764 0.363 1
1 725 . 3 1 1 A 55 55 PRO CA C 55 62.958 62.620 0.338 1
1 726 . 3 1 1 A 55 55 PRO CB C 55 32.013 32.120 -0.107 1
1 729 . 3 1 1 A 56 56 TRP H H 56 8.721 7.706 1.015 1
1 730 . 3 1 1 A 56 56 TRP HA H 56 4.351 4.962 -0.611 1
1 739 . 3 1 1 A 56 56 TRP C C 56 177.127 175.148 1.979 1
1 740 . 3 1 1 A 56 56 TRP CA C 56 57.796 56.268 1.528 1
1 741 . 3 1 1 A 56 56 TRP CB C 56 28.732 31.119 -2.387 1
1 747 . 3 1 1 A 56 56 TRP N N 56 124.713 120.269 4.444 1
1 749 . 3 1 1 A 57 57 SER H H 57 9.085 9.103 -0.018 1
1 750 . 3 1 1 A 57 57 SER HA H 57 4.957 4.856 0.101 1
1 753 . 3 1 1 A 57 57 SER C C 57 173.562 174.315 -0.753 1
1 754 . 3 1 1 A 57 57 SER CA C 57 55.852 56.349 -0.497 1
1 755 . 3 1 1 A 57 57 SER CB C 57 63.824 66.339 -2.515 1
1 756 . 3 1 1 A 57 57 SER N N 57 122.041 114.589 7.452 1
1 757 . 3 1 1 A 58 58 PRO HA H 58 4.444 4.335 0.109 1
1 764 . 3 1 1 A 58 58 PRO C C 58 179.777 178.752 1.025 1
1 765 . 3 1 1 A 58 58 PRO CA C 58 65.071 65.155 -0.084 1
1 766 . 3 1 1 A 58 58 PRO CB C 58 31.546 31.951 -0.405 1
1 769 . 3 1 1 A 59 59 GLU H H 59 8.788 8.501 0.287 1
1 770 . 3 1 1 A 59 59 GLU HA H 59 4.088 4.135 -0.047 1
1 775 . 3 1 1 A 59 59 GLU C C 59 179.656 179.080 0.576 1
1 776 . 3 1 1 A 59 59 GLU CA C 59 60.373 59.913 0.460 1
1 777 . 3 1 1 A 59 59 GLU CB C 59 28.505 29.207 -0.702 1
1 779 . 3 1 1 A 59 59 GLU N N 59 117.546 117.221 0.325 1
1 780 . 3 1 1 A 60 60 GLU H H 60 7.977 8.183 -0.206 1
1 781 . 3 1 1 A 60 60 GLU HA H 60 4.015 4.146 -0.131 1
1 786 . 3 1 1 A 60 60 GLU C C 60 178.440 178.928 -0.488 1
1 787 . 3 1 1 A 60 60 GLU CA C 60 59.913 59.312 0.601 1
1 788 . 3 1 1 A 60 60 GLU CB C 60 31.541 28.873 2.668 1
1 790 . 3 1 1 A 60 60 GLU N N 60 122.264 119.982 2.282 1
1 791 . 3 1 1 A 61 61 ASP H H 61 8.267 8.284 -0.017 1
1 792 . 3 1 1 A 61 61 ASP HA H 61 4.654 4.577 0.077 1
1 795 . 3 1 1 A 61 61 ASP C C 61 179.469 178.723 0.746 1
1 796 . 3 1 1 A 61 61 ASP CA C 61 57.562 57.749 -0.187 1
1 797 . 3 1 1 A 61 61 ASP CB C 61 39.987 41.801 -1.814 1
1 798 . 3 1 1 A 61 61 ASP N N 61 120.543 120.363 0.180 1
1 799 . 3 1 1 A 62 62 MET H H 62 8.139 8.231 -0.092 1
1 800 . 3 1 1 A 62 62 MET HA H 62 4.284 4.259 0.025 1
1 805 . 3 1 1 A 62 62 MET C C 62 178.811 178.414 0.397 1
1 806 . 3 1 1 A 62 62 MET CA C 62 58.505 58.856 -0.351 1
1 807 . 3 1 1 A 62 62 MET CB C 62 32.251 32.834 -0.583 1
1 809 . 3 1 1 A 62 62 MET N N 62 119.343 117.729 1.614 1
1 810 . 3 1 1 A 63 63 LEU H H 63 7.959 7.812 0.147 1
1 811 . 3 1 1 A 63 63 LEU HA H 63 4.212 4.136 0.076 1
1 821 . 3 1 1 A 63 63 LEU C C 63 177.642 178.455 -0.813 1
1 822 . 3 1 1 A 63 63 LEU CA C 63 57.562 57.283 0.279 1
1 823 . 3 1 1 A 63 63 LEU CB C 63 42.096 41.648 0.448 1
1 827 . 3 1 1 A 63 63 LEU N N 63 122.676 121.047 1.629 1
1 828 . 3 1 1 A 64 64 LEU H H 64 8.784 8.453 0.331 1
1 829 . 3 1 1 A 64 64 LEU HA H 64 4.119 4.073 0.046 1
1 839 . 3 1 1 A 64 64 LEU C C 64 177.515 178.098 -0.583 1
1 840 . 3 1 1 A 64 64 LEU CA C 64 58.738 57.858 0.880 1
1 841 . 3 1 1 A 64 64 LEU CB C 64 41.395 41.859 -0.464 1
1 845 . 3 1 1 A 64 64 LEU N N 64 120.877 120.579 0.298 1
1 846 . 3 1 1 A 65 65 ASP H H 65 8.085 8.698 -0.613 1
1 847 . 3 1 1 A 65 65 ASP HA H 65 4.630 4.472 0.158 1
1 850 . 3 1 1 A 65 65 ASP C C 65 179.391 178.579 0.812 1
1 851 . 3 1 1 A 65 65 ASP CA C 65 57.566 57.400 0.166 1
1 852 . 3 1 1 A 65 65 ASP CB C 65 41.626 41.904 -0.278 1
1 853 . 3 1 1 A 65 65 ASP N N 65 118.583 119.208 -0.625 1
1 854 . 3 1 1 A 66 66 GLN H H 66 8.336 7.974 0.362 1
1 855 . 3 1 1 A 66 66 GLN HA H 66 4.050 4.020 0.030 1
1 862 . 3 1 1 A 66 66 GLN C C 66 179.565 178.294 1.271 1
1 863 . 3 1 1 A 66 66 GLN CA C 66 58.739 59.054 -0.315 1
1 864 . 3 1 1 A 66 66 GLN CB C 66 28.502 28.730 -0.228 1
1 866 . 3 1 1 A 66 66 GLN N N 66 118.725 119.359 -0.634 1
1 868 . 3 1 1 A 67 67 LYS H H 67 9.126 7.465 1.661 1
1 869 . 3 1 1 A 67 67 LYS HA H 67 4.142 4.068 0.074 1
1 878 . 3 1 1 A 67 67 LYS C C 67 178.671 178.581 0.090 1
1 879 . 3 1 1 A 67 67 LYS CA C 67 56.156 58.888 -2.732 1
1 880 . 3 1 1 A 67 67 LYS CB C 67 31.550 32.694 -1.144 1
1 884 . 3 1 1 A 67 67 LYS N N 67 117.220 119.066 -1.846 1
1 885 . 3 1 1 A 68 68 TYR H H 68 9.361 8.642 0.719 1
1 886 . 3 1 1 A 68 68 TYR HA H 68 3.819 4.012 -0.193 1
1 893 . 3 1 1 A 68 68 TYR C C 68 179.235 177.509 1.726 1
1 894 . 3 1 1 A 68 68 TYR CA C 68 61.547 61.843 -0.296 1
1 895 . 3 1 1 A 68 68 TYR CB C 68 37.881 38.468 -0.587 1
1 900 . 3 1 1 A 68 68 TYR N N 68 123.884 120.701 3.183 1
1 901 . 3 1 1 A 69 69 ALA H H 69 7.810 8.045 -0.235 1
1 902 . 3 1 1 A 69 69 ALA HA H 69 3.980 4.031 -0.051 1
1 906 . 3 1 1 A 69 69 ALA C C 69 178.673 179.038 -0.365 1
1 907 . 3 1 1 A 69 69 ALA CA C 69 54.755 55.194 -0.439 1
1 908 . 3 1 1 A 69 69 ALA CB C 69 17.253 18.573 -1.320 1
1 909 . 3 1 1 A 69 69 ALA N N 69 121.733 121.579 0.154 1
1 910 . 3 1 1 A 70 70 GLU H H 70 7.091 7.786 -0.695 1
1 911 . 3 1 1 A 70 70 GLU HA H 70 3.848 4.036 -0.188 1
1 916 . 3 1 1 A 70 70 GLU C C 70 178.018 177.674 0.344 1
1 917 . 3 1 1 A 70 70 GLU CA C 70 58.566 58.224 0.342 1
1 918 . 3 1 1 A 70 70 GLU CB C 70 30.609 30.198 0.411 1
1 920 . 3 1 1 A 70 70 GLU N N 70 115.850 116.991 -1.141 1
1 921 . 3 1 1 A 71 71 TYR H H 71 8.270 7.927 0.343 1
1 922 . 3 1 1 A 71 71 TYR HA H 71 4.537 4.229 0.308 1
1 929 . 3 1 1 A 71 71 TYR C C 71 177.174 176.153 1.021 1
1 930 . 3 1 1 A 71 71 TYR CA C 71 57.796 59.482 -1.686 1
1 931 . 3 1 1 A 71 71 TYR CB C 71 40.219 38.559 1.660 1
1 936 . 3 1 1 A 71 71 TYR N N 71 114.509 116.632 -2.123 1
1 937 . 3 1 1 A 72 72 GLY H H 72 8.417 7.783 0.634 1
1 938 . 3 1 1 A 72 72 GLY HA2 H 72 3.720 2.601 1.119 1
1 939 . 3 1 1 A 72 72 GLY HA3 H 72 2.255 3.527 -1.272 1
1 940 . 3 1 1 A 72 72 GLY C C 72 172.111 173.595 -1.484 1
1 941 . 3 1 1 A 72 72 GLY CA C 72 43.439 43.566 -0.127 1
1 942 . 3 1 1 A 72 72 GLY N N 72 111.509 106.418 5.091 1
1 943 . 3 1 1 A 73 73 PRO HA H 73 2.587 2.884 -0.297 1
1 950 . 3 1 1 A 73 73 PRO C C 73 175.393 174.989 0.404 1
1 951 . 3 1 1 A 73 73 PRO CA C 73 62.018 62.858 -0.840 1
1 952 . 3 1 1 A 73 73 PRO CB C 73 28.033 31.794 -3.761 1
1 955 . 3 1 1 A 74 74 LYS H H 74 8.065 7.649 0.416 1
1 956 . 3 1 1 A 74 74 LYS HA H 74 4.259 4.236 0.023 1
1 965 . 3 1 1 A 74 74 LYS C C 74 177.220 176.155 1.065 1
1 966 . 3 1 1 A 74 74 LYS CA C 74 52.641 54.503 -1.862 1
1 967 . 3 1 1 A 74 74 LYS CB C 74 30.145 30.110 0.035 1
1 971 . 3 1 1 A 74 74 LYS N N 74 125.996 120.430 5.566 1
1 972 . 3 1 1 A 75 75 TRP H H 75 6.735 6.885 -0.150 1
1 973 . 3 1 1 A 75 75 TRP HA H 75 4.305 4.356 -0.051 1
1 982 . 3 1 1 A 75 75 TRP C C 75 177.174 178.188 -1.014 1
1 983 . 3 1 1 A 75 75 TRP CA C 75 58.969 60.048 -1.079 1
1 984 . 3 1 1 A 75 75 TRP CB C 75 29.668 28.413 1.255 1
1 990 . 3 1 1 A 75 75 TRP N N 75 122.056 122.089 -0.033 1
1 992 . 3 1 1 A 76 76 ASN H H 76 8.732 8.237 0.495 1
1 993 . 3 1 1 A 76 76 ASN HA H 76 4.606 4.498 0.108 1
1 998 . 3 1 1 A 76 76 ASN C C 76 177.830 176.902 0.928 1
1 999 . 3 1 1 A 76 76 ASN CA C 76 55.925 56.325 -0.400 1
1 1000 . 3 1 1 A 76 76 ASN CB C 76 37.876 38.626 -0.750 1
1 1001 . 3 1 1 A 76 76 ASN N N 76 114.266 119.674 -5.408 1
1 1003 . 3 1 1 A 77 77 LYS H H 77 7.401 7.837 -0.436 1
1 1004 . 3 1 1 A 77 77 LYS HA H 77 3.979 4.001 -0.022 1
1 1013 . 3 1 1 A 77 77 LYS C C 77 178.859 179.006 -0.147 1
1 1014 . 3 1 1 A 77 77 LYS CA C 77 57.800 58.367 -0.567 1
1 1015 . 3 1 1 A 77 77 LYS CB C 77 31.545 32.297 -0.752 1
1 1019 . 3 1 1 A 77 77 LYS N N 77 120.857 118.424 2.433 1
1 1020 . 3 1 1 A 78 78 ILE H H 78 7.754 7.535 0.219 1
1 1021 . 3 1 1 A 78 78 ILE HA H 78 3.679 3.308 0.371 1
1 1031 . 3 1 1 A 78 78 ILE C C 78 178.202 177.837 0.365 1
1 1032 . 3 1 1 A 78 78 ILE CA C 78 65.997 65.310 0.687 1
1 1033 . 3 1 1 A 78 78 ILE CB C 78 38.343 37.980 0.363 1
1 1037 . 3 1 1 A 78 78 ILE N N 78 118.290 121.034 -2.744 1
1 1038 . 3 1 1 A 79 79 SER H H 79 8.386 8.490 -0.104 1
1 1039 . 3 1 1 A 79 79 SER HA H 79 4.049 4.258 -0.209 1
1 1042 . 3 1 1 A 79 79 SER C C 79 175.627 176.573 -0.946 1
1 1043 . 3 1 1 A 79 79 SER CA C 79 61.084 61.600 -0.516 1
1 1044 . 3 1 1 A 79 79 SER CB C 79 62.720 62.657 0.063 1
1 1045 . 3 1 1 A 79 79 SER N N 79 114.363 114.927 -0.564 1
1 1046 . 3 1 1 A 80 80 LYS H H 80 7.017 7.899 -0.882 1
1 1047 . 3 1 1 A 80 80 LYS HA H 80 4.005 4.250 -0.245 1
1 1056 . 3 1 1 A 80 80 LYS C C 80 177.361 178.120 -0.759 1
1 1057 . 3 1 1 A 80 80 LYS CA C 80 57.098 58.014 -0.916 1
1 1058 . 3 1 1 A 80 80 LYS CB C 80 31.083 32.577 -1.494 1
1 1062 . 3 1 1 A 80 80 LYS N N 80 118.534 121.030 -2.496 1
1 1063 . 3 1 1 A 81 81 PHE H H 81 7.932 8.401 -0.469 1
1 1064 . 3 1 1 A 81 81 PHE HA H 81 4.467 4.354 0.113 1
1 1071 . 3 1 1 A 81 81 PHE C C 81 174.969 177.225 -2.256 1
1 1072 . 3 1 1 A 81 81 PHE CA C 81 58.500 60.761 -2.261 1
1 1073 . 3 1 1 A 81 81 PHE CB C 81 39.516 38.982 0.534 1
1 1078 . 3 1 1 A 81 81 PHE N N 81 114.880 117.651 -2.771 1
1 1079 . 3 1 1 A 82 82 LEU H H 82 7.487 7.335 0.152 1
1 1080 . 3 1 1 A 82 82 LEU HA H 82 4.666 4.337 0.329 1
1 1090 . 3 1 1 A 82 82 LEU C C 82 175.107 176.617 -1.510 1
1 1091 . 3 1 1 A 82 82 LEU CA C 82 52.875 56.662 -3.787 1
1 1092 . 3 1 1 A 82 82 LEU CB C 82 42.802 42.232 0.570 1
1 1096 . 3 1 1 A 82 82 LEU N N 82 122.945 118.914 4.031 1
1 1097 . 3 1 1 A 83 83 LYS H H 83 8.256 7.904 0.352 1
1 1098 . 3 1 1 A 83 83 LYS HA H 83 4.120 4.119 0.001 1
1 1107 . 3 1 1 A 83 83 LYS C C 83 176.236 176.343 -0.107 1
1 1108 . 3 1 1 A 83 83 LYS CA C 83 56.630 57.668 -1.038 1
1 1109 . 3 1 1 A 83 83 LYS CB C 83 31.786 29.552 2.234 1
1 1113 . 3 1 1 A 83 83 LYS N N 83 118.856 116.157 2.699 1
1 1114 . 3 1 1 A 84 84 ASN H H 84 8.684 8.259 0.425 1
1 1115 . 3 1 1 A 84 84 ASN HA H 84 4.304 4.909 -0.605 1
1 1120 . 3 1 1 A 84 84 ASN C C 84 173.846 174.467 -0.621 1
1 1121 . 3 1 1 A 84 84 ASN CA C 84 53.816 53.086 0.730 1
1 1122 . 3 1 1 A 84 84 ASN CB C 84 37.176 40.564 -3.388 1
1 1123 . 3 1 1 A 84 84 ASN N N 84 116.099 115.148 0.951 1
1 1125 . 3 1 1 A 85 85 ARG H H 85 7.665 7.676 -0.011 1
1 1126 . 3 1 1 A 85 85 ARG HA H 85 4.675 4.868 -0.193 1
1 1132 . 3 1 1 A 85 85 ARG C C 85 175.529 173.880 1.649 1
1 1133 . 3 1 1 A 85 85 ARG CA C 85 53.112 54.189 -1.077 1
1 1134 . 3 1 1 A 85 85 ARG CB C 85 31.783 34.238 -2.455 1
1 1137 . 3 1 1 A 85 85 ARG N N 85 116.162 118.118 -1.956 1
1 1139 . 3 1 1 A 86 86 SER H H 86 8.864 8.610 0.254 1
1 1140 . 3 1 1 A 86 86 SER HA H 86 4.488 4.982 -0.494 1
1 1143 . 3 1 1 A 86 86 SER C C 86 174.407 175.263 -0.856 1
1 1144 . 3 1 1 A 86 86 SER CA C 86 57.093 55.910 1.183 1
1 1145 . 3 1 1 A 86 86 SER CB C 86 64.840 65.701 -0.861 1
1 1146 . 3 1 1 A 86 86 SER N N 86 119.204 114.470 4.734 1
1 1147 . 3 1 1 A 87 87 ASP H H 87 8.784 8.733 0.051 1
1 1148 . 3 1 1 A 87 87 ASP HA H 87 4.095 4.368 -0.273 1
1 1151 . 3 1 1 A 87 87 ASP C C 87 178.111 178.331 -0.220 1
1 1152 . 3 1 1 A 87 87 ASP CA C 87 57.801 56.935 0.866 1
1 1153 . 3 1 1 A 87 87 ASP CB C 87 39.056 39.761 -0.705 1
1 1154 . 3 1 1 A 87 87 ASP N N 87 121.415 124.832 -3.417 1
1 1155 . 3 1 1 A 88 88 ASN H H 88 8.491 7.811 0.680 1
1 1156 . 3 1 1 A 88 88 ASN HA H 88 4.166 4.439 -0.273 1
1 1161 . 3 1 1 A 88 88 ASN C C 88 176.842 177.490 -0.648 1
1 1162 . 3 1 1 A 88 88 ASN CA C 88 55.458 55.585 -0.127 1
1 1163 . 3 1 1 A 88 88 ASN CB C 88 38.103 37.931 0.172 1
1 1164 . 3 1 1 A 88 88 ASN N N 88 115.811 119.178 -3.367 1
1 1166 . 3 1 1 A 89 89 ASN H H 89 7.959 7.852 0.107 1
1 1167 . 3 1 1 A 89 89 ASN HA H 89 4.422 4.474 -0.052 1
1 1172 . 3 1 1 A 89 89 ASN C C 89 178.159 177.577 0.582 1
1 1173 . 3 1 1 A 89 89 ASN CA C 89 56.632 55.639 0.993 1
1 1174 . 3 1 1 A 89 89 ASN CB C 89 39.749 38.539 1.210 1
1 1175 . 3 1 1 A 89 89 ASN N N 89 120.679 117.049 3.630 1
1 1177 . 3 1 1 A 90 90 ILE H H 90 8.373 8.157 0.216 1
1 1178 . 3 1 1 A 90 90 ILE HA H 90 3.840 4.097 -0.257 1
1 1188 . 3 1 1 A 90 90 ILE C C 90 176.191 177.537 -1.346 1
1 1189 . 3 1 1 A 90 90 ILE CA C 90 65.298 64.694 0.604 1
1 1190 . 3 1 1 A 90 90 ILE CB C 90 38.109 37.486 0.623 1
1 1194 . 3 1 1 A 90 90 ILE N N 90 120.840 119.614 1.226 1
1 1195 . 3 1 1 A 91 91 ARG H H 91 7.749 8.574 -0.825 1
1 1196 . 3 1 1 A 91 91 ARG HA H 91 2.077 3.064 -0.987 1
1 1203 . 3 1 1 A 91 91 ARG C C 91 178.063 177.966 0.097 1
1 1204 . 3 1 1 A 91 91 ARG CA C 91 58.500 58.931 -0.431 1
1 1205 . 3 1 1 A 91 91 ARG CB C 91 28.969 29.795 -0.826 1
1 1208 . 3 1 1 A 91 91 ARG N N 91 120.230 120.288 -0.058 1
1 1209 . 3 1 1 A 92 92 ASN H H 92 7.959 7.926 0.033 1
1 1210 . 3 1 1 A 92 92 ASN HA H 92 4.167 4.436 -0.269 1
1 1215 . 3 1 1 A 92 92 ASN C C 92 177.689 177.798 -0.109 1
1 1216 . 3 1 1 A 92 92 ASN CA C 92 55.640 56.062 -0.422 1
1 1217 . 3 1 1 A 92 92 ASN CB C 92 37.644 38.640 -0.996 1
1 1218 . 3 1 1 A 92 92 ASN N N 92 115.405 117.739 -2.334 1
1 1220 . 3 1 1 A 93 93 ARG H H 93 7.872 7.724 0.148 1
1 1221 . 3 1 1 A 93 93 ARG HA H 93 3.610 3.837 -0.227 1
1 1229 . 3 1 1 A 93 93 ARG C C 93 177.737 179.052 -1.315 1
1 1230 . 3 1 1 A 93 93 ARG CA C 93 57.263 58.889 -1.626 1
1 1231 . 3 1 1 A 93 93 ARG CB C 93 29.141 29.873 -0.732 1
1 1234 . 3 1 1 A 93 93 ARG N N 93 122.360 119.002 3.358 1
1 1236 . 3 1 1 A 94 94 TRP H H 94 8.411 8.872 -0.461 1
1 1237 . 3 1 1 A 94 94 TRP HA H 94 3.818 4.366 -0.548 1
1 1241 . 3 1 1 A 94 94 TRP N N 94 119.510 122.032 -2.522 1
1 1243 . 3 1 1 A 95 95 MET HA H 95 3.725 4.139 -0.414 1
1 1246 . 3 1 1 A 95 95 MET C C 95 178.580 178.420 0.160 1
1 1247 . 3 1 1 A 95 95 MET CA C 95 57.807 58.340 -0.533 1
1 1248 . 3 1 1 A 95 95 MET CB C 95 32.023 32.310 -0.287 1
1 1249 . 3 1 1 A 96 96 MET H H 96 7.580 7.552 0.028 1
1 1250 . 3 1 1 A 96 96 MET HA H 96 3.980 4.233 -0.253 1
1 1255 . 3 1 1 A 96 96 MET C C 96 178.344 178.002 0.342 1
1 1256 . 3 1 1 A 96 96 MET CA C 96 58.033 57.794 0.239 1
1 1257 . 3 1 1 A 96 96 MET CB C 96 31.783 32.345 -0.562 1
1 1259 . 3 1 1 A 96 96 MET N N 96 118.340 118.809 -0.469 1
1 1260 . 3 1 1 A 97 97 ILE H H 97 7.884 8.224 -0.340 1
1 1261 . 3 1 1 A 97 97 ILE HA H 97 3.583 3.817 -0.234 1
1 1271 . 3 1 1 A 97 97 ILE C C 97 178.154 177.581 0.573 1
1 1272 . 3 1 1 A 97 97 ILE CA C 97 63.656 63.688 -0.032 1
1 1273 . 3 1 1 A 97 97 ILE CB C 97 37.637 36.734 0.903 1
1 1277 . 3 1 1 A 97 97 ILE N N 97 120.158 118.320 1.838 1
1 1278 . 3 1 1 A 98 98 ALA H H 98 8.064 8.291 -0.227 1
1 1279 . 3 1 1 A 98 98 ALA HA H 98 3.515 3.710 -0.195 1
1 1283 . 3 1 1 A 98 98 ALA C C 98 180.224 179.767 0.457 1
1 1284 . 3 1 1 A 98 98 ALA CA C 98 54.283 54.293 -0.010 1
1 1285 . 3 1 1 A 98 98 ALA CB C 98 17.251 17.931 -0.680 1
1 1286 . 3 1 1 A 98 98 ALA N N 98 123.446 123.033 0.413 1
1 1287 . 3 1 1 A 99 99 ARG H H 99 7.623 7.772 -0.149 1
1 1288 . 3 1 1 A 99 99 ARG HA H 99 3.934 4.042 -0.108 1
1 1295 . 3 1 1 A 99 99 ARG C C 99 177.923 178.681 -0.758 1
1 1296 . 3 1 1 A 99 99 ARG CA C 99 57.968 58.559 -0.591 1
1 1297 . 3 1 1 A 99 99 ARG CB C 99 29.606 29.606 0.000 1
1 1300 . 3 1 1 A 99 99 ARG N N 99 117.538 119.149 -1.611 1
1 1301 . 3 1 1 A 100 100 HIS H H 100 7.797 7.826 -0.029 1
1 1302 . 3 1 1 A 100 100 HIS HA H 100 4.409 4.196 0.213 1
1 1307 . 3 1 1 A 100 100 HIS C C 100 176.575 177.327 -0.752 1
1 1308 . 3 1 1 A 100 100 HIS CA C 100 57.109 59.210 -2.101 1
1 1309 . 3 1 1 A 100 100 HIS CB C 100 29.204 29.820 -0.616 1
1 1312 . 3 1 1 A 100 100 HIS N N 100 118.311 119.342 -1.031 1
1 1313 . 3 1 1 A 101 101 ARG H H 101 8.057 7.969 0.088 1
1 1314 . 3 1 1 A 101 101 ARG HA H 101 4.062 3.967 0.095 1
1 1321 . 3 1 1 A 101 101 ARG C C 101 177.220 178.497 -1.277 1
1 1322 . 3 1 1 A 101 101 ARG CA C 101 57.556 57.510 0.046 1
1 1323 . 3 1 1 A 101 101 ARG CB C 101 30.157 29.906 0.251 1
1 1326 . 3 1 1 A 101 101 ARG N N 101 119.935 118.369 1.566 1
1 1327 . 3 1 1 A 102 102 ALA H H 102 7.917 7.860 0.057 1
1 1328 . 3 1 1 A 102 102 ALA HA H 102 4.167 4.116 0.051 1
1 1332 . 3 1 1 A 102 102 ALA C C 102 178.532 179.428 -0.896 1
1 1333 . 3 1 1 A 102 102 ALA CA C 102 53.103 54.925 -1.822 1
1 1334 . 3 1 1 A 102 102 ALA CB C 102 18.447 18.332 0.115 1
1 1335 . 3 1 1 A 102 102 ALA N N 102 122.678 123.759 -1.081 1
1 1336 . 3 1 1 A 103 103 LYS H H 103 7.884 7.549 0.335 1
1 1337 . 3 1 1 A 103 103 LYS HA H 103 4.121 4.288 -0.167 1
1 1346 . 3 1 1 A 103 103 LYS C C 103 177.080 175.515 1.565 1
1 1347 . 3 1 1 A 103 103 LYS CA C 103 56.856 55.746 1.110 1
1 1348 . 3 1 1 A 103 103 LYS CB C 103 32.480 32.210 0.270 1
1 1352 . 3 1 1 A 103 103 LYS N N 103 118.773 115.548 3.225 1
1 1353 . 3 1 1 A 104 104 HIS H H 104 8.118 8.257 -0.139 1
1 1354 . 3 1 1 A 104 104 HIS HA H 104 4.560 4.123 0.437 1
1 1359 . 3 1 1 A 104 104 HIS C C 104 175.204 175.118 0.086 1
1 1360 . 3 1 1 A 104 104 HIS CA C 104 55.932 57.060 -1.128 1
1 1361 . 3 1 1 A 104 104 HIS CB C 104 29.448 26.508 2.940 1
1 1364 . 3 1 1 A 104 104 HIS N N 104 118.685 114.319 4.366 1
1 1365 . 3 1 1 A 105 105 GLN H H 105 8.233 7.931 0.302 1
1 1366 . 3 1 1 A 105 105 GLN HA H 105 4.218 4.061 0.157 1
1 1373 . 3 1 1 A 105 105 GLN C C 105 176.172 178.387 -2.215 1
1 1374 . 3 1 1 A 105 105 GLN CA C 105 56.130 58.439 -2.309 1
1 1375 . 3 1 1 A 105 105 GLN CB C 105 28.976 28.229 0.747 1
1 1377 . 3 1 1 A 105 105 GLN N N 105 121.104 118.023 3.081 1
1 1379 . 3 1 1 A 106 106 LYS H H 106 8.346 8.040 0.306 1
1 1380 . 3 1 1 A 106 106 LYS HA H 106 4.239 4.046 0.193 1
1 1389 . 3 1 1 A 106 106 LYS C C 106 177.022 178.675 -1.653 1
1 1390 . 3 1 1 A 106 106 LYS CA C 106 56.647 58.320 -1.673 1
1 1391 . 3 1 1 A 106 106 LYS CB C 106 32.481 32.117 0.364 1
1 1395 . 3 1 1 A 106 106 LYS N N 106 122.274 119.172 3.102 1
1 16 . 4 1 1 A 2 2 VAL H H 2 8.319 8.616 -0.297 1
1 17 . 4 1 1 A 2 2 VAL HA H 2 4.096 4.032 0.064 1
1 25 . 4 1 1 A 2 2 VAL C C 2 176.167 177.466 -1.299 1
1 26 . 4 1 1 A 2 2 VAL CA C 2 67.781 62.032 5.749 1
1 27 . 4 1 1 A 2 2 VAL CB C 2 32.484 31.760 0.724 1
1 30 . 4 1 1 A 2 2 VAL N N 2 122.596 123.429 -0.833 1
1 31 . 4 1 1 A 3 3 LYS H H 3 8.470 8.515 -0.045 1
1 32 . 4 1 1 A 3 3 LYS HA H 3 4.327 3.864 0.463 1
1 41 . 4 1 1 A 3 3 LYS C C 3 176.713 176.971 -0.258 1
1 42 . 4 1 1 A 3 3 LYS CA C 3 56.391 59.870 -3.479 1
1 43 . 4 1 1 A 3 3 LYS CB C 3 32.723 32.097 0.626 1
1 47 . 4 1 1 A 3 3 LYS N N 3 127.359 124.200 3.159 1
1 48 . 4 1 1 A 4 4 PHE H H 4 8.471 7.056 1.415 1
1 49 . 4 1 1 A 4 4 PHE HA H 4 4.491 4.602 -0.111 1
1 57 . 4 1 1 A 4 4 PHE C C 4 177.923 175.235 2.688 1
1 58 . 4 1 1 A 4 4 PHE CA C 4 57.566 56.165 1.401 1
1 59 . 4 1 1 A 4 4 PHE CB C 4 39.751 40.210 -0.459 1
1 65 . 4 1 1 A 4 4 PHE N N 4 125.570 116.710 8.860 1
1 66 . 4 1 1 A 5 5 THR H H 5 8.880 8.437 0.443 1
1 67 . 4 1 1 A 5 5 THR HA H 5 4.490 4.675 -0.185 1
1 72 . 4 1 1 A 5 5 THR C C 5 175.297 176.120 -0.823 1
1 73 . 4 1 1 A 5 5 THR CA C 5 60.140 60.528 -0.388 1
1 74 . 4 1 1 A 5 5 THR CB C 5 70.922 70.466 0.456 1
1 76 . 4 1 1 A 5 5 THR N N 5 114.601 115.257 -0.656 1
1 77 . 4 1 1 A 6 6 GLU H H 6 9.000 9.148 -0.148 1
1 78 . 4 1 1 A 6 6 GLU HA H 6 4.142 4.208 -0.066 1
1 83 . 4 1 1 A 6 6 GLU C C 6 179.326 178.657 0.669 1
1 84 . 4 1 1 A 6 6 GLU CA C 6 59.675 59.505 0.170 1
1 85 . 4 1 1 A 6 6 GLU CB C 6 29.203 29.237 -0.034 1
1 87 . 4 1 1 A 6 6 GLU N N 6 121.577 124.852 -3.275 1
1 88 . 4 1 1 A 7 7 GLU H H 7 8.658 7.970 0.688 1
1 89 . 4 1 1 A 7 7 GLU HA H 7 4.026 4.019 0.007 1
1 94 . 4 1 1 A 7 7 GLU C C 7 179.616 178.801 0.815 1
1 95 . 4 1 1 A 7 7 GLU CA C 7 59.683 59.645 0.038 1
1 96 . 4 1 1 A 7 7 GLU CB C 7 28.972 29.146 -0.174 1
1 98 . 4 1 1 A 7 7 GLU N N 7 118.231 119.798 -1.567 1
1 99 . 4 1 1 A 8 8 GLU H H 8 7.930 8.462 -0.532 1
1 100 . 4 1 1 A 8 8 GLU HA H 8 3.955 4.046 -0.091 1
1 105 . 4 1 1 A 8 8 GLU C C 8 178.395 178.197 0.198 1
1 106 . 4 1 1 A 8 8 GLU CA C 8 59.672 59.398 0.274 1
1 107 . 4 1 1 A 8 8 GLU CB C 8 31.318 29.375 1.943 1
1 109 . 4 1 1 A 8 8 GLU N N 8 121.169 119.649 1.520 1
1 110 . 4 1 1 A 9 9 ASP H H 9 8.507 8.019 0.488 1
1 111 . 4 1 1 A 9 9 ASP HA H 9 4.677 4.228 0.449 1
1 114 . 4 1 1 A 9 9 ASP C C 9 179.329 177.734 1.595 1
1 115 . 4 1 1 A 9 9 ASP CA C 9 57.562 56.957 0.605 1
1 116 . 4 1 1 A 9 9 ASP CB C 9 40.217 41.362 -1.145 1
1 117 . 4 1 1 A 9 9 ASP N N 9 121.164 120.109 1.055 1
1 118 . 4 1 1 A 10 10 LEU H H 10 8.042 7.589 0.453 1
1 119 . 4 1 1 A 10 10 LEU HA H 10 4.143 4.067 0.076 1
1 129 . 4 1 1 A 10 10 LEU C C 10 179.329 178.888 0.441 1
1 130 . 4 1 1 A 10 10 LEU CA C 10 57.796 57.491 0.305 1
1 131 . 4 1 1 A 10 10 LEU CB C 10 41.392 41.257 0.135 1
1 135 . 4 1 1 A 10 10 LEU N N 10 120.628 119.308 1.320 1
1 136 . 4 1 1 A 11 11 LYS H H 11 8.040 8.372 -0.332 1
1 137 . 4 1 1 A 11 11 LYS HA H 11 4.049 3.980 0.069 1
1 146 . 4 1 1 A 11 11 LYS C C 11 178.345 179.334 -0.989 1
1 147 . 4 1 1 A 11 11 LYS CA C 11 59.199 60.542 -1.343 1
1 148 . 4 1 1 A 11 11 LYS CB C 11 32.488 32.442 0.046 1
1 152 . 4 1 1 A 11 11 LYS N N 11 121.016 118.464 2.552 1
1 153 . 4 1 1 A 12 12 LEU H H 12 8.865 8.251 0.614 1
1 154 . 4 1 1 A 12 12 LEU HA H 12 4.258 3.906 0.352 1
1 164 . 4 1 1 A 12 12 LEU C C 12 178.298 179.238 -0.940 1
1 165 . 4 1 1 A 12 12 LEU CA C 12 58.500 57.873 0.627 1
1 166 . 4 1 1 A 12 12 LEU CB C 12 41.389 41.447 -0.058 1
1 169 . 4 1 1 A 12 12 LEU N N 12 120.138 120.421 -0.283 1
1 170 . 4 1 1 A 13 13 GLN H H 13 8.400 7.800 0.600 1
1 171 . 4 1 1 A 13 13 GLN HA H 13 4.097 4.009 0.088 1
1 178 . 4 1 1 A 13 13 GLN C C 13 178.254 177.904 0.350 1
1 179 . 4 1 1 A 13 13 GLN CA C 13 59.693 59.407 0.286 1
1 180 . 4 1 1 A 13 13 GLN CB C 13 28.733 28.465 0.268 1
1 182 . 4 1 1 A 13 13 GLN N N 13 117.136 118.561 -1.425 1
1 184 . 4 1 1 A 14 14 GLN H H 14 8.175 7.616 0.559 1
1 185 . 4 1 1 A 14 14 GLN HA H 14 3.980 4.156 -0.176 1
1 192 . 4 1 1 A 14 14 GLN C C 14 179.518 178.590 0.928 1
1 193 . 4 1 1 A 14 14 GLN CA C 14 58.745 58.174 0.571 1
1 194 . 4 1 1 A 14 14 GLN CB C 14 28.034 28.943 -0.909 1
1 196 . 4 1 1 A 14 14 GLN N N 14 117.947 118.095 -0.148 1
1 198 . 4 1 1 A 15 15 LEU H H 15 8.721 8.526 0.195 1
1 199 . 4 1 1 A 15 15 LEU HA H 15 4.143 3.902 0.241 1
1 209 . 4 1 1 A 15 15 LEU C C 15 178.956 179.111 -0.155 1
1 210 . 4 1 1 A 15 15 LEU CA C 15 57.562 58.030 -0.468 1
1 211 . 4 1 1 A 15 15 LEU CB C 15 42.801 42.381 0.420 1
1 215 . 4 1 1 A 15 15 LEU N N 15 120.641 119.973 0.668 1
1 216 . 4 1 1 A 16 16 VAL H H 16 8.603 8.446 0.157 1
1 217 . 4 1 1 A 16 16 VAL HA H 16 3.230 3.335 -0.105 1
1 225 . 4 1 1 A 16 16 VAL C C 16 179.988 177.995 1.993 1
1 226 . 4 1 1 A 16 16 VAL CA C 16 65.733 66.756 -1.023 1
1 227 . 4 1 1 A 16 16 VAL CB C 16 30.609 31.422 -0.813 1
1 230 . 4 1 1 A 16 16 VAL N N 16 120.873 117.410 3.463 1
1 231 . 4 1 1 A 17 17 MET H H 17 8.058 8.106 -0.048 1
1 232 . 4 1 1 A 17 17 MET HA H 17 4.050 4.163 -0.113 1
1 237 . 4 1 1 A 17 17 MET C C 17 177.501 178.413 -0.912 1
1 238 . 4 1 1 A 17 17 MET CA C 17 58.270 58.158 0.112 1
1 239 . 4 1 1 A 17 17 MET CB C 17 31.784 32.270 -0.486 1
1 241 . 4 1 1 A 17 17 MET N N 17 119.240 120.404 -1.164 1
1 242 . 4 1 1 A 18 18 ARG H H 18 7.406 8.046 -0.640 1
1 243 . 4 1 1 A 18 18 ARG HA H 18 3.957 3.893 0.064 1
1 250 . 4 1 1 A 18 18 ARG C C 18 177.691 177.220 0.471 1
1 251 . 4 1 1 A 18 18 ARG CA C 18 58.301 58.335 -0.034 1
1 252 . 4 1 1 A 18 18 ARG CB C 18 30.842 29.741 1.101 1
1 255 . 4 1 1 A 18 18 ARG N N 18 117.487 120.540 -3.053 1
1 256 . 4 1 1 A 19 19 TYR H H 19 8.571 7.476 1.095 1
1 257 . 4 1 1 A 19 19 TYR HA H 19 4.490 4.474 0.016 1
1 264 . 4 1 1 A 19 19 TYR C C 19 176.706 175.812 0.894 1
1 265 . 4 1 1 A 19 19 TYR CA C 19 58.739 57.743 0.996 1
1 266 . 4 1 1 A 19 19 TYR CB C 19 39.044 38.394 0.650 1
1 271 . 4 1 1 A 19 19 TYR N N 19 115.284 115.506 -0.222 1
1 272 . 4 1 1 A 20 20 GLY H H 20 8.148 9.374 -1.226 1
1 273 . 4 1 1 A 20 20 GLY HA2 H 20 3.609 3.874 -0.265 1
1 274 . 4 1 1 A 20 20 GLY HA3 H 20 4.137 3.899 0.238 1
1 275 . 4 1 1 A 20 20 GLY C C 20 171.784 173.613 -1.829 1
1 276 . 4 1 1 A 20 20 GLY CA C 20 43.972 46.312 -2.340 1
1 277 . 4 1 1 A 20 20 GLY N N 20 110.830 108.339 2.491 1
1 278 . 4 1 1 A 21 21 ALA H H 21 7.886 7.471 0.415 1
1 279 . 4 1 1 A 21 21 ALA HA H 21 3.400 3.799 -0.399 1
1 283 . 4 1 1 A 21 21 ALA C C 21 176.002 176.853 -0.851 1
1 284 . 4 1 1 A 21 21 ALA CA C 21 49.825 50.920 -1.095 1
1 285 . 4 1 1 A 21 21 ALA CB C 21 17.960 18.012 -0.052 1
1 286 . 4 1 1 A 21 21 ALA N N 21 119.337 121.955 -2.618 1
1 287 . 4 1 1 A 22 22 LYS H H 22 7.424 7.586 -0.162 1
1 288 . 4 1 1 A 22 22 LYS HA H 22 4.258 4.587 -0.329 1
1 297 . 4 1 1 A 22 22 LYS C C 22 175.769 176.157 -0.388 1
1 298 . 4 1 1 A 22 22 LYS CA C 22 55.921 56.532 -0.611 1
1 299 . 4 1 1 A 22 22 LYS CB C 22 33.371 34.712 -1.341 1
1 303 . 4 1 1 A 22 22 LYS N N 22 115.793 114.276 1.517 1
1 304 . 4 1 1 A 23 23 ASP H H 23 7.724 7.529 0.195 1
1 305 . 4 1 1 A 23 23 ASP HA H 23 4.700 4.945 -0.245 1
1 308 . 4 1 1 A 23 23 ASP C C 23 176.142 176.234 -0.092 1
1 309 . 4 1 1 A 23 23 ASP CA C 23 51.704 52.999 -1.295 1
1 310 . 4 1 1 A 23 23 ASP CB C 23 39.514 40.721 -1.207 1
1 311 . 4 1 1 A 23 23 ASP N N 23 119.398 118.461 0.937 1
1 312 . 4 1 1 A 24 24 TRP H H 24 8.035 7.704 0.331 1
1 313 . 4 1 1 A 24 24 TRP HA H 24 4.258 4.279 -0.021 1
1 322 . 4 1 1 A 24 24 TRP C C 24 178.252 178.171 0.081 1
1 323 . 4 1 1 A 24 24 TRP CA C 24 58.736 59.952 -1.216 1
1 324 . 4 1 1 A 24 24 TRP CB C 24 28.970 28.701 0.269 1
1 330 . 4 1 1 A 24 24 TRP N N 24 123.130 120.316 2.814 1
1 332 . 4 1 1 A 25 25 ILE H H 25 8.092 7.772 0.320 1
1 333 . 4 1 1 A 25 25 ILE HA H 25 3.724 3.825 -0.101 1
1 343 . 4 1 1 A 25 25 ILE C C 25 177.806 178.016 -0.210 1
1 344 . 4 1 1 A 25 25 ILE CA C 25 65.060 64.747 0.313 1
1 345 . 4 1 1 A 25 25 ILE CB C 25 36.234 37.340 -1.106 1
1 349 . 4 1 1 A 25 25 ILE N N 25 121.518 115.594 5.924 1
1 350 . 4 1 1 A 26 26 ARG H H 26 7.503 7.945 -0.442 1
1 351 . 4 1 1 A 26 26 ARG HA H 26 3.864 3.947 -0.083 1
1 358 . 4 1 1 A 26 26 ARG C C 26 178.303 178.169 0.134 1
1 359 . 4 1 1 A 26 26 ARG CA C 26 58.267 59.403 -1.136 1
1 360 . 4 1 1 A 26 26 ARG CB C 26 29.680 30.340 -0.660 1
1 363 . 4 1 1 A 26 26 ARG N N 26 122.119 120.795 1.324 1
1 364 . 4 1 1 A 27 27 ILE H H 27 7.340 7.643 -0.303 1
1 365 . 4 1 1 A 27 27 ILE HA H 27 3.450 3.668 -0.218 1
1 375 . 4 1 1 A 27 27 ILE C C 27 177.689 178.397 -0.708 1
1 376 . 4 1 1 A 27 27 ILE CA C 27 63.893 65.233 -1.340 1
1 377 . 4 1 1 A 27 27 ILE CB C 27 36.474 37.283 -0.809 1
1 381 . 4 1 1 A 27 27 ILE N N 27 115.446 120.733 -5.287 1
1 382 . 4 1 1 A 28 28 SER H H 28 8.203 7.976 0.227 1
1 383 . 4 1 1 A 28 28 SER HA H 28 4.144 4.330 -0.186 1
1 386 . 4 1 1 A 28 28 SER C C 28 177.220 177.048 0.172 1
1 387 . 4 1 1 A 28 28 SER CA C 28 61.085 61.415 -0.330 1
1 388 . 4 1 1 A 28 28 SER CB C 28 63.421 63.166 0.255 1
1 389 . 4 1 1 A 28 28 SER N N 28 113.324 116.841 -3.517 1
1 390 . 4 1 1 A 29 29 GLN H H 29 8.177 7.441 0.736 1
1 391 . 4 1 1 A 29 29 GLN HA H 29 4.003 4.068 -0.065 1
1 398 . 4 1 1 A 29 29 GLN C C 29 178.910 178.996 -0.086 1
1 399 . 4 1 1 A 29 29 GLN CA C 29 58.503 58.889 -0.386 1
1 400 . 4 1 1 A 29 29 GLN CB C 29 27.796 28.148 -0.352 1
1 402 . 4 1 1 A 29 29 GLN N N 29 120.561 121.658 -1.097 1
1 404 . 4 1 1 A 30 30 LEU H H 30 7.494 7.507 -0.013 1
1 405 . 4 1 1 A 30 30 LEU HA H 30 4.258 4.083 0.175 1
1 415 . 4 1 1 A 30 30 LEU C C 30 178.956 177.243 1.713 1
1 416 . 4 1 1 A 30 30 LEU CA C 30 55.675 57.416 -1.741 1
1 417 . 4 1 1 A 30 30 LEU CB C 30 42.559 42.084 0.475 1
1 421 . 4 1 1 A 30 30 LEU N N 30 118.106 119.764 -1.658 1
1 422 . 4 1 1 A 31 31 MET H H 31 8.399 7.286 1.113 1
1 423 . 4 1 1 A 31 31 MET HA H 31 4.329 4.931 -0.602 1
1 428 . 4 1 1 A 31 31 MET C C 31 179.515 176.066 3.449 1
1 429 . 4 1 1 A 31 31 MET CA C 31 55.921 54.333 1.588 1
1 430 . 4 1 1 A 31 31 MET CB C 31 31.310 32.117 -0.807 1
1 432 . 4 1 1 A 31 31 MET N N 31 120.008 115.933 4.075 1
1 433 . 4 1 1 A 32 32 ILE H H 32 8.177 8.088 0.089 1
1 434 . 4 1 1 A 32 32 ILE HA H 32 3.423 4.087 -0.664 1
1 444 . 4 1 1 A 32 32 ILE C C 32 179.473 177.966 1.507 1
1 445 . 4 1 1 A 32 32 ILE CA C 32 67.639 63.275 4.364 1
1 446 . 4 1 1 A 32 32 ILE CB C 32 35.767 37.799 -2.032 1
1 450 . 4 1 1 A 32 32 ILE N N 32 114.338 119.252 -4.914 1
1 451 . 4 1 1 A 33 33 THR H H 33 8.957 7.756 1.201 1
1 452 . 4 1 1 A 33 33 THR HA H 33 4.143 4.195 -0.052 1
1 457 . 4 1 1 A 33 33 THR C C 33 174.361 174.140 0.221 1
1 458 . 4 1 1 A 33 33 THR CA C 33 62.251 64.604 -2.353 1
1 459 . 4 1 1 A 33 33 THR CB C 33 68.581 68.722 -0.141 1
1 461 . 4 1 1 A 33 33 THR N N 33 110.164 113.653 -3.489 1
1 462 . 4 1 1 A 34 34 ARG H H 34 6.509 7.383 -0.874 1
1 463 . 4 1 1 A 34 34 ARG HA H 34 4.862 4.726 0.136 1
1 470 . 4 1 1 A 34 34 ARG C C 34 174.922 174.317 0.605 1
1 471 . 4 1 1 A 34 34 ARG CA C 34 51.939 54.414 -2.475 1
1 472 . 4 1 1 A 34 34 ARG CB C 34 36.061 33.359 2.702 1
1 475 . 4 1 1 A 34 34 ARG N N 34 116.058 118.849 -2.791 1
1 476 . 4 1 1 A 35 35 ASN H H 35 8.733 9.075 -0.342 1
1 477 . 4 1 1 A 35 35 ASN HA H 35 4.810 5.171 -0.361 1
1 482 . 4 1 1 A 35 35 ASN C C 35 173.986 175.485 -1.499 1
1 483 . 4 1 1 A 35 35 ASN CA C 35 52.107 51.175 0.932 1
1 484 . 4 1 1 A 35 35 ASN CB C 35 36.636 38.352 -1.716 1
1 485 . 4 1 1 A 35 35 ASN N N 35 122.840 117.495 5.345 1
1 487 . 4 1 1 A 36 36 PRO HA H 36 4.197 4.599 -0.402 1
1 494 . 4 1 1 A 36 36 PRO C C 36 178.019 178.684 -0.665 1
1 495 . 4 1 1 A 36 36 PRO CA C 36 67.412 65.761 1.651 1
1 496 . 4 1 1 A 36 36 PRO CB C 36 32.018 31.929 0.089 1
1 499 . 4 1 1 A 37 37 ARG H H 37 7.804 8.418 -0.614 1
1 500 . 4 1 1 A 37 37 ARG HA H 37 3.749 3.884 -0.135 1
1 507 . 4 1 1 A 37 37 ARG C C 37 178.300 179.033 -0.733 1
1 508 . 4 1 1 A 37 37 ARG CA C 37 59.202 58.834 0.368 1
1 509 . 4 1 1 A 37 37 ARG CB C 37 29.435 29.456 -0.021 1
1 512 . 4 1 1 A 37 37 ARG N N 37 117.759 117.939 -0.180 1
1 513 . 4 1 1 A 38 38 GLN H H 38 8.682 8.413 0.269 1
1 514 . 4 1 1 A 38 38 GLN HA H 38 4.043 4.124 -0.081 1
1 521 . 4 1 1 A 38 38 GLN C C 38 180.078 178.897 1.181 1
1 522 . 4 1 1 A 38 38 GLN CA C 38 58.506 59.221 -0.715 1
1 523 . 4 1 1 A 38 38 GLN CB C 38 29.431 28.703 0.728 1
1 525 . 4 1 1 A 38 38 GLN N N 38 117.504 119.209 -1.705 1
1 527 . 4 1 1 A 39 39 CYS H H 39 8.095 7.981 0.114 1
1 528 . 4 1 1 A 39 39 CYS HA H 39 4.059 4.267 -0.208 1
1 531 . 4 1 1 A 39 39 CYS C C 39 173.893 176.991 -3.098 1
1 532 . 4 1 1 A 39 39 CYS CA C 39 64.592 63.490 1.102 1
1 533 . 4 1 1 A 39 39 CYS CB C 39 27.328 26.791 0.537 1
1 534 . 4 1 1 A 39 39 CYS N N 39 116.291 118.658 -2.367 1
1 535 . 4 1 1 A 40 40 ARG H H 40 7.589 7.532 0.057 1
1 536 . 4 1 1 A 40 40 ARG HA H 40 1.821 2.959 -1.138 1
1 543 . 4 1 1 A 40 40 ARG C C 40 178.204 178.400 -0.196 1
1 544 . 4 1 1 A 40 40 ARG CA C 40 58.264 59.058 -0.794 1
1 545 . 4 1 1 A 40 40 ARG CB C 40 29.440 29.405 0.035 1
1 548 . 4 1 1 A 40 40 ARG N N 40 121.272 121.546 -0.274 1
1 549 . 4 1 1 A 41 41 GLU H H 41 8.352 8.294 0.058 1
1 550 . 4 1 1 A 41 41 GLU HA H 41 3.817 4.035 -0.218 1
1 555 . 4 1 1 A 41 41 GLU C C 41 178.718 178.979 -0.261 1
1 556 . 4 1 1 A 41 41 GLU CA C 41 58.971 58.758 0.213 1
1 557 . 4 1 1 A 41 41 GLU CB C 41 28.972 28.241 0.731 1
1 559 . 4 1 1 A 41 41 GLU N N 41 117.034 117.019 0.015 1
1 560 . 4 1 1 A 42 42 ARG H H 42 7.755 7.791 -0.036 1
1 561 . 4 1 1 A 42 42 ARG HA H 42 3.931 4.255 -0.324 1
1 568 . 4 1 1 A 42 42 ARG C C 42 179.333 178.279 1.054 1
1 569 . 4 1 1 A 42 42 ARG CA C 42 57.261 58.943 -1.682 1
1 570 . 4 1 1 A 42 42 ARG CB C 42 29.610 30.243 -0.633 1
1 573 . 4 1 1 A 42 42 ARG N N 42 119.603 120.226 -0.623 1
1 574 . 4 1 1 A 43 43 TRP H H 43 8.199 8.145 0.054 1
1 575 . 4 1 1 A 43 43 TRP HA H 43 4.292 4.358 -0.066 1
1 579 . 4 1 1 A 43 43 TRP C C 43 176.705 178.391 -1.686 1
1 580 . 4 1 1 A 43 43 TRP CA C 43 57.006 61.366 -4.360 1
1 581 . 4 1 1 A 43 43 TRP CB C 43 29.620 29.878 -0.258 1
1 582 . 4 1 1 A 43 43 TRP N N 43 119.355 121.986 -2.631 1
1 584 . 4 1 1 A 44 44 ASN H H 44 8.478 8.550 -0.072 1
1 585 . 4 1 1 A 44 44 ASN HA H 44 4.177 4.253 -0.076 1
1 590 . 4 1 1 A 44 44 ASN C C 44 176.986 177.243 -0.257 1
1 591 . 4 1 1 A 44 44 ASN CA C 44 55.457 55.874 -0.417 1
1 592 . 4 1 1 A 44 44 ASN CB C 44 38.347 37.415 0.932 1
1 593 . 4 1 1 A 44 44 ASN N N 44 113.530 117.181 -3.651 1
1 595 . 4 1 1 A 45 45 ASN H H 45 8.060 7.955 0.105 1
1 596 . 4 1 1 A 45 45 ASN HA H 45 4.630 4.696 -0.066 1
1 601 . 4 1 1 A 45 45 ASN C C 45 175.347 174.985 0.362 1
1 602 . 4 1 1 A 45 45 ASN CA C 45 53.350 53.709 -0.359 1
1 603 . 4 1 1 A 45 45 ASN CB C 45 39.047 38.861 0.186 1
1 604 . 4 1 1 A 45 45 ASN N N 45 112.540 116.510 -3.970 1
1 606 . 4 1 1 A 46 46 TYR H H 46 7.443 7.840 -0.397 1
1 607 . 4 1 1 A 46 46 TYR HA H 46 4.447 5.122 -0.675 1
1 614 . 4 1 1 A 46 46 TYR C C 46 175.439 175.084 0.355 1
1 615 . 4 1 1 A 46 46 TYR CA C 46 60.074 59.203 0.871 1
1 616 . 4 1 1 A 46 46 TYR CB C 46 40.383 40.539 -0.156 1
1 621 . 4 1 1 A 46 46 TYR N N 46 117.403 118.876 -1.473 1
1 622 . 4 1 1 A 47 47 ILE HA H 47 3.786 4.740 -0.954 1
1 632 . 4 1 1 A 47 47 ILE C C 47 175.440 174.189 1.251 1
1 633 . 4 1 1 A 47 47 ILE CA C 47 62.240 59.398 2.842 1
1 634 . 4 1 1 A 47 47 ILE CB C 47 38.670 41.089 -2.419 1
1 638 . 4 1 1 A 48 48 ASN H H 48 7.922 8.789 -0.867 1
1 639 . 4 1 1 A 48 48 ASN HA H 48 3.795 4.717 -0.922 1
1 642 . 4 1 1 A 48 48 ASN C C 48 174.640 174.807 -0.167 1
1 643 . 4 1 1 A 48 48 ASN N N 48 119.990 120.617 -0.627 1
1 645 . 4 1 1 A 49 49 PRO HA H 49 4.166 4.355 -0.189 1
1 652 . 4 1 1 A 49 49 PRO C C 49 177.408 176.907 0.501 1
1 653 . 4 1 1 A 49 49 PRO CA C 49 64.124 65.098 -0.974 1
1 654 . 4 1 1 A 49 49 PRO CB C 49 31.313 31.609 -0.296 1
1 657 . 4 1 1 A 50 50 ALA H H 50 7.595 7.810 -0.215 1
1 658 . 4 1 1 A 50 50 ALA HA H 50 4.128 4.531 -0.403 1
1 662 . 4 1 1 A 50 50 ALA C C 50 178.251 177.227 1.024 1
1 663 . 4 1 1 A 50 50 ALA CA C 50 52.642 51.801 0.841 1
1 664 . 4 1 1 A 50 50 ALA CB C 50 18.422 19.682 -1.260 1
1 665 . 4 1 1 A 50 50 ALA N N 50 120.036 118.628 1.408 1
1 666 . 4 1 1 A 51 51 LEU H H 51 7.586 8.087 -0.501 1
1 667 . 4 1 1 A 51 51 LEU HA H 51 4.119 4.105 0.014 1
1 677 . 4 1 1 A 51 51 LEU C C 51 177.686 178.387 -0.701 1
1 678 . 4 1 1 A 51 51 LEU CA C 51 55.219 56.191 -0.972 1
1 679 . 4 1 1 A 51 51 LEU CB C 51 41.883 41.248 0.635 1
1 683 . 4 1 1 A 51 51 LEU N N 51 118.197 118.446 -0.249 1
1 684 . 4 1 1 A 52 52 ARG H H 52 8.013 7.955 0.058 1
1 685 . 4 1 1 A 52 52 ARG HA H 52 4.334 4.177 0.157 1
1 692 . 4 1 1 A 52 52 ARG C C 52 176.658 176.213 0.445 1
1 693 . 4 1 1 A 52 52 ARG CA C 52 55.923 58.609 -2.686 1
1 694 . 4 1 1 A 52 52 ARG CB C 52 31.086 30.522 0.564 1
1 697 . 4 1 1 A 52 52 ARG N N 52 119.899 119.258 0.641 1
1 698 . 4 1 1 A 53 53 THR H H 53 8.187 7.544 0.643 1
1 699 . 4 1 1 A 53 53 THR HA H 53 4.345 4.544 -0.199 1
1 704 . 4 1 1 A 53 53 THR C C 53 173.892 172.563 1.329 1
1 705 . 4 1 1 A 53 53 THR CA C 53 60.611 60.878 -0.267 1
1 706 . 4 1 1 A 53 53 THR CB C 53 69.514 69.091 0.423 1
1 708 . 4 1 1 A 53 53 THR N N 53 113.907 113.137 0.770 1
1 709 . 4 1 1 A 54 54 ASP H H 54 8.430 8.952 -0.522 1
1 710 . 4 1 1 A 54 54 ASP HA H 54 4.810 5.240 -0.430 1
1 713 . 4 1 1 A 54 54 ASP C C 54 174.082 173.630 0.452 1
1 714 . 4 1 1 A 54 54 ASP CA C 54 52.578 51.463 1.115 1
1 715 . 4 1 1 A 54 54 ASP CB C 54 39.685 41.501 -1.816 1
1 716 . 4 1 1 A 54 54 ASP N N 54 123.174 126.906 -3.732 1
1 717 . 4 1 1 A 55 55 PRO HA H 55 4.561 4.484 0.077 1
1 724 . 4 1 1 A 55 55 PRO C C 55 177.127 176.761 0.366 1
1 725 . 4 1 1 A 55 55 PRO CA C 55 62.958 62.549 0.409 1
1 726 . 4 1 1 A 55 55 PRO CB C 55 32.013 32.360 -0.347 1
1 729 . 4 1 1 A 56 56 TRP H H 56 8.721 7.622 1.099 1
1 730 . 4 1 1 A 56 56 TRP HA H 56 4.351 4.934 -0.583 1
1 739 . 4 1 1 A 56 56 TRP C C 56 177.127 175.570 1.557 1
1 740 . 4 1 1 A 56 56 TRP CA C 56 57.796 56.345 1.451 1
1 741 . 4 1 1 A 56 56 TRP CB C 56 28.732 31.176 -2.444 1
1 747 . 4 1 1 A 56 56 TRP N N 56 124.713 120.317 4.396 1
1 749 . 4 1 1 A 57 57 SER H H 57 9.085 9.079 0.006 1
1 750 . 4 1 1 A 57 57 SER HA H 57 4.957 4.960 -0.003 1
1 753 . 4 1 1 A 57 57 SER C C 57 173.562 174.710 -1.148 1
1 754 . 4 1 1 A 57 57 SER CA C 57 55.852 56.249 -0.397 1
1 755 . 4 1 1 A 57 57 SER CB C 57 63.824 65.723 -1.899 1
1 756 . 4 1 1 A 57 57 SER N N 57 122.041 114.900 7.141 1
1 757 . 4 1 1 A 58 58 PRO HA H 58 4.444 4.336 0.108 1
1 764 . 4 1 1 A 58 58 PRO C C 58 179.777 178.773 1.004 1
1 765 . 4 1 1 A 58 58 PRO CA C 58 65.071 65.189 -0.118 1
1 766 . 4 1 1 A 58 58 PRO CB C 58 31.546 31.936 -0.390 1
1 769 . 4 1 1 A 59 59 GLU H H 59 8.788 8.447 0.341 1
1 770 . 4 1 1 A 59 59 GLU HA H 59 4.088 4.105 -0.017 1
1 775 . 4 1 1 A 59 59 GLU C C 59 179.656 179.390 0.266 1
1 776 . 4 1 1 A 59 59 GLU CA C 59 60.373 60.023 0.350 1
1 777 . 4 1 1 A 59 59 GLU CB C 59 28.505 29.038 -0.533 1
1 779 . 4 1 1 A 59 59 GLU N N 59 117.546 117.458 0.088 1
1 780 . 4 1 1 A 60 60 GLU H H 60 7.977 8.120 -0.143 1
1 781 . 4 1 1 A 60 60 GLU HA H 60 4.015 4.060 -0.045 1
1 786 . 4 1 1 A 60 60 GLU C C 60 178.440 178.765 -0.325 1
1 787 . 4 1 1 A 60 60 GLU CA C 60 59.913 59.134 0.779 1
1 788 . 4 1 1 A 60 60 GLU CB C 60 31.541 28.436 3.105 1
1 790 . 4 1 1 A 60 60 GLU N N 60 122.264 120.073 2.191 1
1 791 . 4 1 1 A 61 61 ASP H H 61 8.267 8.099 0.168 1
1 792 . 4 1 1 A 61 61 ASP HA H 61 4.654 4.490 0.164 1
1 795 . 4 1 1 A 61 61 ASP C C 61 179.469 178.709 0.760 1
1 796 . 4 1 1 A 61 61 ASP CA C 61 57.562 57.727 -0.165 1
1 797 . 4 1 1 A 61 61 ASP CB C 61 39.987 41.694 -1.707 1
1 798 . 4 1 1 A 61 61 ASP N N 61 120.543 120.050 0.493 1
1 799 . 4 1 1 A 62 62 MET H H 62 8.139 8.532 -0.393 1
1 800 . 4 1 1 A 62 62 MET HA H 62 4.284 4.230 0.054 1
1 805 . 4 1 1 A 62 62 MET C C 62 178.811 178.773 0.038 1
1 806 . 4 1 1 A 62 62 MET CA C 62 58.505 58.781 -0.276 1
1 807 . 4 1 1 A 62 62 MET CB C 62 32.251 32.955 -0.704 1
1 809 . 4 1 1 A 62 62 MET N N 62 119.343 118.115 1.228 1
1 810 . 4 1 1 A 63 63 LEU H H 63 7.959 8.160 -0.201 1
1 811 . 4 1 1 A 63 63 LEU HA H 63 4.212 4.008 0.204 1
1 821 . 4 1 1 A 63 63 LEU C C 63 177.642 179.277 -1.635 1
1 822 . 4 1 1 A 63 63 LEU CA C 63 57.562 57.473 0.089 1
1 823 . 4 1 1 A 63 63 LEU CB C 63 42.096 41.438 0.658 1
1 827 . 4 1 1 A 63 63 LEU N N 63 122.676 120.231 2.445 1
1 828 . 4 1 1 A 64 64 LEU H H 64 8.784 8.345 0.439 1
1 829 . 4 1 1 A 64 64 LEU HA H 64 4.119 3.982 0.137 1
1 839 . 4 1 1 A 64 64 LEU C C 64 177.515 178.204 -0.689 1
1 840 . 4 1 1 A 64 64 LEU CA C 64 58.738 58.017 0.721 1
1 841 . 4 1 1 A 64 64 LEU CB C 64 41.395 41.611 -0.216 1
1 845 . 4 1 1 A 64 64 LEU N N 64 120.877 118.994 1.883 1
1 846 . 4 1 1 A 65 65 ASP H H 65 8.085 8.444 -0.359 1
1 847 . 4 1 1 A 65 65 ASP HA H 65 4.630 4.369 0.261 1
1 850 . 4 1 1 A 65 65 ASP C C 65 179.391 179.313 0.078 1
1 851 . 4 1 1 A 65 65 ASP CA C 65 57.566 57.500 0.066 1
1 852 . 4 1 1 A 65 65 ASP CB C 65 41.626 40.568 1.058 1
1 853 . 4 1 1 A 65 65 ASP N N 65 118.583 117.615 0.968 1
1 854 . 4 1 1 A 66 66 GLN H H 66 8.336 7.873 0.463 1
1 855 . 4 1 1 A 66 66 GLN HA H 66 4.050 4.191 -0.141 1
1 862 . 4 1 1 A 66 66 GLN C C 66 179.565 178.527 1.038 1
1 863 . 4 1 1 A 66 66 GLN CA C 66 58.739 58.375 0.364 1
1 864 . 4 1 1 A 66 66 GLN CB C 66 28.502 28.580 -0.078 1
1 866 . 4 1 1 A 66 66 GLN N N 66 118.725 120.820 -2.095 1
1 868 . 4 1 1 A 67 67 LYS H H 67 9.126 7.953 1.173 1
1 869 . 4 1 1 A 67 67 LYS HA H 67 4.142 4.101 0.041 1
1 878 . 4 1 1 A 67 67 LYS C C 67 178.671 178.731 -0.060 1
1 879 . 4 1 1 A 67 67 LYS CA C 67 56.156 59.167 -3.011 1
1 880 . 4 1 1 A 67 67 LYS CB C 67 31.550 32.347 -0.797 1
1 884 . 4 1 1 A 67 67 LYS N N 67 117.220 119.583 -2.363 1
1 885 . 4 1 1 A 68 68 TYR H H 68 9.361 8.701 0.660 1
1 886 . 4 1 1 A 68 68 TYR HA H 68 3.819 4.055 -0.236 1
1 893 . 4 1 1 A 68 68 TYR C C 68 179.235 177.120 2.115 1
1 894 . 4 1 1 A 68 68 TYR CA C 68 61.547 61.938 -0.391 1
1 895 . 4 1 1 A 68 68 TYR CB C 68 37.881 38.499 -0.618 1
1 900 . 4 1 1 A 68 68 TYR N N 68 123.884 120.747 3.137 1
1 901 . 4 1 1 A 69 69 ALA H H 69 7.810 7.996 -0.186 1
1 902 . 4 1 1 A 69 69 ALA HA H 69 3.980 4.056 -0.076 1
1 906 . 4 1 1 A 69 69 ALA C C 69 178.673 179.153 -0.480 1
1 907 . 4 1 1 A 69 69 ALA CA C 69 54.755 55.229 -0.474 1
1 908 . 4 1 1 A 69 69 ALA CB C 69 17.253 18.488 -1.235 1
1 909 . 4 1 1 A 69 69 ALA N N 69 121.733 121.552 0.181 1
1 910 . 4 1 1 A 70 70 GLU H H 70 7.091 7.772 -0.681 1
1 911 . 4 1 1 A 70 70 GLU HA H 70 3.848 4.090 -0.242 1
1 916 . 4 1 1 A 70 70 GLU C C 70 178.018 177.736 0.282 1
1 917 . 4 1 1 A 70 70 GLU CA C 70 58.566 58.292 0.274 1
1 918 . 4 1 1 A 70 70 GLU CB C 70 30.609 30.300 0.309 1
1 920 . 4 1 1 A 70 70 GLU N N 70 115.850 117.159 -1.309 1
1 921 . 4 1 1 A 71 71 TYR H H 71 8.270 8.410 -0.140 1
1 922 . 4 1 1 A 71 71 TYR HA H 71 4.537 4.281 0.256 1
1 929 . 4 1 1 A 71 71 TYR C C 71 177.174 176.195 0.979 1
1 930 . 4 1 1 A 71 71 TYR CA C 71 57.796 59.716 -1.920 1
1 931 . 4 1 1 A 71 71 TYR CB C 71 40.219 38.662 1.557 1
1 936 . 4 1 1 A 71 71 TYR N N 71 114.509 116.843 -2.334 1
1 937 . 4 1 1 A 72 72 GLY H H 72 8.417 7.830 0.587 1
1 938 . 4 1 1 A 72 72 GLY HA2 H 72 3.720 2.602 1.118 1
1 939 . 4 1 1 A 72 72 GLY HA3 H 72 2.255 3.562 -1.307 1
1 940 . 4 1 1 A 72 72 GLY C C 72 172.111 173.533 -1.422 1
1 941 . 4 1 1 A 72 72 GLY CA C 72 43.439 43.623 -0.184 1
1 942 . 4 1 1 A 72 72 GLY N N 72 111.509 106.499 5.010 1
1 943 . 4 1 1 A 73 73 PRO HA H 73 2.587 2.954 -0.367 1
1 950 . 4 1 1 A 73 73 PRO C C 73 175.393 174.956 0.437 1
1 951 . 4 1 1 A 73 73 PRO CA C 73 62.018 62.736 -0.718 1
1 952 . 4 1 1 A 73 73 PRO CB C 73 28.033 31.608 -3.575 1
1 955 . 4 1 1 A 74 74 LYS H H 74 8.065 7.633 0.432 1
1 956 . 4 1 1 A 74 74 LYS HA H 74 4.259 4.252 0.007 1
1 965 . 4 1 1 A 74 74 LYS C C 74 177.220 176.184 1.036 1
1 966 . 4 1 1 A 74 74 LYS CA C 74 52.641 54.528 -1.887 1
1 967 . 4 1 1 A 74 74 LYS CB C 74 30.145 30.147 -0.002 1
1 971 . 4 1 1 A 74 74 LYS N N 74 125.996 119.550 6.446 1
1 972 . 4 1 1 A 75 75 TRP H H 75 6.735 6.878 -0.143 1
1 973 . 4 1 1 A 75 75 TRP HA H 75 4.305 4.380 -0.075 1
1 982 . 4 1 1 A 75 75 TRP C C 75 177.174 178.319 -1.145 1
1 983 . 4 1 1 A 75 75 TRP CA C 75 58.969 60.063 -1.094 1
1 984 . 4 1 1 A 75 75 TRP CB C 75 29.668 28.315 1.353 1
1 990 . 4 1 1 A 75 75 TRP N N 75 122.056 122.040 0.016 1
1 992 . 4 1 1 A 76 76 ASN H H 76 8.732 8.147 0.585 1
1 993 . 4 1 1 A 76 76 ASN HA H 76 4.606 4.584 0.022 1
1 998 . 4 1 1 A 76 76 ASN C C 76 177.830 177.802 0.028 1
1 999 . 4 1 1 A 76 76 ASN CA C 76 55.925 56.307 -0.382 1
1 1000 . 4 1 1 A 76 76 ASN CB C 76 37.876 38.248 -0.372 1
1 1001 . 4 1 1 A 76 76 ASN N N 76 114.266 119.048 -4.782 1
1 1003 . 4 1 1 A 77 77 LYS H H 77 7.401 7.874 -0.473 1
1 1004 . 4 1 1 A 77 77 LYS HA H 77 3.979 3.978 0.001 1
1 1013 . 4 1 1 A 77 77 LYS C C 77 178.859 178.864 -0.005 1
1 1014 . 4 1 1 A 77 77 LYS CA C 77 57.800 58.508 -0.708 1
1 1015 . 4 1 1 A 77 77 LYS CB C 77 31.545 32.566 -1.021 1
1 1019 . 4 1 1 A 77 77 LYS N N 77 120.857 120.294 0.563 1
1 1020 . 4 1 1 A 78 78 ILE H H 78 7.754 7.788 -0.034 1
1 1021 . 4 1 1 A 78 78 ILE HA H 78 3.679 3.650 0.029 1
1 1031 . 4 1 1 A 78 78 ILE C C 78 178.202 177.791 0.411 1
1 1032 . 4 1 1 A 78 78 ILE CA C 78 65.997 65.448 0.549 1
1 1033 . 4 1 1 A 78 78 ILE CB C 78 38.343 37.902 0.441 1
1 1037 . 4 1 1 A 78 78 ILE N N 78 118.290 121.482 -3.192 1
1 1038 . 4 1 1 A 79 79 SER H H 79 8.386 8.059 0.327 1
1 1039 . 4 1 1 A 79 79 SER HA H 79 4.049 4.284 -0.235 1
1 1042 . 4 1 1 A 79 79 SER C C 79 175.627 176.000 -0.373 1
1 1043 . 4 1 1 A 79 79 SER CA C 79 61.084 62.403 -1.319 1
1 1044 . 4 1 1 A 79 79 SER CB C 79 62.720 63.028 -0.308 1
1 1045 . 4 1 1 A 79 79 SER N N 79 114.363 116.377 -2.014 1
1 1046 . 4 1 1 A 80 80 LYS H H 80 7.017 7.833 -0.816 1
1 1047 . 4 1 1 A 80 80 LYS HA H 80 4.005 4.128 -0.123 1
1 1056 . 4 1 1 A 80 80 LYS C C 80 177.361 177.794 -0.433 1
1 1057 . 4 1 1 A 80 80 LYS CA C 80 57.098 57.739 -0.641 1
1 1058 . 4 1 1 A 80 80 LYS CB C 80 31.083 32.366 -1.283 1
1 1062 . 4 1 1 A 80 80 LYS N N 80 118.534 120.299 -1.765 1
1 1063 . 4 1 1 A 81 81 PHE H H 81 7.932 8.270 -0.338 1
1 1064 . 4 1 1 A 81 81 PHE HA H 81 4.467 4.352 0.115 1
1 1071 . 4 1 1 A 81 81 PHE C C 81 174.969 177.251 -2.282 1
1 1072 . 4 1 1 A 81 81 PHE CA C 81 58.500 60.736 -2.236 1
1 1073 . 4 1 1 A 81 81 PHE CB C 81 39.516 38.929 0.587 1
1 1078 . 4 1 1 A 81 81 PHE N N 81 114.880 117.645 -2.765 1
1 1079 . 4 1 1 A 82 82 LEU H H 82 7.487 7.275 0.212 1
1 1080 . 4 1 1 A 82 82 LEU HA H 82 4.666 4.342 0.324 1
1 1090 . 4 1 1 A 82 82 LEU C C 82 175.107 177.405 -2.298 1
1 1091 . 4 1 1 A 82 82 LEU CA C 82 52.875 56.505 -3.630 1
1 1092 . 4 1 1 A 82 82 LEU CB C 82 42.802 42.298 0.504 1
1 1096 . 4 1 1 A 82 82 LEU N N 82 122.945 118.659 4.286 1
1 1097 . 4 1 1 A 83 83 LYS H H 83 8.256 8.080 0.176 1
1 1098 . 4 1 1 A 83 83 LYS HA H 83 4.120 3.965 0.155 1
1 1107 . 4 1 1 A 83 83 LYS C C 83 176.236 176.616 -0.380 1
1 1108 . 4 1 1 A 83 83 LYS CA C 83 56.630 57.748 -1.118 1
1 1109 . 4 1 1 A 83 83 LYS CB C 83 31.786 32.146 -0.360 1
1 1113 . 4 1 1 A 83 83 LYS N N 83 118.856 119.236 -0.380 1
1 1114 . 4 1 1 A 84 84 ASN H H 84 8.684 8.246 0.438 1
1 1115 . 4 1 1 A 84 84 ASN HA H 84 4.304 4.875 -0.571 1
1 1120 . 4 1 1 A 84 84 ASN C C 84 173.846 174.623 -0.777 1
1 1121 . 4 1 1 A 84 84 ASN CA C 84 53.816 53.219 0.597 1
1 1122 . 4 1 1 A 84 84 ASN CB C 84 37.176 40.404 -3.228 1
1 1123 . 4 1 1 A 84 84 ASN N N 84 116.099 116.299 -0.200 1
1 1125 . 4 1 1 A 85 85 ARG H H 85 7.665 7.707 -0.042 1
1 1126 . 4 1 1 A 85 85 ARG HA H 85 4.675 4.828 -0.153 1
1 1132 . 4 1 1 A 85 85 ARG C C 85 175.529 173.844 1.685 1
1 1133 . 4 1 1 A 85 85 ARG CA C 85 53.112 54.414 -1.302 1
1 1134 . 4 1 1 A 85 85 ARG CB C 85 31.783 34.515 -2.732 1
1 1137 . 4 1 1 A 85 85 ARG N N 85 116.162 118.042 -1.880 1
1 1139 . 4 1 1 A 86 86 SER H H 86 8.864 8.715 0.149 1
1 1140 . 4 1 1 A 86 86 SER HA H 86 4.488 4.848 -0.360 1
1 1143 . 4 1 1 A 86 86 SER C C 86 174.407 175.509 -1.102 1
1 1144 . 4 1 1 A 86 86 SER CA C 86 57.093 55.786 1.307 1
1 1145 . 4 1 1 A 86 86 SER CB C 86 64.840 65.711 -0.871 1
1 1146 . 4 1 1 A 86 86 SER N N 86 119.204 114.880 4.324 1
1 1147 . 4 1 1 A 87 87 ASP H H 87 8.784 8.720 0.064 1
1 1148 . 4 1 1 A 87 87 ASP HA H 87 4.095 4.351 -0.256 1
1 1151 . 4 1 1 A 87 87 ASP C C 87 178.111 178.380 -0.269 1
1 1152 . 4 1 1 A 87 87 ASP CA C 87 57.801 57.008 0.793 1
1 1153 . 4 1 1 A 87 87 ASP CB C 87 39.056 39.700 -0.644 1
1 1154 . 4 1 1 A 87 87 ASP N N 87 121.415 124.774 -3.359 1
1 1155 . 4 1 1 A 88 88 ASN H H 88 8.491 7.912 0.579 1
1 1156 . 4 1 1 A 88 88 ASN HA H 88 4.166 4.397 -0.231 1
1 1161 . 4 1 1 A 88 88 ASN C C 88 176.842 177.436 -0.594 1
1 1162 . 4 1 1 A 88 88 ASN CA C 88 55.458 56.233 -0.775 1
1 1163 . 4 1 1 A 88 88 ASN CB C 88 38.103 39.157 -1.054 1
1 1164 . 4 1 1 A 88 88 ASN N N 88 115.811 118.031 -2.220 1
1 1166 . 4 1 1 A 89 89 ASN H H 89 7.959 7.783 0.176 1
1 1167 . 4 1 1 A 89 89 ASN HA H 89 4.422 4.512 -0.090 1
1 1172 . 4 1 1 A 89 89 ASN C C 89 178.159 177.852 0.307 1
1 1173 . 4 1 1 A 89 89 ASN CA C 89 56.632 55.712 0.920 1
1 1174 . 4 1 1 A 89 89 ASN CB C 89 39.749 38.536 1.213 1
1 1175 . 4 1 1 A 89 89 ASN N N 89 120.679 117.473 3.206 1
1 1177 . 4 1 1 A 90 90 ILE H H 90 8.373 8.195 0.178 1
1 1178 . 4 1 1 A 90 90 ILE HA H 90 3.840 4.009 -0.169 1
1 1188 . 4 1 1 A 90 90 ILE C C 90 176.191 177.606 -1.415 1
1 1189 . 4 1 1 A 90 90 ILE CA C 90 65.298 64.820 0.478 1
1 1190 . 4 1 1 A 90 90 ILE CB C 90 38.109 37.377 0.732 1
1 1194 . 4 1 1 A 90 90 ILE N N 90 120.840 119.486 1.354 1
1 1195 . 4 1 1 A 91 91 ARG H H 91 7.749 8.501 -0.752 1
1 1196 . 4 1 1 A 91 91 ARG HA H 91 2.077 3.162 -1.085 1
1 1203 . 4 1 1 A 91 91 ARG C C 91 178.063 178.216 -0.153 1
1 1204 . 4 1 1 A 91 91 ARG CA C 91 58.500 58.969 -0.469 1
1 1205 . 4 1 1 A 91 91 ARG CB C 91 28.969 29.841 -0.872 1
1 1208 . 4 1 1 A 91 91 ARG N N 91 120.230 120.285 -0.055 1
1 1209 . 4 1 1 A 92 92 ASN H H 92 7.959 7.890 0.069 1
1 1210 . 4 1 1 A 92 92 ASN HA H 92 4.167 4.436 -0.269 1
1 1215 . 4 1 1 A 92 92 ASN C C 92 177.689 177.457 0.232 1
1 1216 . 4 1 1 A 92 92 ASN CA C 92 55.640 56.105 -0.465 1
1 1217 . 4 1 1 A 92 92 ASN CB C 92 37.644 38.755 -1.111 1
1 1218 . 4 1 1 A 92 92 ASN N N 92 115.405 117.847 -2.442 1
1 1220 . 4 1 1 A 93 93 ARG H H 93 7.872 8.343 -0.471 1
1 1221 . 4 1 1 A 93 93 ARG HA H 93 3.610 3.887 -0.277 1
1 1229 . 4 1 1 A 93 93 ARG C C 93 177.737 178.704 -0.967 1
1 1230 . 4 1 1 A 93 93 ARG CA C 93 57.263 58.850 -1.587 1
1 1231 . 4 1 1 A 93 93 ARG CB C 93 29.141 29.425 -0.284 1
1 1234 . 4 1 1 A 93 93 ARG N N 93 122.360 119.995 2.365 1
1 1236 . 4 1 1 A 94 94 TRP H H 94 8.411 8.787 -0.376 1
1 1237 . 4 1 1 A 94 94 TRP HA H 94 3.818 4.426 -0.608 1
1 1241 . 4 1 1 A 94 94 TRP N N 94 119.510 122.086 -2.576 1
1 1243 . 4 1 1 A 95 95 MET HA H 95 3.725 4.012 -0.287 1
1 1246 . 4 1 1 A 95 95 MET C C 95 178.580 178.316 0.264 1
1 1247 . 4 1 1 A 95 95 MET CA C 95 57.807 57.324 0.483 1
1 1248 . 4 1 1 A 95 95 MET CB C 95 32.023 31.467 0.556 1
1 1249 . 4 1 1 A 96 96 MET H H 96 7.580 7.667 -0.087 1
1 1250 . 4 1 1 A 96 96 MET HA H 96 3.980 4.216 -0.236 1
1 1255 . 4 1 1 A 96 96 MET C C 96 178.344 177.791 0.553 1
1 1256 . 4 1 1 A 96 96 MET CA C 96 58.033 57.867 0.166 1
1 1257 . 4 1 1 A 96 96 MET CB C 96 31.783 32.398 -0.615 1
1 1259 . 4 1 1 A 96 96 MET N N 96 118.340 119.203 -0.863 1
1 1260 . 4 1 1 A 97 97 ILE H H 97 7.884 7.557 0.327 1
1 1261 . 4 1 1 A 97 97 ILE HA H 97 3.583 3.889 -0.306 1
1 1271 . 4 1 1 A 97 97 ILE C C 97 178.154 178.160 -0.006 1
1 1272 . 4 1 1 A 97 97 ILE CA C 97 63.656 63.443 0.213 1
1 1273 . 4 1 1 A 97 97 ILE CB C 97 37.637 37.396 0.241 1
1 1277 . 4 1 1 A 97 97 ILE N N 97 120.158 116.054 4.104 1
1 1278 . 4 1 1 A 98 98 ALA H H 98 8.064 8.440 -0.376 1
1 1279 . 4 1 1 A 98 98 ALA HA H 98 3.515 3.856 -0.341 1
1 1283 . 4 1 1 A 98 98 ALA C C 98 180.224 179.502 0.722 1
1 1284 . 4 1 1 A 98 98 ALA CA C 98 54.283 54.258 0.025 1
1 1285 . 4 1 1 A 98 98 ALA CB C 98 17.251 17.499 -0.248 1
1 1286 . 4 1 1 A 98 98 ALA N N 98 123.446 123.911 -0.465 1
1 1287 . 4 1 1 A 99 99 ARG H H 99 7.623 7.810 -0.187 1
1 1288 . 4 1 1 A 99 99 ARG HA H 99 3.934 3.972 -0.038 1
1 1295 . 4 1 1 A 99 99 ARG C C 99 177.923 178.571 -0.648 1
1 1296 . 4 1 1 A 99 99 ARG CA C 99 57.968 58.474 -0.506 1
1 1297 . 4 1 1 A 99 99 ARG CB C 99 29.606 29.744 -0.138 1
1 1300 . 4 1 1 A 99 99 ARG N N 99 117.538 119.065 -1.527 1
1 1301 . 4 1 1 A 100 100 HIS H H 100 7.797 7.949 -0.152 1
1 1302 . 4 1 1 A 100 100 HIS HA H 100 4.409 4.189 0.220 1
1 1307 . 4 1 1 A 100 100 HIS C C 100 176.575 176.919 -0.344 1
1 1308 . 4 1 1 A 100 100 HIS CA C 100 57.109 58.788 -1.679 1
1 1309 . 4 1 1 A 100 100 HIS CB C 100 29.204 29.937 -0.733 1
1 1312 . 4 1 1 A 100 100 HIS N N 100 118.311 119.222 -0.911 1
1 1313 . 4 1 1 A 101 101 ARG H H 101 8.057 7.273 0.784 1
1 1314 . 4 1 1 A 101 101 ARG HA H 101 4.062 3.929 0.133 1
1 1321 . 4 1 1 A 101 101 ARG C C 101 177.220 178.895 -1.675 1
1 1322 . 4 1 1 A 101 101 ARG CA C 101 57.556 58.209 -0.653 1
1 1323 . 4 1 1 A 101 101 ARG CB C 101 30.157 30.044 0.113 1
1 1326 . 4 1 1 A 101 101 ARG N N 101 119.935 118.244 1.691 1
1 1327 . 4 1 1 A 102 102 ALA H H 102 7.917 7.815 0.102 1
1 1328 . 4 1 1 A 102 102 ALA HA H 102 4.167 4.013 0.154 1
1 1332 . 4 1 1 A 102 102 ALA C C 102 178.532 179.134 -0.602 1
1 1333 . 4 1 1 A 102 102 ALA CA C 102 53.103 54.631 -1.528 1
1 1334 . 4 1 1 A 102 102 ALA CB C 102 18.447 18.078 0.369 1
1 1335 . 4 1 1 A 102 102 ALA N N 102 122.678 121.591 1.087 1
1 1336 . 4 1 1 A 103 103 LYS H H 103 7.884 7.648 0.236 1
1 1337 . 4 1 1 A 103 103 LYS HA H 103 4.121 4.297 -0.176 1
1 1346 . 4 1 1 A 103 103 LYS C C 103 177.080 178.355 -1.275 1
1 1347 . 4 1 1 A 103 103 LYS CA C 103 56.856 58.091 -1.235 1
1 1348 . 4 1 1 A 103 103 LYS CB C 103 32.480 33.304 -0.824 1
1 1352 . 4 1 1 A 103 103 LYS N N 103 118.773 116.893 1.880 1
1 1353 . 4 1 1 A 104 104 HIS H H 104 8.118 7.569 0.549 1
1 1354 . 4 1 1 A 104 104 HIS HA H 104 4.560 4.478 0.082 1
1 1359 . 4 1 1 A 104 104 HIS C C 104 175.204 176.814 -1.610 1
1 1360 . 4 1 1 A 104 104 HIS CA C 104 55.932 57.603 -1.671 1
1 1361 . 4 1 1 A 104 104 HIS CB C 104 29.448 28.527 0.921 1
1 1364 . 4 1 1 A 104 104 HIS N N 104 118.685 117.748 0.937 1
1 1365 . 4 1 1 A 105 105 GLN H H 105 8.233 8.232 0.001 1
1 1366 . 4 1 1 A 105 105 GLN HA H 105 4.218 4.043 0.175 1
1 1373 . 4 1 1 A 105 105 GLN C C 105 176.172 178.133 -1.961 1
1 1374 . 4 1 1 A 105 105 GLN CA C 105 56.130 58.777 -2.647 1
1 1375 . 4 1 1 A 105 105 GLN CB C 105 28.976 28.925 0.051 1
1 1377 . 4 1 1 A 105 105 GLN N N 105 121.104 122.149 -1.045 1
1 1379 . 4 1 1 A 106 106 LYS H H 106 8.346 8.042 0.304 1
1 1380 . 4 1 1 A 106 106 LYS HA H 106 4.239 4.080 0.159 1
1 1389 . 4 1 1 A 106 106 LYS C C 106 177.022 178.523 -1.501 1
1 1390 . 4 1 1 A 106 106 LYS CA C 106 56.647 58.138 -1.491 1
1 1391 . 4 1 1 A 106 106 LYS CB C 106 32.481 32.019 0.462 1
1 1395 . 4 1 1 A 106 106 LYS N N 106 122.274 118.676 3.598 1
1 16 . 5 1 1 A 2 2 VAL H H 2 8.319 8.556 -0.237 1
1 17 . 5 1 1 A 2 2 VAL HA H 2 4.096 4.097 -0.001 1
1 25 . 5 1 1 A 2 2 VAL C C 2 176.167 177.488 -1.321 1
1 26 . 5 1 1 A 2 2 VAL CA C 2 67.781 61.397 6.384 1
1 27 . 5 1 1 A 2 2 VAL CB C 2 32.484 31.596 0.888 1
1 30 . 5 1 1 A 2 2 VAL N N 2 122.596 123.119 -0.523 1
1 31 . 5 1 1 A 3 3 LYS H H 3 8.470 8.488 -0.018 1
1 32 . 5 1 1 A 3 3 LYS HA H 3 4.327 3.869 0.458 1
1 41 . 5 1 1 A 3 3 LYS C C 3 176.713 176.961 -0.248 1
1 42 . 5 1 1 A 3 3 LYS CA C 3 56.391 59.761 -3.370 1
1 43 . 5 1 1 A 3 3 LYS CB C 3 32.723 32.092 0.631 1
1 47 . 5 1 1 A 3 3 LYS N N 3 127.359 124.152 3.207 1
1 48 . 5 1 1 A 4 4 PHE H H 4 8.471 7.000 1.471 1
1 49 . 5 1 1 A 4 4 PHE HA H 4 4.491 4.606 -0.115 1
1 57 . 5 1 1 A 4 4 PHE C C 4 177.923 175.360 2.563 1
1 58 . 5 1 1 A 4 4 PHE CA C 4 57.566 56.032 1.534 1
1 59 . 5 1 1 A 4 4 PHE CB C 4 39.751 40.362 -0.611 1
1 65 . 5 1 1 A 4 4 PHE N N 4 125.570 116.714 8.856 1
1 66 . 5 1 1 A 5 5 THR H H 5 8.880 8.434 0.446 1
1 67 . 5 1 1 A 5 5 THR HA H 5 4.490 4.673 -0.183 1
1 72 . 5 1 1 A 5 5 THR C C 5 175.297 176.012 -0.715 1
1 73 . 5 1 1 A 5 5 THR CA C 5 60.140 60.632 -0.492 1
1 74 . 5 1 1 A 5 5 THR CB C 5 70.922 70.292 0.630 1
1 76 . 5 1 1 A 5 5 THR N N 5 114.601 115.129 -0.528 1
1 77 . 5 1 1 A 6 6 GLU H H 6 9.000 9.135 -0.135 1
1 78 . 5 1 1 A 6 6 GLU HA H 6 4.142 4.157 -0.015 1
1 83 . 5 1 1 A 6 6 GLU C C 6 179.326 178.530 0.796 1
1 84 . 5 1 1 A 6 6 GLU CA C 6 59.675 59.404 0.271 1
1 85 . 5 1 1 A 6 6 GLU CB C 6 29.203 29.230 -0.027 1
1 87 . 5 1 1 A 6 6 GLU N N 6 121.577 124.841 -3.264 1
1 88 . 5 1 1 A 7 7 GLU H H 7 8.658 8.256 0.402 1
1 89 . 5 1 1 A 7 7 GLU HA H 7 4.026 4.011 0.015 1
1 94 . 5 1 1 A 7 7 GLU C C 7 179.616 178.981 0.635 1
1 95 . 5 1 1 A 7 7 GLU CA C 7 59.683 59.461 0.222 1
1 96 . 5 1 1 A 7 7 GLU CB C 7 28.972 29.302 -0.330 1
1 98 . 5 1 1 A 7 7 GLU N N 7 118.231 119.739 -1.508 1
1 99 . 5 1 1 A 8 8 GLU H H 8 7.930 8.326 -0.396 1
1 100 . 5 1 1 A 8 8 GLU HA H 8 3.955 4.050 -0.095 1
1 105 . 5 1 1 A 8 8 GLU C C 8 178.395 178.098 0.297 1
1 106 . 5 1 1 A 8 8 GLU CA C 8 59.672 59.517 0.155 1
1 107 . 5 1 1 A 8 8 GLU CB C 8 31.318 29.149 2.169 1
1 109 . 5 1 1 A 8 8 GLU N N 8 121.169 119.933 1.236 1
1 110 . 5 1 1 A 9 9 ASP H H 9 8.507 8.049 0.458 1
1 111 . 5 1 1 A 9 9 ASP HA H 9 4.677 4.223 0.454 1
1 114 . 5 1 1 A 9 9 ASP C C 9 179.329 178.023 1.306 1
1 115 . 5 1 1 A 9 9 ASP CA C 9 57.562 56.902 0.660 1
1 116 . 5 1 1 A 9 9 ASP CB C 9 40.217 41.453 -1.236 1
1 117 . 5 1 1 A 9 9 ASP N N 9 121.164 120.148 1.016 1
1 118 . 5 1 1 A 10 10 LEU H H 10 8.042 7.604 0.438 1
1 119 . 5 1 1 A 10 10 LEU HA H 10 4.143 4.043 0.100 1
1 129 . 5 1 1 A 10 10 LEU C C 10 179.329 179.220 0.109 1
1 130 . 5 1 1 A 10 10 LEU CA C 10 57.796 57.337 0.459 1
1 131 . 5 1 1 A 10 10 LEU CB C 10 41.392 41.243 0.149 1
1 135 . 5 1 1 A 10 10 LEU N N 10 120.628 119.665 0.963 1
1 136 . 5 1 1 A 11 11 LYS H H 11 8.040 8.428 -0.388 1
1 137 . 5 1 1 A 11 11 LYS HA H 11 4.049 3.958 0.091 1
1 146 . 5 1 1 A 11 11 LYS C C 11 178.345 178.556 -0.211 1
1 147 . 5 1 1 A 11 11 LYS CA C 11 59.199 59.020 0.179 1
1 148 . 5 1 1 A 11 11 LYS CB C 11 32.488 32.246 0.242 1
1 152 . 5 1 1 A 11 11 LYS N N 11 121.016 120.619 0.397 1
1 153 . 5 1 1 A 12 12 LEU H H 12 8.865 7.968 0.897 1
1 154 . 5 1 1 A 12 12 LEU HA H 12 4.258 4.053 0.205 1
1 164 . 5 1 1 A 12 12 LEU C C 12 178.298 179.078 -0.780 1
1 165 . 5 1 1 A 12 12 LEU CA C 12 58.500 57.856 0.644 1
1 166 . 5 1 1 A 12 12 LEU CB C 12 41.389 41.257 0.132 1
1 169 . 5 1 1 A 12 12 LEU N N 12 120.138 119.987 0.151 1
1 170 . 5 1 1 A 13 13 GLN H H 13 8.400 7.749 0.651 1
1 171 . 5 1 1 A 13 13 GLN HA H 13 4.097 3.918 0.179 1
1 178 . 5 1 1 A 13 13 GLN C C 13 178.254 177.825 0.429 1
1 179 . 5 1 1 A 13 13 GLN CA C 13 59.693 59.242 0.451 1
1 180 . 5 1 1 A 13 13 GLN CB C 13 28.733 28.526 0.207 1
1 182 . 5 1 1 A 13 13 GLN N N 13 117.136 118.394 -1.258 1
1 184 . 5 1 1 A 14 14 GLN H H 14 8.175 7.459 0.716 1
1 185 . 5 1 1 A 14 14 GLN HA H 14 3.980 4.149 -0.169 1
1 192 . 5 1 1 A 14 14 GLN C C 14 179.518 178.511 1.007 1
1 193 . 5 1 1 A 14 14 GLN CA C 14 58.745 58.122 0.623 1
1 194 . 5 1 1 A 14 14 GLN CB C 14 28.034 28.977 -0.943 1
1 196 . 5 1 1 A 14 14 GLN N N 14 117.947 118.057 -0.110 1
1 198 . 5 1 1 A 15 15 LEU H H 15 8.721 8.342 0.379 1
1 199 . 5 1 1 A 15 15 LEU HA H 15 4.143 3.928 0.215 1
1 209 . 5 1 1 A 15 15 LEU C C 15 178.956 179.050 -0.094 1
1 210 . 5 1 1 A 15 15 LEU CA C 15 57.562 58.058 -0.496 1
1 211 . 5 1 1 A 15 15 LEU CB C 15 42.801 42.211 0.590 1
1 215 . 5 1 1 A 15 15 LEU N N 15 120.641 120.329 0.312 1
1 216 . 5 1 1 A 16 16 VAL H H 16 8.603 8.452 0.151 1
1 217 . 5 1 1 A 16 16 VAL HA H 16 3.230 3.378 -0.148 1
1 225 . 5 1 1 A 16 16 VAL C C 16 179.988 178.198 1.790 1
1 226 . 5 1 1 A 16 16 VAL CA C 16 65.733 67.004 -1.271 1
1 227 . 5 1 1 A 16 16 VAL CB C 16 30.609 31.470 -0.861 1
1 230 . 5 1 1 A 16 16 VAL N N 16 120.873 117.513 3.360 1
1 231 . 5 1 1 A 17 17 MET H H 17 8.058 8.227 -0.169 1
1 232 . 5 1 1 A 17 17 MET HA H 17 4.050 4.203 -0.153 1
1 237 . 5 1 1 A 17 17 MET C C 17 177.501 178.385 -0.884 1
1 238 . 5 1 1 A 17 17 MET CA C 17 58.270 58.074 0.196 1
1 239 . 5 1 1 A 17 17 MET CB C 17 31.784 32.216 -0.432 1
1 241 . 5 1 1 A 17 17 MET N N 17 119.240 119.961 -0.721 1
1 242 . 5 1 1 A 18 18 ARG H H 18 7.406 7.924 -0.518 1
1 243 . 5 1 1 A 18 18 ARG HA H 18 3.957 3.897 0.060 1
1 250 . 5 1 1 A 18 18 ARG C C 18 177.691 177.113 0.578 1
1 251 . 5 1 1 A 18 18 ARG CA C 18 58.301 58.270 0.031 1
1 252 . 5 1 1 A 18 18 ARG CB C 18 30.842 29.888 0.954 1
1 255 . 5 1 1 A 18 18 ARG N N 18 117.487 120.654 -3.167 1
1 256 . 5 1 1 A 19 19 TYR H H 19 8.571 7.366 1.205 1
1 257 . 5 1 1 A 19 19 TYR HA H 19 4.490 4.490 0.000 1
1 264 . 5 1 1 A 19 19 TYR C C 19 176.706 175.900 0.806 1
1 265 . 5 1 1 A 19 19 TYR CA C 19 58.739 57.680 1.059 1
1 266 . 5 1 1 A 19 19 TYR CB C 19 39.044 38.743 0.301 1
1 271 . 5 1 1 A 19 19 TYR N N 19 115.284 115.222 0.062 1
1 272 . 5 1 1 A 20 20 GLY H H 20 8.148 9.455 -1.307 1
1 273 . 5 1 1 A 20 20 GLY HA2 H 20 3.609 3.875 -0.266 1
1 274 . 5 1 1 A 20 20 GLY HA3 H 20 4.137 3.905 0.232 1
1 275 . 5 1 1 A 20 20 GLY C C 20 171.784 173.795 -2.011 1
1 276 . 5 1 1 A 20 20 GLY CA C 20 43.972 46.691 -2.719 1
1 277 . 5 1 1 A 20 20 GLY N N 20 110.830 108.442 2.388 1
1 278 . 5 1 1 A 21 21 ALA H H 21 7.886 7.531 0.355 1
1 279 . 5 1 1 A 21 21 ALA HA H 21 3.400 3.900 -0.500 1
1 283 . 5 1 1 A 21 21 ALA C C 21 176.002 176.745 -0.743 1
1 284 . 5 1 1 A 21 21 ALA CA C 21 49.825 50.957 -1.132 1
1 285 . 5 1 1 A 21 21 ALA CB C 21 17.960 18.220 -0.260 1
1 286 . 5 1 1 A 21 21 ALA N N 21 119.337 122.054 -2.717 1
1 287 . 5 1 1 A 22 22 LYS H H 22 7.424 7.636 -0.212 1
1 288 . 5 1 1 A 22 22 LYS HA H 22 4.258 4.525 -0.267 1
1 297 . 5 1 1 A 22 22 LYS C C 22 175.769 176.134 -0.365 1
1 298 . 5 1 1 A 22 22 LYS CA C 22 55.921 56.365 -0.444 1
1 299 . 5 1 1 A 22 22 LYS CB C 22 33.371 34.492 -1.121 1
1 303 . 5 1 1 A 22 22 LYS N N 22 115.793 114.269 1.524 1
1 304 . 5 1 1 A 23 23 ASP H H 23 7.724 7.459 0.265 1
1 305 . 5 1 1 A 23 23 ASP HA H 23 4.700 4.912 -0.212 1
1 308 . 5 1 1 A 23 23 ASP C C 23 176.142 176.232 -0.090 1
1 309 . 5 1 1 A 23 23 ASP CA C 23 51.704 52.979 -1.275 1
1 310 . 5 1 1 A 23 23 ASP CB C 23 39.514 40.803 -1.289 1
1 311 . 5 1 1 A 23 23 ASP N N 23 119.398 118.719 0.679 1
1 312 . 5 1 1 A 24 24 TRP H H 24 8.035 7.718 0.317 1
1 313 . 5 1 1 A 24 24 TRP HA H 24 4.258 4.280 -0.022 1
1 322 . 5 1 1 A 24 24 TRP C C 24 178.252 178.262 -0.010 1
1 323 . 5 1 1 A 24 24 TRP CA C 24 58.736 59.798 -1.062 1
1 324 . 5 1 1 A 24 24 TRP CB C 24 28.970 28.601 0.369 1
1 330 . 5 1 1 A 24 24 TRP N N 24 123.130 120.311 2.819 1
1 332 . 5 1 1 A 25 25 ILE H H 25 8.092 7.793 0.299 1
1 333 . 5 1 1 A 25 25 ILE HA H 25 3.724 3.819 -0.095 1
1 343 . 5 1 1 A 25 25 ILE C C 25 177.806 177.974 -0.168 1
1 344 . 5 1 1 A 25 25 ILE CA C 25 65.060 64.701 0.359 1
1 345 . 5 1 1 A 25 25 ILE CB C 25 36.234 37.321 -1.087 1
1 349 . 5 1 1 A 25 25 ILE N N 25 121.518 115.571 5.947 1
1 350 . 5 1 1 A 26 26 ARG H H 26 7.503 7.994 -0.491 1
1 351 . 5 1 1 A 26 26 ARG HA H 26 3.864 3.932 -0.068 1
1 358 . 5 1 1 A 26 26 ARG C C 26 178.303 178.214 0.089 1
1 359 . 5 1 1 A 26 26 ARG CA C 26 58.267 59.454 -1.187 1
1 360 . 5 1 1 A 26 26 ARG CB C 26 29.680 30.347 -0.667 1
1 363 . 5 1 1 A 26 26 ARG N N 26 122.119 120.706 1.413 1
1 364 . 5 1 1 A 27 27 ILE H H 27 7.340 7.688 -0.348 1
1 365 . 5 1 1 A 27 27 ILE HA H 27 3.450 3.679 -0.229 1
1 375 . 5 1 1 A 27 27 ILE C C 27 177.689 178.532 -0.843 1
1 376 . 5 1 1 A 27 27 ILE CA C 27 63.893 65.099 -1.206 1
1 377 . 5 1 1 A 27 27 ILE CB C 27 36.474 37.169 -0.695 1
1 381 . 5 1 1 A 27 27 ILE N N 27 115.446 120.588 -5.142 1
1 382 . 5 1 1 A 28 28 SER H H 28 8.203 8.092 0.111 1
1 383 . 5 1 1 A 28 28 SER HA H 28 4.144 4.317 -0.173 1
1 386 . 5 1 1 A 28 28 SER C C 28 177.220 177.323 -0.103 1
1 387 . 5 1 1 A 28 28 SER CA C 28 61.085 61.417 -0.332 1
1 388 . 5 1 1 A 28 28 SER CB C 28 63.421 63.128 0.293 1
1 389 . 5 1 1 A 28 28 SER N N 28 113.324 117.035 -3.711 1
1 390 . 5 1 1 A 29 29 GLN H H 29 8.177 7.382 0.795 1
1 391 . 5 1 1 A 29 29 GLN HA H 29 4.003 4.077 -0.074 1
1 398 . 5 1 1 A 29 29 GLN C C 29 178.910 179.142 -0.232 1
1 399 . 5 1 1 A 29 29 GLN CA C 29 58.503 58.879 -0.376 1
1 400 . 5 1 1 A 29 29 GLN CB C 29 27.796 28.256 -0.460 1
1 402 . 5 1 1 A 29 29 GLN N N 29 120.561 121.659 -1.098 1
1 404 . 5 1 1 A 30 30 LEU H H 30 7.494 7.464 0.030 1
1 405 . 5 1 1 A 30 30 LEU HA H 30 4.258 4.104 0.154 1
1 415 . 5 1 1 A 30 30 LEU C C 30 178.956 177.247 1.709 1
1 416 . 5 1 1 A 30 30 LEU CA C 30 55.675 57.430 -1.755 1
1 417 . 5 1 1 A 30 30 LEU CB C 30 42.559 41.971 0.588 1
1 421 . 5 1 1 A 30 30 LEU N N 30 118.106 119.889 -1.783 1
1 422 . 5 1 1 A 31 31 MET H H 31 8.399 7.199 1.200 1
1 423 . 5 1 1 A 31 31 MET HA H 31 4.329 4.919 -0.590 1
1 428 . 5 1 1 A 31 31 MET C C 31 179.515 176.089 3.426 1
1 429 . 5 1 1 A 31 31 MET CA C 31 55.921 54.381 1.540 1
1 430 . 5 1 1 A 31 31 MET CB C 31 31.310 32.488 -1.178 1
1 432 . 5 1 1 A 31 31 MET N N 31 120.008 116.011 3.997 1
1 433 . 5 1 1 A 32 32 ILE H H 32 8.177 8.061 0.116 1
1 434 . 5 1 1 A 32 32 ILE HA H 32 3.423 4.062 -0.639 1
1 444 . 5 1 1 A 32 32 ILE C C 32 179.473 177.229 2.244 1
1 445 . 5 1 1 A 32 32 ILE CA C 32 67.639 63.470 4.169 1
1 446 . 5 1 1 A 32 32 ILE CB C 32 35.767 37.654 -1.887 1
1 450 . 5 1 1 A 32 32 ILE N N 32 114.338 119.417 -5.079 1
1 451 . 5 1 1 A 33 33 THR H H 33 8.957 7.585 1.372 1
1 452 . 5 1 1 A 33 33 THR HA H 33 4.143 4.264 -0.121 1
1 457 . 5 1 1 A 33 33 THR C C 33 174.361 174.258 0.103 1
1 458 . 5 1 1 A 33 33 THR CA C 33 62.251 63.588 -1.337 1
1 459 . 5 1 1 A 33 33 THR CB C 33 68.581 69.080 -0.499 1
1 461 . 5 1 1 A 33 33 THR N N 33 110.164 112.349 -2.185 1
1 462 . 5 1 1 A 34 34 ARG H H 34 6.509 8.263 -1.754 1
1 463 . 5 1 1 A 34 34 ARG HA H 34 4.862 4.890 -0.028 1
1 470 . 5 1 1 A 34 34 ARG C C 34 174.922 175.310 -0.388 1
1 471 . 5 1 1 A 34 34 ARG CA C 34 51.939 54.132 -2.193 1
1 472 . 5 1 1 A 34 34 ARG CB C 34 36.061 33.856 2.205 1
1 475 . 5 1 1 A 34 34 ARG N N 34 116.058 120.432 -4.374 1
1 476 . 5 1 1 A 35 35 ASN H H 35 8.733 9.075 -0.342 1
1 477 . 5 1 1 A 35 35 ASN HA H 35 4.810 5.052 -0.242 1
1 482 . 5 1 1 A 35 35 ASN C C 35 173.986 175.575 -1.589 1
1 483 . 5 1 1 A 35 35 ASN CA C 35 52.107 51.678 0.429 1
1 484 . 5 1 1 A 35 35 ASN CB C 35 36.636 38.113 -1.477 1
1 485 . 5 1 1 A 35 35 ASN N N 35 122.840 121.210 1.630 1
1 487 . 5 1 1 A 36 36 PRO HA H 36 4.197 4.523 -0.326 1
1 494 . 5 1 1 A 36 36 PRO C C 36 178.019 178.687 -0.668 1
1 495 . 5 1 1 A 36 36 PRO CA C 36 67.412 65.709 1.703 1
1 496 . 5 1 1 A 36 36 PRO CB C 36 32.018 31.924 0.094 1
1 499 . 5 1 1 A 37 37 ARG H H 37 7.804 8.427 -0.623 1
1 500 . 5 1 1 A 37 37 ARG HA H 37 3.749 3.908 -0.159 1
1 507 . 5 1 1 A 37 37 ARG C C 37 178.300 178.977 -0.677 1
1 508 . 5 1 1 A 37 37 ARG CA C 37 59.202 58.774 0.428 1
1 509 . 5 1 1 A 37 37 ARG CB C 37 29.435 29.437 -0.002 1
1 512 . 5 1 1 A 37 37 ARG N N 37 117.759 117.614 0.145 1
1 513 . 5 1 1 A 38 38 GLN H H 38 8.682 8.602 0.080 1
1 514 . 5 1 1 A 38 38 GLN HA H 38 4.043 4.100 -0.057 1
1 521 . 5 1 1 A 38 38 GLN C C 38 180.078 178.796 1.282 1
1 522 . 5 1 1 A 38 38 GLN CA C 38 58.506 59.362 -0.856 1
1 523 . 5 1 1 A 38 38 GLN CB C 38 29.431 28.693 0.738 1
1 525 . 5 1 1 A 38 38 GLN N N 38 117.504 119.225 -1.721 1
1 527 . 5 1 1 A 39 39 CYS H H 39 8.095 7.976 0.119 1
1 528 . 5 1 1 A 39 39 CYS HA H 39 4.059 4.305 -0.246 1
1 531 . 5 1 1 A 39 39 CYS C C 39 173.893 176.852 -2.959 1
1 532 . 5 1 1 A 39 39 CYS CA C 39 64.592 62.883 1.709 1
1 533 . 5 1 1 A 39 39 CYS CB C 39 27.328 27.174 0.154 1
1 534 . 5 1 1 A 39 39 CYS N N 39 116.291 118.573 -2.282 1
1 535 . 5 1 1 A 40 40 ARG H H 40 7.589 7.599 -0.010 1
1 536 . 5 1 1 A 40 40 ARG HA H 40 1.821 2.349 -0.528 1
1 543 . 5 1 1 A 40 40 ARG C C 40 178.204 178.296 -0.092 1
1 544 . 5 1 1 A 40 40 ARG CA C 40 58.264 58.646 -0.382 1
1 545 . 5 1 1 A 40 40 ARG CB C 40 29.440 28.704 0.736 1
1 548 . 5 1 1 A 40 40 ARG N N 40 121.272 121.681 -0.409 1
1 549 . 5 1 1 A 41 41 GLU H H 41 8.352 8.447 -0.095 1
1 550 . 5 1 1 A 41 41 GLU HA H 41 3.817 3.936 -0.119 1
1 555 . 5 1 1 A 41 41 GLU C C 41 178.718 179.331 -0.613 1
1 556 . 5 1 1 A 41 41 GLU CA C 41 58.971 59.334 -0.363 1
1 557 . 5 1 1 A 41 41 GLU CB C 41 28.972 29.351 -0.379 1
1 559 . 5 1 1 A 41 41 GLU N N 41 117.034 117.238 -0.204 1
1 560 . 5 1 1 A 42 42 ARG H H 42 7.755 7.590 0.165 1
1 561 . 5 1 1 A 42 42 ARG HA H 42 3.931 4.266 -0.335 1
1 568 . 5 1 1 A 42 42 ARG C C 42 179.333 178.567 0.766 1
1 569 . 5 1 1 A 42 42 ARG CA C 42 57.261 58.656 -1.395 1
1 570 . 5 1 1 A 42 42 ARG CB C 42 29.610 30.257 -0.647 1
1 573 . 5 1 1 A 42 42 ARG N N 42 119.603 119.905 -0.302 1
1 574 . 5 1 1 A 43 43 TRP H H 43 8.199 8.384 -0.185 1
1 575 . 5 1 1 A 43 43 TRP HA H 43 4.292 4.374 -0.082 1
1 579 . 5 1 1 A 43 43 TRP C C 43 176.705 178.650 -1.945 1
1 580 . 5 1 1 A 43 43 TRP CA C 43 57.006 61.318 -4.312 1
1 581 . 5 1 1 A 43 43 TRP CB C 43 29.620 29.649 -0.029 1
1 582 . 5 1 1 A 43 43 TRP N N 43 119.355 122.156 -2.801 1
1 584 . 5 1 1 A 44 44 ASN H H 44 8.478 7.814 0.664 1
1 585 . 5 1 1 A 44 44 ASN HA H 44 4.177 4.347 -0.170 1
1 590 . 5 1 1 A 44 44 ASN C C 44 176.986 177.102 -0.116 1
1 591 . 5 1 1 A 44 44 ASN CA C 44 55.457 55.946 -0.489 1
1 592 . 5 1 1 A 44 44 ASN CB C 44 38.347 38.541 -0.194 1
1 593 . 5 1 1 A 44 44 ASN N N 44 113.530 118.594 -5.064 1
1 595 . 5 1 1 A 45 45 ASN H H 45 8.060 7.820 0.240 1
1 596 . 5 1 1 A 45 45 ASN HA H 45 4.630 4.717 -0.087 1
1 601 . 5 1 1 A 45 45 ASN C C 45 175.347 174.927 0.420 1
1 602 . 5 1 1 A 45 45 ASN CA C 45 53.350 53.612 -0.262 1
1 603 . 5 1 1 A 45 45 ASN CB C 45 39.047 39.218 -0.171 1
1 604 . 5 1 1 A 45 45 ASN N N 45 112.540 113.268 -0.728 1
1 606 . 5 1 1 A 46 46 TYR H H 46 7.443 7.974 -0.531 1
1 607 . 5 1 1 A 46 46 TYR HA H 46 4.447 4.893 -0.446 1
1 614 . 5 1 1 A 46 46 TYR C C 46 175.439 175.092 0.347 1
1 615 . 5 1 1 A 46 46 TYR CA C 46 60.074 59.209 0.865 1
1 616 . 5 1 1 A 46 46 TYR CB C 46 40.383 40.563 -0.180 1
1 621 . 5 1 1 A 46 46 TYR N N 46 117.403 118.953 -1.550 1
1 622 . 5 1 1 A 47 47 ILE HA H 47 3.786 4.757 -0.971 1
1 632 . 5 1 1 A 47 47 ILE C C 47 175.440 174.312 1.128 1
1 633 . 5 1 1 A 47 47 ILE CA C 47 62.240 59.365 2.875 1
1 634 . 5 1 1 A 47 47 ILE CB C 47 38.670 41.095 -2.425 1
1 638 . 5 1 1 A 48 48 ASN H H 48 7.922 8.929 -1.007 1
1 639 . 5 1 1 A 48 48 ASN HA H 48 3.795 4.812 -1.017 1
1 642 . 5 1 1 A 48 48 ASN C C 48 174.640 174.623 0.017 1
1 643 . 5 1 1 A 48 48 ASN N N 48 119.990 120.145 -0.155 1
1 645 . 5 1 1 A 49 49 PRO HA H 49 4.166 4.420 -0.254 1
1 652 . 5 1 1 A 49 49 PRO C C 49 177.408 176.707 0.701 1
1 653 . 5 1 1 A 49 49 PRO CA C 49 64.124 65.103 -0.979 1
1 654 . 5 1 1 A 49 49 PRO CB C 49 31.313 31.581 -0.268 1
1 657 . 5 1 1 A 50 50 ALA H H 50 7.595 7.776 -0.181 1
1 658 . 5 1 1 A 50 50 ALA HA H 50 4.128 4.557 -0.429 1
1 662 . 5 1 1 A 50 50 ALA C C 50 178.251 177.231 1.020 1
1 663 . 5 1 1 A 50 50 ALA CA C 50 52.642 51.774 0.868 1
1 664 . 5 1 1 A 50 50 ALA CB C 50 18.422 19.582 -1.160 1
1 665 . 5 1 1 A 50 50 ALA N N 50 120.036 118.594 1.442 1
1 666 . 5 1 1 A 51 51 LEU H H 51 7.586 8.082 -0.496 1
1 667 . 5 1 1 A 51 51 LEU HA H 51 4.119 4.164 -0.045 1
1 677 . 5 1 1 A 51 51 LEU C C 51 177.686 178.532 -0.846 1
1 678 . 5 1 1 A 51 51 LEU CA C 51 55.219 56.479 -1.260 1
1 679 . 5 1 1 A 51 51 LEU CB C 51 41.883 41.111 0.772 1
1 683 . 5 1 1 A 51 51 LEU N N 51 118.197 118.445 -0.248 1
1 684 . 5 1 1 A 52 52 ARG H H 52 8.013 7.960 0.053 1
1 685 . 5 1 1 A 52 52 ARG HA H 52 4.334 4.141 0.193 1
1 692 . 5 1 1 A 52 52 ARG C C 52 176.658 176.268 0.390 1
1 693 . 5 1 1 A 52 52 ARG CA C 52 55.923 58.721 -2.798 1
1 694 . 5 1 1 A 52 52 ARG CB C 52 31.086 30.265 0.821 1
1 697 . 5 1 1 A 52 52 ARG N N 52 119.899 119.455 0.444 1
1 698 . 5 1 1 A 53 53 THR H H 53 8.187 7.543 0.644 1
1 699 . 5 1 1 A 53 53 THR HA H 53 4.345 4.529 -0.184 1
1 704 . 5 1 1 A 53 53 THR C C 53 173.892 172.387 1.505 1
1 705 . 5 1 1 A 53 53 THR CA C 53 60.611 60.663 -0.052 1
1 706 . 5 1 1 A 53 53 THR CB C 53 69.514 69.099 0.415 1
1 708 . 5 1 1 A 53 53 THR N N 53 113.907 113.105 0.802 1
1 709 . 5 1 1 A 54 54 ASP H H 54 8.430 8.093 0.337 1
1 710 . 5 1 1 A 54 54 ASP HA H 54 4.810 5.210 -0.400 1
1 713 . 5 1 1 A 54 54 ASP C C 54 174.082 174.063 0.019 1
1 714 . 5 1 1 A 54 54 ASP CA C 54 52.578 51.298 1.280 1
1 715 . 5 1 1 A 54 54 ASP CB C 54 39.685 41.632 -1.947 1
1 716 . 5 1 1 A 54 54 ASP N N 54 123.174 126.320 -3.146 1
1 717 . 5 1 1 A 55 55 PRO HA H 55 4.561 4.673 -0.112 1
1 724 . 5 1 1 A 55 55 PRO C C 55 177.127 176.773 0.354 1
1 725 . 5 1 1 A 55 55 PRO CA C 55 62.958 62.401 0.557 1
1 726 . 5 1 1 A 55 55 PRO CB C 55 32.013 32.186 -0.173 1
1 729 . 5 1 1 A 56 56 TRP H H 56 8.721 7.809 0.912 1
1 730 . 5 1 1 A 56 56 TRP HA H 56 4.351 4.937 -0.586 1
1 739 . 5 1 1 A 56 56 TRP C C 56 177.127 175.203 1.924 1
1 740 . 5 1 1 A 56 56 TRP CA C 56 57.796 56.414 1.382 1
1 741 . 5 1 1 A 56 56 TRP CB C 56 28.732 30.792 -2.060 1
1 747 . 5 1 1 A 56 56 TRP N N 56 124.713 120.242 4.471 1
1 749 . 5 1 1 A 57 57 SER H H 57 9.085 8.883 0.202 1
1 750 . 5 1 1 A 57 57 SER HA H 57 4.957 4.726 0.231 1
1 753 . 5 1 1 A 57 57 SER C C 57 173.562 174.366 -0.804 1
1 754 . 5 1 1 A 57 57 SER CA C 57 55.852 55.986 -0.134 1
1 755 . 5 1 1 A 57 57 SER CB C 57 63.824 66.008 -2.184 1
1 756 . 5 1 1 A 57 57 SER N N 57 122.041 112.385 9.656 1
1 757 . 5 1 1 A 58 58 PRO HA H 58 4.444 4.311 0.133 1
1 764 . 5 1 1 A 58 58 PRO C C 58 179.777 178.734 1.043 1
1 765 . 5 1 1 A 58 58 PRO CA C 58 65.071 65.139 -0.068 1
1 766 . 5 1 1 A 58 58 PRO CB C 58 31.546 31.954 -0.408 1
1 769 . 5 1 1 A 59 59 GLU H H 59 8.788 8.239 0.549 1
1 770 . 5 1 1 A 59 59 GLU HA H 59 4.088 4.100 -0.012 1
1 775 . 5 1 1 A 59 59 GLU C C 59 179.656 179.010 0.646 1
1 776 . 5 1 1 A 59 59 GLU CA C 59 60.373 59.907 0.466 1
1 777 . 5 1 1 A 59 59 GLU CB C 59 28.505 29.128 -0.623 1
1 779 . 5 1 1 A 59 59 GLU N N 59 117.546 117.208 0.338 1
1 780 . 5 1 1 A 60 60 GLU H H 60 7.977 8.262 -0.285 1
1 781 . 5 1 1 A 60 60 GLU HA H 60 4.015 4.105 -0.090 1
1 786 . 5 1 1 A 60 60 GLU C C 60 178.440 178.885 -0.445 1
1 787 . 5 1 1 A 60 60 GLU CA C 60 59.913 59.304 0.609 1
1 788 . 5 1 1 A 60 60 GLU CB C 60 31.541 28.793 2.748 1
1 790 . 5 1 1 A 60 60 GLU N N 60 122.264 120.075 2.189 1
1 791 . 5 1 1 A 61 61 ASP H H 61 8.267 8.219 0.048 1
1 792 . 5 1 1 A 61 61 ASP HA H 61 4.654 4.479 0.175 1
1 795 . 5 1 1 A 61 61 ASP C C 61 179.469 178.597 0.872 1
1 796 . 5 1 1 A 61 61 ASP CA C 61 57.562 57.662 -0.100 1
1 797 . 5 1 1 A 61 61 ASP CB C 61 39.987 41.594 -1.607 1
1 798 . 5 1 1 A 61 61 ASP N N 61 120.543 120.301 0.242 1
1 799 . 5 1 1 A 62 62 MET H H 62 8.139 8.288 -0.149 1
1 800 . 5 1 1 A 62 62 MET HA H 62 4.284 4.337 -0.053 1
1 805 . 5 1 1 A 62 62 MET C C 62 178.811 178.375 0.436 1
1 806 . 5 1 1 A 62 62 MET CA C 62 58.505 58.829 -0.324 1
1 807 . 5 1 1 A 62 62 MET CB C 62 32.251 32.956 -0.705 1
1 809 . 5 1 1 A 62 62 MET N N 62 119.343 118.005 1.338 1
1 810 . 5 1 1 A 63 63 LEU H H 63 7.959 7.842 0.117 1
1 811 . 5 1 1 A 63 63 LEU HA H 63 4.212 4.083 0.129 1
1 821 . 5 1 1 A 63 63 LEU C C 63 177.642 178.418 -0.776 1
1 822 . 5 1 1 A 63 63 LEU CA C 63 57.562 57.296 0.266 1
1 823 . 5 1 1 A 63 63 LEU CB C 63 42.096 41.600 0.496 1
1 827 . 5 1 1 A 63 63 LEU N N 63 122.676 120.984 1.692 1
1 828 . 5 1 1 A 64 64 LEU H H 64 8.784 8.496 0.288 1
1 829 . 5 1 1 A 64 64 LEU HA H 64 4.119 4.063 0.056 1
1 839 . 5 1 1 A 64 64 LEU C C 64 177.515 178.456 -0.941 1
1 840 . 5 1 1 A 64 64 LEU CA C 64 58.738 57.920 0.818 1
1 841 . 5 1 1 A 64 64 LEU CB C 64 41.395 41.739 -0.344 1
1 845 . 5 1 1 A 64 64 LEU N N 64 120.877 120.412 0.465 1
1 846 . 5 1 1 A 65 65 ASP H H 65 8.085 8.942 -0.857 1
1 847 . 5 1 1 A 65 65 ASP HA H 65 4.630 4.397 0.233 1
1 850 . 5 1 1 A 65 65 ASP C C 65 179.391 179.314 0.077 1
1 851 . 5 1 1 A 65 65 ASP CA C 65 57.566 57.535 0.031 1
1 852 . 5 1 1 A 65 65 ASP CB C 65 41.626 40.642 0.984 1
1 853 . 5 1 1 A 65 65 ASP N N 65 118.583 117.776 0.807 1
1 854 . 5 1 1 A 66 66 GLN H H 66 8.336 7.934 0.402 1
1 855 . 5 1 1 A 66 66 GLN HA H 66 4.050 4.194 -0.144 1
1 862 . 5 1 1 A 66 66 GLN C C 66 179.565 178.530 1.035 1
1 863 . 5 1 1 A 66 66 GLN CA C 66 58.739 58.438 0.301 1
1 864 . 5 1 1 A 66 66 GLN CB C 66 28.502 28.496 0.006 1
1 866 . 5 1 1 A 66 66 GLN N N 66 118.725 121.175 -2.450 1
1 868 . 5 1 1 A 67 67 LYS H H 67 9.126 7.535 1.591 1
1 869 . 5 1 1 A 67 67 LYS HA H 67 4.142 4.144 -0.002 1
1 878 . 5 1 1 A 67 67 LYS C C 67 178.671 178.777 -0.106 1
1 879 . 5 1 1 A 67 67 LYS CA C 67 56.156 59.041 -2.885 1
1 880 . 5 1 1 A 67 67 LYS CB C 67 31.550 32.588 -1.038 1
1 884 . 5 1 1 A 67 67 LYS N N 67 117.220 119.771 -2.551 1
1 885 . 5 1 1 A 68 68 TYR H H 68 9.361 8.729 0.632 1
1 886 . 5 1 1 A 68 68 TYR HA H 68 3.819 4.063 -0.244 1
1 893 . 5 1 1 A 68 68 TYR C C 68 179.235 177.388 1.847 1
1 894 . 5 1 1 A 68 68 TYR CA C 68 61.547 61.938 -0.391 1
1 895 . 5 1 1 A 68 68 TYR CB C 68 37.881 38.715 -0.834 1
1 900 . 5 1 1 A 68 68 TYR N N 68 123.884 120.805 3.079 1
1 901 . 5 1 1 A 69 69 ALA H H 69 7.810 8.002 -0.192 1
1 902 . 5 1 1 A 69 69 ALA HA H 69 3.980 4.017 -0.037 1
1 906 . 5 1 1 A 69 69 ALA C C 69 178.673 179.126 -0.453 1
1 907 . 5 1 1 A 69 69 ALA CA C 69 54.755 55.217 -0.462 1
1 908 . 5 1 1 A 69 69 ALA CB C 69 17.253 18.538 -1.285 1
1 909 . 5 1 1 A 69 69 ALA N N 69 121.733 121.666 0.067 1
1 910 . 5 1 1 A 70 70 GLU H H 70 7.091 7.792 -0.701 1
1 911 . 5 1 1 A 70 70 GLU HA H 70 3.848 4.115 -0.267 1
1 916 . 5 1 1 A 70 70 GLU C C 70 178.018 177.877 0.141 1
1 917 . 5 1 1 A 70 70 GLU CA C 70 58.566 58.336 0.230 1
1 918 . 5 1 1 A 70 70 GLU CB C 70 30.609 30.430 0.179 1
1 920 . 5 1 1 A 70 70 GLU N N 70 115.850 117.365 -1.515 1
1 921 . 5 1 1 A 71 71 TYR H H 71 8.270 8.543 -0.273 1
1 922 . 5 1 1 A 71 71 TYR HA H 71 4.537 4.252 0.285 1
1 929 . 5 1 1 A 71 71 TYR C C 71 177.174 176.247 0.927 1
1 930 . 5 1 1 A 71 71 TYR CA C 71 57.796 60.215 -2.419 1
1 931 . 5 1 1 A 71 71 TYR CB C 71 40.219 38.759 1.460 1
1 936 . 5 1 1 A 71 71 TYR N N 71 114.509 117.250 -2.741 1
1 937 . 5 1 1 A 72 72 GLY H H 72 8.417 7.791 0.626 1
1 938 . 5 1 1 A 72 72 GLY HA2 H 72 3.720 2.990 0.730 1
1 939 . 5 1 1 A 72 72 GLY HA3 H 72 2.255 3.640 -1.385 1
1 940 . 5 1 1 A 72 72 GLY C C 72 172.111 174.275 -2.164 1
1 941 . 5 1 1 A 72 72 GLY CA C 72 43.439 43.900 -0.461 1
1 942 . 5 1 1 A 72 72 GLY N N 72 111.509 106.495 5.014 1
1 943 . 5 1 1 A 73 73 PRO HA H 73 2.587 2.704 -0.117 1
1 950 . 5 1 1 A 73 73 PRO C C 73 175.393 175.046 0.347 1
1 951 . 5 1 1 A 73 73 PRO CA C 73 62.018 62.844 -0.826 1
1 952 . 5 1 1 A 73 73 PRO CB C 73 28.033 30.977 -2.944 1
1 955 . 5 1 1 A 74 74 LYS H H 74 8.065 8.229 -0.164 1
1 956 . 5 1 1 A 74 74 LYS HA H 74 4.259 4.254 0.005 1
1 965 . 5 1 1 A 74 74 LYS C C 74 177.220 176.285 0.935 1
1 966 . 5 1 1 A 74 74 LYS CA C 74 52.641 54.587 -1.946 1
1 967 . 5 1 1 A 74 74 LYS CB C 74 30.145 30.134 0.011 1
1 971 . 5 1 1 A 74 74 LYS N N 74 125.996 118.278 7.718 1
1 972 . 5 1 1 A 75 75 TRP H H 75 6.735 6.887 -0.152 1
1 973 . 5 1 1 A 75 75 TRP HA H 75 4.305 4.377 -0.072 1
1 982 . 5 1 1 A 75 75 TRP C C 75 177.174 178.395 -1.221 1
1 983 . 5 1 1 A 75 75 TRP CA C 75 58.969 60.053 -1.084 1
1 984 . 5 1 1 A 75 75 TRP CB C 75 29.668 28.745 0.923 1
1 990 . 5 1 1 A 75 75 TRP N N 75 122.056 121.666 0.390 1
1 992 . 5 1 1 A 76 76 ASN H H 76 8.732 8.325 0.407 1
1 993 . 5 1 1 A 76 76 ASN HA H 76 4.606 4.458 0.148 1
1 998 . 5 1 1 A 76 76 ASN C C 76 177.830 176.880 0.950 1
1 999 . 5 1 1 A 76 76 ASN CA C 76 55.925 56.467 -0.542 1
1 1000 . 5 1 1 A 76 76 ASN CB C 76 37.876 38.582 -0.706 1
1 1001 . 5 1 1 A 76 76 ASN N N 76 114.266 119.884 -5.618 1
1 1003 . 5 1 1 A 77 77 LYS H H 77 7.401 8.034 -0.633 1
1 1004 . 5 1 1 A 77 77 LYS HA H 77 3.979 3.992 -0.013 1
1 1013 . 5 1 1 A 77 77 LYS C C 77 178.859 179.134 -0.275 1
1 1014 . 5 1 1 A 77 77 LYS CA C 77 57.800 58.455 -0.655 1
1 1015 . 5 1 1 A 77 77 LYS CB C 77 31.545 32.448 -0.903 1
1 1019 . 5 1 1 A 77 77 LYS N N 77 120.857 118.487 2.370 1
1 1020 . 5 1 1 A 78 78 ILE H H 78 7.754 7.671 0.083 1
1 1021 . 5 1 1 A 78 78 ILE HA H 78 3.679 3.666 0.013 1
1 1031 . 5 1 1 A 78 78 ILE C C 78 178.202 178.062 0.140 1
1 1032 . 5 1 1 A 78 78 ILE CA C 78 65.997 65.359 0.638 1
1 1033 . 5 1 1 A 78 78 ILE CB C 78 38.343 38.112 0.231 1
1 1037 . 5 1 1 A 78 78 ILE N N 78 118.290 121.226 -2.936 1
1 1038 . 5 1 1 A 79 79 SER H H 79 8.386 8.424 -0.038 1
1 1039 . 5 1 1 A 79 79 SER HA H 79 4.049 4.139 -0.090 1
1 1042 . 5 1 1 A 79 79 SER C C 79 175.627 176.118 -0.491 1
1 1043 . 5 1 1 A 79 79 SER CA C 79 61.084 61.119 -0.035 1
1 1044 . 5 1 1 A 79 79 SER CB C 79 62.720 63.077 -0.357 1
1 1045 . 5 1 1 A 79 79 SER N N 79 114.363 115.593 -1.230 1
1 1046 . 5 1 1 A 80 80 LYS H H 80 7.017 7.977 -0.960 1
1 1047 . 5 1 1 A 80 80 LYS HA H 80 4.005 4.106 -0.101 1
1 1056 . 5 1 1 A 80 80 LYS C C 80 177.361 177.501 -0.140 1
1 1057 . 5 1 1 A 80 80 LYS CA C 80 57.098 57.972 -0.874 1
1 1058 . 5 1 1 A 80 80 LYS CB C 80 31.083 32.300 -1.217 1
1 1062 . 5 1 1 A 80 80 LYS N N 80 118.534 120.000 -1.466 1
1 1063 . 5 1 1 A 81 81 PHE H H 81 7.932 8.322 -0.390 1
1 1064 . 5 1 1 A 81 81 PHE HA H 81 4.467 4.334 0.133 1
1 1071 . 5 1 1 A 81 81 PHE C C 81 174.969 177.458 -2.489 1
1 1072 . 5 1 1 A 81 81 PHE CA C 81 58.500 60.519 -2.019 1
1 1073 . 5 1 1 A 81 81 PHE CB C 81 39.516 39.205 0.311 1
1 1078 . 5 1 1 A 81 81 PHE N N 81 114.880 117.468 -2.588 1
1 1079 . 5 1 1 A 82 82 LEU H H 82 7.487 7.245 0.242 1
1 1080 . 5 1 1 A 82 82 LEU HA H 82 4.666 4.265 0.401 1
1 1090 . 5 1 1 A 82 82 LEU C C 82 175.107 177.395 -2.288 1
1 1091 . 5 1 1 A 82 82 LEU CA C 82 52.875 56.611 -3.736 1
1 1092 . 5 1 1 A 82 82 LEU CB C 82 42.802 42.063 0.739 1
1 1096 . 5 1 1 A 82 82 LEU N N 82 122.945 118.828 4.117 1
1 1097 . 5 1 1 A 83 83 LYS H H 83 8.256 8.190 0.066 1
1 1098 . 5 1 1 A 83 83 LYS HA H 83 4.120 3.956 0.164 1
1 1107 . 5 1 1 A 83 83 LYS C C 83 176.236 176.618 -0.382 1
1 1108 . 5 1 1 A 83 83 LYS CA C 83 56.630 57.716 -1.086 1
1 1109 . 5 1 1 A 83 83 LYS CB C 83 31.786 32.124 -0.338 1
1 1113 . 5 1 1 A 83 83 LYS N N 83 118.856 119.147 -0.291 1
1 1114 . 5 1 1 A 84 84 ASN H H 84 8.684 8.246 0.438 1
1 1115 . 5 1 1 A 84 84 ASN HA H 84 4.304 4.842 -0.538 1
1 1120 . 5 1 1 A 84 84 ASN C C 84 173.846 174.947 -1.101 1
1 1121 . 5 1 1 A 84 84 ASN CA C 84 53.816 53.508 0.308 1
1 1122 . 5 1 1 A 84 84 ASN CB C 84 37.176 40.727 -3.551 1
1 1123 . 5 1 1 A 84 84 ASN N N 84 116.099 116.437 -0.338 1
1 1125 . 5 1 1 A 85 85 ARG H H 85 7.665 7.777 -0.112 1
1 1126 . 5 1 1 A 85 85 ARG HA H 85 4.675 4.746 -0.071 1
1 1132 . 5 1 1 A 85 85 ARG C C 85 175.529 175.047 0.482 1
1 1133 . 5 1 1 A 85 85 ARG CA C 85 53.112 54.209 -1.097 1
1 1134 . 5 1 1 A 85 85 ARG CB C 85 31.783 33.468 -1.685 1
1 1137 . 5 1 1 A 85 85 ARG N N 85 116.162 118.013 -1.851 1
1 1139 . 5 1 1 A 86 86 SER H H 86 8.864 8.750 0.114 1
1 1140 . 5 1 1 A 86 86 SER HA H 86 4.488 4.733 -0.245 1
1 1143 . 5 1 1 A 86 86 SER C C 86 174.407 174.923 -0.516 1
1 1144 . 5 1 1 A 86 86 SER CA C 86 57.093 57.117 -0.024 1
1 1145 . 5 1 1 A 86 86 SER CB C 86 64.840 65.965 -1.125 1
1 1146 . 5 1 1 A 86 86 SER N N 86 119.204 117.408 1.796 1
1 1147 . 5 1 1 A 87 87 ASP H H 87 8.784 8.727 0.057 1
1 1148 . 5 1 1 A 87 87 ASP HA H 87 4.095 4.354 -0.259 1
1 1151 . 5 1 1 A 87 87 ASP C C 87 178.111 178.139 -0.028 1
1 1152 . 5 1 1 A 87 87 ASP CA C 87 57.801 57.179 0.622 1
1 1153 . 5 1 1 A 87 87 ASP CB C 87 39.056 39.715 -0.659 1
1 1154 . 5 1 1 A 87 87 ASP N N 87 121.415 123.104 -1.689 1
1 1155 . 5 1 1 A 88 88 ASN H H 88 8.491 7.878 0.613 1
1 1156 . 5 1 1 A 88 88 ASN HA H 88 4.166 4.427 -0.261 1
1 1161 . 5 1 1 A 88 88 ASN C C 88 176.842 177.507 -0.665 1
1 1162 . 5 1 1 A 88 88 ASN CA C 88 55.458 55.862 -0.404 1
1 1163 . 5 1 1 A 88 88 ASN CB C 88 38.103 38.060 0.043 1
1 1164 . 5 1 1 A 88 88 ASN N N 88 115.811 119.228 -3.417 1
1 1166 . 5 1 1 A 89 89 ASN H H 89 7.959 7.760 0.199 1
1 1167 . 5 1 1 A 89 89 ASN HA H 89 4.422 4.468 -0.046 1
1 1172 . 5 1 1 A 89 89 ASN C C 89 178.159 178.021 0.138 1
1 1173 . 5 1 1 A 89 89 ASN CA C 89 56.632 55.712 0.920 1
1 1174 . 5 1 1 A 89 89 ASN CB C 89 39.749 38.685 1.064 1
1 1175 . 5 1 1 A 89 89 ASN N N 89 120.679 117.064 3.615 1
1 1177 . 5 1 1 A 90 90 ILE H H 90 8.373 8.154 0.219 1
1 1178 . 5 1 1 A 90 90 ILE HA H 90 3.840 3.971 -0.131 1
1 1188 . 5 1 1 A 90 90 ILE C C 90 176.191 177.762 -1.571 1
1 1189 . 5 1 1 A 90 90 ILE CA C 90 65.298 65.118 0.180 1
1 1190 . 5 1 1 A 90 90 ILE CB C 90 38.109 37.551 0.558 1
1 1194 . 5 1 1 A 90 90 ILE N N 90 120.840 119.653 1.187 1
1 1195 . 5 1 1 A 91 91 ARG H H 91 7.749 8.491 -0.742 1
1 1196 . 5 1 1 A 91 91 ARG HA H 91 2.077 3.069 -0.992 1
1 1203 . 5 1 1 A 91 91 ARG C C 91 178.063 178.130 -0.067 1
1 1204 . 5 1 1 A 91 91 ARG CA C 91 58.500 58.991 -0.491 1
1 1205 . 5 1 1 A 91 91 ARG CB C 91 28.969 29.814 -0.845 1
1 1208 . 5 1 1 A 91 91 ARG N N 91 120.230 120.407 -0.177 1
1 1209 . 5 1 1 A 92 92 ASN H H 92 7.959 7.966 -0.007 1
1 1210 . 5 1 1 A 92 92 ASN HA H 92 4.167 4.431 -0.264 1
1 1215 . 5 1 1 A 92 92 ASN C C 92 177.689 177.891 -0.202 1
1 1216 . 5 1 1 A 92 92 ASN CA C 92 55.640 56.081 -0.441 1
1 1217 . 5 1 1 A 92 92 ASN CB C 92 37.644 38.721 -1.077 1
1 1218 . 5 1 1 A 92 92 ASN N N 92 115.405 117.850 -2.445 1
1 1220 . 5 1 1 A 93 93 ARG H H 93 7.872 8.367 -0.495 1
1 1221 . 5 1 1 A 93 93 ARG HA H 93 3.610 3.851 -0.241 1
1 1229 . 5 1 1 A 93 93 ARG C C 93 177.737 179.057 -1.320 1
1 1230 . 5 1 1 A 93 93 ARG CA C 93 57.263 58.976 -1.713 1
1 1231 . 5 1 1 A 93 93 ARG CB C 93 29.141 29.975 -0.834 1
1 1234 . 5 1 1 A 93 93 ARG N N 93 122.360 118.590 3.770 1
1 1236 . 5 1 1 A 94 94 TRP H H 94 8.411 8.962 -0.551 1
1 1237 . 5 1 1 A 94 94 TRP HA H 94 3.818 4.425 -0.607 1
1 1241 . 5 1 1 A 94 94 TRP N N 94 119.510 122.227 -2.717 1
1 1243 . 5 1 1 A 95 95 MET HA H 95 3.725 4.062 -0.337 1
1 1246 . 5 1 1 A 95 95 MET C C 95 178.580 178.508 0.072 1
1 1247 . 5 1 1 A 95 95 MET CA C 95 57.807 58.318 -0.511 1
1 1248 . 5 1 1 A 95 95 MET CB C 95 32.023 32.230 -0.207 1
1 1249 . 5 1 1 A 96 96 MET H H 96 7.580 7.597 -0.017 1
1 1250 . 5 1 1 A 96 96 MET HA H 96 3.980 4.237 -0.257 1
1 1255 . 5 1 1 A 96 96 MET C C 96 178.344 178.031 0.313 1
1 1256 . 5 1 1 A 96 96 MET CA C 96 58.033 57.797 0.236 1
1 1257 . 5 1 1 A 96 96 MET CB C 96 31.783 32.317 -0.534 1
1 1259 . 5 1 1 A 96 96 MET N N 96 118.340 118.815 -0.475 1
1 1260 . 5 1 1 A 97 97 ILE H H 97 7.884 7.926 -0.042 1
1 1261 . 5 1 1 A 97 97 ILE HA H 97 3.583 3.817 -0.234 1
1 1271 . 5 1 1 A 97 97 ILE C C 97 178.154 177.582 0.572 1
1 1272 . 5 1 1 A 97 97 ILE CA C 97 63.656 63.813 -0.157 1
1 1273 . 5 1 1 A 97 97 ILE CB C 97 37.637 36.802 0.835 1
1 1277 . 5 1 1 A 97 97 ILE N N 97 120.158 118.344 1.814 1
1 1278 . 5 1 1 A 98 98 ALA H H 98 8.064 8.260 -0.196 1
1 1279 . 5 1 1 A 98 98 ALA HA H 98 3.515 3.787 -0.272 1
1 1283 . 5 1 1 A 98 98 ALA C C 98 180.224 179.691 0.533 1
1 1284 . 5 1 1 A 98 98 ALA CA C 98 54.283 54.242 0.041 1
1 1285 . 5 1 1 A 98 98 ALA CB C 98 17.251 17.500 -0.249 1
1 1286 . 5 1 1 A 98 98 ALA N N 98 123.446 122.780 0.666 1
1 1287 . 5 1 1 A 99 99 ARG H H 99 7.623 7.769 -0.146 1
1 1288 . 5 1 1 A 99 99 ARG HA H 99 3.934 3.992 -0.058 1
1 1295 . 5 1 1 A 99 99 ARG C C 99 177.923 178.701 -0.778 1
1 1296 . 5 1 1 A 99 99 ARG CA C 99 57.968 58.523 -0.555 1
1 1297 . 5 1 1 A 99 99 ARG CB C 99 29.606 29.722 -0.116 1
1 1300 . 5 1 1 A 99 99 ARG N N 99 117.538 119.072 -1.534 1
1 1301 . 5 1 1 A 100 100 HIS H H 100 7.797 7.831 -0.034 1
1 1302 . 5 1 1 A 100 100 HIS HA H 100 4.409 4.219 0.190 1
1 1307 . 5 1 1 A 100 100 HIS C C 100 176.575 176.813 -0.238 1
1 1308 . 5 1 1 A 100 100 HIS CA C 100 57.109 59.191 -2.082 1
1 1309 . 5 1 1 A 100 100 HIS CB C 100 29.204 29.734 -0.530 1
1 1312 . 5 1 1 A 100 100 HIS N N 100 118.311 119.322 -1.011 1
1 1313 . 5 1 1 A 101 101 ARG H H 101 8.057 7.904 0.153 1
1 1314 . 5 1 1 A 101 101 ARG HA H 101 4.062 3.936 0.126 1
1 1321 . 5 1 1 A 101 101 ARG C C 101 177.220 177.677 -0.457 1
1 1322 . 5 1 1 A 101 101 ARG CA C 101 57.556 58.238 -0.682 1
1 1323 . 5 1 1 A 101 101 ARG CB C 101 30.157 30.206 -0.049 1
1 1326 . 5 1 1 A 101 101 ARG N N 101 119.935 118.531 1.404 1
1 1327 . 5 1 1 A 102 102 ALA H H 102 7.917 7.654 0.263 1
1 1328 . 5 1 1 A 102 102 ALA HA H 102 4.167 4.227 -0.060 1
1 1332 . 5 1 1 A 102 102 ALA C C 102 178.532 178.348 0.184 1
1 1333 . 5 1 1 A 102 102 ALA CA C 102 53.103 52.631 0.472 1
1 1334 . 5 1 1 A 102 102 ALA CB C 102 18.447 18.277 0.170 1
1 1335 . 5 1 1 A 102 102 ALA N N 102 122.678 121.821 0.857 1
1 1336 . 5 1 1 A 103 103 LYS H H 103 7.884 7.783 0.101 1
1 1337 . 5 1 1 A 103 103 LYS HA H 103 4.121 4.157 -0.036 1
1 1346 . 5 1 1 A 103 103 LYS C C 103 177.080 178.298 -1.218 1
1 1347 . 5 1 1 A 103 103 LYS CA C 103 56.856 58.231 -1.375 1
1 1348 . 5 1 1 A 103 103 LYS CB C 103 32.480 33.143 -0.663 1
1 1352 . 5 1 1 A 103 103 LYS N N 103 118.773 119.046 -0.273 1
1 1353 . 5 1 1 A 104 104 HIS H H 104 8.118 7.637 0.481 1
1 1354 . 5 1 1 A 104 104 HIS HA H 104 4.560 4.715 -0.155 1
1 1359 . 5 1 1 A 104 104 HIS C C 104 175.204 175.562 -0.358 1
1 1360 . 5 1 1 A 104 104 HIS CA C 104 55.932 55.413 0.519 1
1 1361 . 5 1 1 A 104 104 HIS CB C 104 29.448 32.031 -2.583 1
1 1364 . 5 1 1 A 104 104 HIS N N 104 118.685 111.738 6.947 1
1 1365 . 5 1 1 A 105 105 GLN H H 105 8.233 7.576 0.657 1
1 1366 . 5 1 1 A 105 105 GLN HA H 105 4.218 3.953 0.265 1
1 1373 . 5 1 1 A 105 105 GLN C C 105 176.172 178.317 -2.145 1
1 1374 . 5 1 1 A 105 105 GLN CA C 105 56.130 57.483 -1.353 1
1 1375 . 5 1 1 A 105 105 GLN CB C 105 28.976 28.203 0.773 1
1 1377 . 5 1 1 A 105 105 GLN N N 105 121.104 120.136 0.968 1
1 1379 . 5 1 1 A 106 106 LYS H H 106 8.346 7.797 0.549 1
1 1380 . 5 1 1 A 106 106 LYS HA H 106 4.239 4.085 0.154 1
1 1389 . 5 1 1 A 106 106 LYS C C 106 177.022 178.466 -1.444 1
1 1390 . 5 1 1 A 106 106 LYS CA C 106 56.647 58.240 -1.593 1
1 1391 . 5 1 1 A 106 106 LYS CB C 106 32.481 32.026 0.455 1
1 1395 . 5 1 1 A 106 106 LYS N N 106 122.274 121.047 1.227 1
1 16 . 6 1 1 A 2 2 VAL H H 2 8.319 8.396 -0.077 1
1 17 . 6 1 1 A 2 2 VAL HA H 2 4.096 4.128 -0.032 1
1 25 . 6 1 1 A 2 2 VAL C C 2 176.167 176.705 -0.538 1
1 26 . 6 1 1 A 2 2 VAL CA C 2 67.781 61.700 6.081 1
1 27 . 6 1 1 A 2 2 VAL CB C 2 32.484 32.381 0.103 1
1 30 . 6 1 1 A 2 2 VAL N N 2 122.596 124.079 -1.483 1
1 31 . 6 1 1 A 3 3 LYS H H 3 8.470 8.636 -0.166 1
1 32 . 6 1 1 A 3 3 LYS HA H 3 4.327 3.908 0.419 1
1 41 . 6 1 1 A 3 3 LYS C C 3 176.713 177.046 -0.333 1
1 42 . 6 1 1 A 3 3 LYS CA C 3 56.391 59.864 -3.473 1
1 43 . 6 1 1 A 3 3 LYS CB C 3 32.723 32.225 0.498 1
1 47 . 6 1 1 A 3 3 LYS N N 3 127.359 125.247 2.112 1
1 48 . 6 1 1 A 4 4 PHE H H 4 8.471 7.456 1.015 1
1 49 . 6 1 1 A 4 4 PHE HA H 4 4.491 4.591 -0.100 1
1 57 . 6 1 1 A 4 4 PHE C C 4 177.923 175.408 2.515 1
1 58 . 6 1 1 A 4 4 PHE CA C 4 57.566 56.041 1.525 1
1 59 . 6 1 1 A 4 4 PHE CB C 4 39.751 40.269 -0.518 1
1 65 . 6 1 1 A 4 4 PHE N N 4 125.570 116.712 8.858 1
1 66 . 6 1 1 A 5 5 THR H H 5 8.880 8.436 0.444 1
1 67 . 6 1 1 A 5 5 THR HA H 5 4.490 4.578 -0.088 1
1 72 . 6 1 1 A 5 5 THR C C 5 175.297 175.756 -0.459 1
1 73 . 6 1 1 A 5 5 THR CA C 5 60.140 60.908 -0.768 1
1 74 . 6 1 1 A 5 5 THR CB C 5 70.922 69.944 0.978 1
1 76 . 6 1 1 A 5 5 THR N N 5 114.601 114.862 -0.261 1
1 77 . 6 1 1 A 6 6 GLU H H 6 9.000 9.090 -0.090 1
1 78 . 6 1 1 A 6 6 GLU HA H 6 4.142 4.110 0.032 1
1 83 . 6 1 1 A 6 6 GLU C C 6 179.326 178.326 1.000 1
1 84 . 6 1 1 A 6 6 GLU CA C 6 59.675 60.003 -0.328 1
1 85 . 6 1 1 A 6 6 GLU CB C 6 29.203 29.297 -0.094 1
1 87 . 6 1 1 A 6 6 GLU N N 6 121.577 127.431 -5.854 1
1 88 . 6 1 1 A 7 7 GLU H H 7 8.658 8.728 -0.070 1
1 89 . 6 1 1 A 7 7 GLU HA H 7 4.026 3.989 0.037 1
1 94 . 6 1 1 A 7 7 GLU C C 7 179.616 179.614 0.002 1
1 95 . 6 1 1 A 7 7 GLU CA C 7 59.683 59.489 0.194 1
1 96 . 6 1 1 A 7 7 GLU CB C 7 28.972 29.317 -0.345 1
1 98 . 6 1 1 A 7 7 GLU N N 7 118.231 120.255 -2.024 1
1 99 . 6 1 1 A 8 8 GLU H H 8 7.930 8.108 -0.178 1
1 100 . 6 1 1 A 8 8 GLU HA H 8 3.955 4.135 -0.180 1
1 105 . 6 1 1 A 8 8 GLU C C 8 178.395 178.643 -0.248 1
1 106 . 6 1 1 A 8 8 GLU CA C 8 59.672 59.417 0.255 1
1 107 . 6 1 1 A 8 8 GLU CB C 8 31.318 30.007 1.311 1
1 109 . 6 1 1 A 8 8 GLU N N 8 121.169 121.128 0.041 1
1 110 . 6 1 1 A 9 9 ASP H H 9 8.507 8.286 0.221 1
1 111 . 6 1 1 A 9 9 ASP HA H 9 4.677 4.454 0.223 1
1 114 . 6 1 1 A 9 9 ASP C C 9 179.329 178.102 1.227 1
1 115 . 6 1 1 A 9 9 ASP CA C 9 57.562 57.076 0.486 1
1 116 . 6 1 1 A 9 9 ASP CB C 9 40.217 41.693 -1.476 1
1 117 . 6 1 1 A 9 9 ASP N N 9 121.164 120.524 0.640 1
1 118 . 6 1 1 A 10 10 LEU H H 10 8.042 7.654 0.388 1
1 119 . 6 1 1 A 10 10 LEU HA H 10 4.143 4.042 0.101 1
1 129 . 6 1 1 A 10 10 LEU C C 10 179.329 179.775 -0.446 1
1 130 . 6 1 1 A 10 10 LEU CA C 10 57.796 57.372 0.424 1
1 131 . 6 1 1 A 10 10 LEU CB C 10 41.392 41.214 0.178 1
1 135 . 6 1 1 A 10 10 LEU N N 10 120.628 119.329 1.299 1
1 136 . 6 1 1 A 11 11 LYS H H 11 8.040 8.195 -0.155 1
1 137 . 6 1 1 A 11 11 LYS HA H 11 4.049 4.134 -0.085 1
1 146 . 6 1 1 A 11 11 LYS C C 11 178.345 179.313 -0.968 1
1 147 . 6 1 1 A 11 11 LYS CA C 11 59.199 58.621 0.578 1
1 148 . 6 1 1 A 11 11 LYS CB C 11 32.488 32.190 0.298 1
1 152 . 6 1 1 A 11 11 LYS N N 11 121.016 118.920 2.096 1
1 153 . 6 1 1 A 12 12 LEU H H 12 8.865 7.926 0.939 1
1 154 . 6 1 1 A 12 12 LEU HA H 12 4.258 4.045 0.213 1
1 164 . 6 1 1 A 12 12 LEU C C 12 178.298 178.709 -0.411 1
1 165 . 6 1 1 A 12 12 LEU CA C 12 58.500 57.823 0.677 1
1 166 . 6 1 1 A 12 12 LEU CB C 12 41.389 41.504 -0.115 1
1 169 . 6 1 1 A 12 12 LEU N N 12 120.138 119.405 0.733 1
1 170 . 6 1 1 A 13 13 GLN H H 13 8.400 7.985 0.415 1
1 171 . 6 1 1 A 13 13 GLN HA H 13 4.097 4.138 -0.041 1
1 178 . 6 1 1 A 13 13 GLN C C 13 178.254 178.000 0.254 1
1 179 . 6 1 1 A 13 13 GLN CA C 13 59.693 58.726 0.967 1
1 180 . 6 1 1 A 13 13 GLN CB C 13 28.733 28.602 0.131 1
1 182 . 6 1 1 A 13 13 GLN N N 13 117.136 117.355 -0.219 1
1 184 . 6 1 1 A 14 14 GLN H H 14 8.175 7.387 0.788 1
1 185 . 6 1 1 A 14 14 GLN HA H 14 3.980 4.165 -0.185 1
1 192 . 6 1 1 A 14 14 GLN C C 14 179.518 178.497 1.021 1
1 193 . 6 1 1 A 14 14 GLN CA C 14 58.745 58.139 0.606 1
1 194 . 6 1 1 A 14 14 GLN CB C 14 28.034 28.959 -0.925 1
1 196 . 6 1 1 A 14 14 GLN N N 14 117.947 118.973 -1.026 1
1 198 . 6 1 1 A 15 15 LEU H H 15 8.721 8.383 0.338 1
1 199 . 6 1 1 A 15 15 LEU HA H 15 4.143 3.964 0.179 1
1 209 . 6 1 1 A 15 15 LEU C C 15 178.956 179.106 -0.150 1
1 210 . 6 1 1 A 15 15 LEU CA C 15 57.562 58.045 -0.483 1
1 211 . 6 1 1 A 15 15 LEU CB C 15 42.801 41.808 0.993 1
1 215 . 6 1 1 A 15 15 LEU N N 15 120.641 120.508 0.133 1
1 216 . 6 1 1 A 16 16 VAL H H 16 8.603 8.435 0.168 1
1 217 . 6 1 1 A 16 16 VAL HA H 16 3.230 3.441 -0.211 1
1 225 . 6 1 1 A 16 16 VAL C C 16 179.988 177.663 2.325 1
1 226 . 6 1 1 A 16 16 VAL CA C 16 65.733 67.293 -1.560 1
1 227 . 6 1 1 A 16 16 VAL CB C 16 30.609 31.242 -0.633 1
1 230 . 6 1 1 A 16 16 VAL N N 16 120.873 117.806 3.067 1
1 231 . 6 1 1 A 17 17 MET H H 17 8.058 7.892 0.166 1
1 232 . 6 1 1 A 17 17 MET HA H 17 4.050 4.127 -0.077 1
1 237 . 6 1 1 A 17 17 MET C C 17 177.501 178.335 -0.834 1
1 238 . 6 1 1 A 17 17 MET CA C 17 58.270 58.465 -0.195 1
1 239 . 6 1 1 A 17 17 MET CB C 17 31.784 31.700 0.084 1
1 241 . 6 1 1 A 17 17 MET N N 17 119.240 119.845 -0.605 1
1 242 . 6 1 1 A 18 18 ARG H H 18 7.406 7.901 -0.495 1
1 243 . 6 1 1 A 18 18 ARG HA H 18 3.957 3.881 0.076 1
1 250 . 6 1 1 A 18 18 ARG C C 18 177.691 176.987 0.704 1
1 251 . 6 1 1 A 18 18 ARG CA C 18 58.301 58.390 -0.089 1
1 252 . 6 1 1 A 18 18 ARG CB C 18 30.842 29.554 1.288 1
1 255 . 6 1 1 A 18 18 ARG N N 18 117.487 120.133 -2.646 1
1 256 . 6 1 1 A 19 19 TYR H H 19 8.571 7.205 1.366 1
1 257 . 6 1 1 A 19 19 TYR HA H 19 4.490 4.504 -0.014 1
1 264 . 6 1 1 A 19 19 TYR C C 19 176.706 175.812 0.894 1
1 265 . 6 1 1 A 19 19 TYR CA C 19 58.739 57.612 1.127 1
1 266 . 6 1 1 A 19 19 TYR CB C 19 39.044 38.529 0.515 1
1 271 . 6 1 1 A 19 19 TYR N N 19 115.284 115.288 -0.004 1
1 272 . 6 1 1 A 20 20 GLY H H 20 8.148 9.484 -1.336 1
1 273 . 6 1 1 A 20 20 GLY HA2 H 20 3.609 3.875 -0.266 1
1 274 . 6 1 1 A 20 20 GLY HA3 H 20 4.137 3.905 0.232 1
1 275 . 6 1 1 A 20 20 GLY C C 20 171.784 173.783 -1.999 1
1 276 . 6 1 1 A 20 20 GLY CA C 20 43.972 46.688 -2.716 1
1 277 . 6 1 1 A 20 20 GLY N N 20 110.830 108.518 2.312 1
1 278 . 6 1 1 A 21 21 ALA H H 21 7.886 7.808 0.078 1
1 279 . 6 1 1 A 21 21 ALA HA H 21 3.400 4.097 -0.697 1
1 283 . 6 1 1 A 21 21 ALA C C 21 176.002 176.887 -0.885 1
1 284 . 6 1 1 A 21 21 ALA CA C 21 49.825 51.117 -1.292 1
1 285 . 6 1 1 A 21 21 ALA CB C 21 17.960 18.398 -0.438 1
1 286 . 6 1 1 A 21 21 ALA N N 21 119.337 122.065 -2.728 1
1 287 . 6 1 1 A 22 22 LYS H H 22 7.424 7.597 -0.173 1
1 288 . 6 1 1 A 22 22 LYS HA H 22 4.258 4.579 -0.321 1
1 297 . 6 1 1 A 22 22 LYS C C 22 175.769 175.508 0.261 1
1 298 . 6 1 1 A 22 22 LYS CA C 22 55.921 56.456 -0.535 1
1 299 . 6 1 1 A 22 22 LYS CB C 22 33.371 34.547 -1.176 1
1 303 . 6 1 1 A 22 22 LYS N N 22 115.793 114.350 1.443 1
1 304 . 6 1 1 A 23 23 ASP H H 23 7.724 7.555 0.169 1
1 305 . 6 1 1 A 23 23 ASP HA H 23 4.700 4.795 -0.095 1
1 308 . 6 1 1 A 23 23 ASP C C 23 176.142 176.380 -0.238 1
1 309 . 6 1 1 A 23 23 ASP CA C 23 51.704 52.410 -0.706 1
1 310 . 6 1 1 A 23 23 ASP CB C 23 39.514 40.753 -1.239 1
1 311 . 6 1 1 A 23 23 ASP N N 23 119.398 120.105 -0.707 1
1 312 . 6 1 1 A 24 24 TRP H H 24 8.035 7.762 0.273 1
1 313 . 6 1 1 A 24 24 TRP HA H 24 4.258 4.294 -0.036 1
1 322 . 6 1 1 A 24 24 TRP C C 24 178.252 178.114 0.138 1
1 323 . 6 1 1 A 24 24 TRP CA C 24 58.736 59.579 -0.843 1
1 324 . 6 1 1 A 24 24 TRP CB C 24 28.970 28.506 0.464 1
1 330 . 6 1 1 A 24 24 TRP N N 24 123.130 123.015 0.115 1
1 332 . 6 1 1 A 25 25 ILE H H 25 8.092 7.725 0.367 1
1 333 . 6 1 1 A 25 25 ILE HA H 25 3.724 3.811 -0.087 1
1 343 . 6 1 1 A 25 25 ILE C C 25 177.806 177.982 -0.176 1
1 344 . 6 1 1 A 25 25 ILE CA C 25 65.060 64.797 0.263 1
1 345 . 6 1 1 A 25 25 ILE CB C 25 36.234 37.352 -1.118 1
1 349 . 6 1 1 A 25 25 ILE N N 25 121.518 115.593 5.925 1
1 350 . 6 1 1 A 26 26 ARG H H 26 7.503 7.801 -0.298 1
1 351 . 6 1 1 A 26 26 ARG HA H 26 3.864 3.953 -0.089 1
1 358 . 6 1 1 A 26 26 ARG C C 26 178.303 178.083 0.220 1
1 359 . 6 1 1 A 26 26 ARG CA C 26 58.267 59.259 -0.992 1
1 360 . 6 1 1 A 26 26 ARG CB C 26 29.680 30.449 -0.769 1
1 363 . 6 1 1 A 26 26 ARG N N 26 122.119 120.667 1.452 1
1 364 . 6 1 1 A 27 27 ILE H H 27 7.340 7.508 -0.168 1
1 365 . 6 1 1 A 27 27 ILE HA H 27 3.450 3.650 -0.200 1
1 375 . 6 1 1 A 27 27 ILE C C 27 177.689 178.411 -0.722 1
1 376 . 6 1 1 A 27 27 ILE CA C 27 63.893 65.259 -1.366 1
1 377 . 6 1 1 A 27 27 ILE CB C 27 36.474 37.169 -0.695 1
1 381 . 6 1 1 A 27 27 ILE N N 27 115.446 120.523 -5.077 1
1 382 . 6 1 1 A 28 28 SER H H 28 8.203 7.980 0.223 1
1 383 . 6 1 1 A 28 28 SER HA H 28 4.144 4.289 -0.145 1
1 386 . 6 1 1 A 28 28 SER C C 28 177.220 177.109 0.111 1
1 387 . 6 1 1 A 28 28 SER CA C 28 61.085 61.394 -0.309 1
1 388 . 6 1 1 A 28 28 SER CB C 28 63.421 63.066 0.355 1
1 389 . 6 1 1 A 28 28 SER N N 28 113.324 116.885 -3.561 1
1 390 . 6 1 1 A 29 29 GLN H H 29 8.177 7.424 0.753 1
1 391 . 6 1 1 A 29 29 GLN HA H 29 4.003 4.056 -0.053 1
1 398 . 6 1 1 A 29 29 GLN C C 29 178.910 178.991 -0.081 1
1 399 . 6 1 1 A 29 29 GLN CA C 29 58.503 58.855 -0.352 1
1 400 . 6 1 1 A 29 29 GLN CB C 29 27.796 28.110 -0.314 1
1 402 . 6 1 1 A 29 29 GLN N N 29 120.561 121.642 -1.081 1
1 404 . 6 1 1 A 30 30 LEU H H 30 7.494 7.541 -0.047 1
1 405 . 6 1 1 A 30 30 LEU HA H 30 4.258 3.978 0.280 1
1 415 . 6 1 1 A 30 30 LEU C C 30 178.956 177.146 1.810 1
1 416 . 6 1 1 A 30 30 LEU CA C 30 55.675 57.495 -1.820 1
1 417 . 6 1 1 A 30 30 LEU CB C 30 42.559 41.680 0.879 1
1 421 . 6 1 1 A 30 30 LEU N N 30 118.106 119.847 -1.741 1
1 422 . 6 1 1 A 31 31 MET H H 31 8.399 7.176 1.223 1
1 423 . 6 1 1 A 31 31 MET HA H 31 4.329 4.838 -0.509 1
1 428 . 6 1 1 A 31 31 MET C C 31 179.515 175.879 3.636 1
1 429 . 6 1 1 A 31 31 MET CA C 31 55.921 54.099 1.822 1
1 430 . 6 1 1 A 31 31 MET CB C 31 31.310 32.206 -0.896 1
1 432 . 6 1 1 A 31 31 MET N N 31 120.008 115.914 4.094 1
1 433 . 6 1 1 A 32 32 ILE H H 32 8.177 8.149 0.028 1
1 434 . 6 1 1 A 32 32 ILE HA H 32 3.423 4.152 -0.729 1
1 444 . 6 1 1 A 32 32 ILE C C 32 179.473 177.068 2.405 1
1 445 . 6 1 1 A 32 32 ILE CA C 32 67.639 63.148 4.491 1
1 446 . 6 1 1 A 32 32 ILE CB C 32 35.767 37.886 -2.119 1
1 450 . 6 1 1 A 32 32 ILE N N 32 114.338 119.769 -5.431 1
1 451 . 6 1 1 A 33 33 THR H H 33 8.957 7.677 1.280 1
1 452 . 6 1 1 A 33 33 THR HA H 33 4.143 4.253 -0.110 1
1 457 . 6 1 1 A 33 33 THR C C 33 174.361 173.575 0.786 1
1 458 . 6 1 1 A 33 33 THR CA C 33 62.251 62.934 -0.683 1
1 459 . 6 1 1 A 33 33 THR CB C 33 68.581 69.198 -0.617 1
1 461 . 6 1 1 A 33 33 THR N N 33 110.164 113.096 -2.932 1
1 462 . 6 1 1 A 34 34 ARG H H 34 6.509 7.527 -1.018 1
1 463 . 6 1 1 A 34 34 ARG HA H 34 4.862 4.853 0.009 1
1 470 . 6 1 1 A 34 34 ARG C C 34 174.922 174.808 0.114 1
1 471 . 6 1 1 A 34 34 ARG CA C 34 51.939 54.710 -2.771 1
1 472 . 6 1 1 A 34 34 ARG CB C 34 36.061 33.584 2.477 1
1 475 . 6 1 1 A 34 34 ARG N N 34 116.058 118.758 -2.700 1
1 476 . 6 1 1 A 35 35 ASN H H 35 8.733 8.878 -0.145 1
1 477 . 6 1 1 A 35 35 ASN HA H 35 4.810 4.962 -0.152 1
1 482 . 6 1 1 A 35 35 ASN C C 35 173.986 175.586 -1.600 1
1 483 . 6 1 1 A 35 35 ASN CA C 35 52.107 51.809 0.298 1
1 484 . 6 1 1 A 35 35 ASN CB C 35 36.636 37.882 -1.246 1
1 485 . 6 1 1 A 35 35 ASN N N 35 122.840 120.057 2.783 1
1 487 . 6 1 1 A 36 36 PRO HA H 36 4.197 4.581 -0.384 1
1 494 . 6 1 1 A 36 36 PRO C C 36 178.019 178.738 -0.719 1
1 495 . 6 1 1 A 36 36 PRO CA C 36 67.412 65.704 1.708 1
1 496 . 6 1 1 A 36 36 PRO CB C 36 32.018 31.921 0.097 1
1 499 . 6 1 1 A 37 37 ARG H H 37 7.804 8.502 -0.698 1
1 500 . 6 1 1 A 37 37 ARG HA H 37 3.749 3.914 -0.165 1
1 507 . 6 1 1 A 37 37 ARG C C 37 178.300 178.971 -0.671 1
1 508 . 6 1 1 A 37 37 ARG CA C 37 59.202 58.892 0.310 1
1 509 . 6 1 1 A 37 37 ARG CB C 37 29.435 29.426 0.009 1
1 512 . 6 1 1 A 37 37 ARG N N 37 117.759 117.643 0.116 1
1 513 . 6 1 1 A 38 38 GLN H H 38 8.682 8.499 0.183 1
1 514 . 6 1 1 A 38 38 GLN HA H 38 4.043 4.132 -0.089 1
1 521 . 6 1 1 A 38 38 GLN C C 38 180.078 177.694 2.384 1
1 522 . 6 1 1 A 38 38 GLN CA C 38 58.506 59.003 -0.497 1
1 523 . 6 1 1 A 38 38 GLN CB C 38 29.431 28.776 0.655 1
1 525 . 6 1 1 A 38 38 GLN N N 38 117.504 118.238 -0.734 1
1 527 . 6 1 1 A 39 39 CYS H H 39 8.095 7.742 0.353 1
1 528 . 6 1 1 A 39 39 CYS HA H 39 4.059 4.349 -0.290 1
1 531 . 6 1 1 A 39 39 CYS C C 39 173.893 177.186 -3.293 1
1 532 . 6 1 1 A 39 39 CYS CA C 39 64.592 60.931 3.661 1
1 533 . 6 1 1 A 39 39 CYS CB C 39 27.328 27.782 -0.454 1
1 534 . 6 1 1 A 39 39 CYS N N 39 116.291 118.736 -2.445 1
1 535 . 6 1 1 A 40 40 ARG H H 40 7.589 7.655 -0.066 1
1 536 . 6 1 1 A 40 40 ARG HA H 40 1.821 2.608 -0.787 1
1 543 . 6 1 1 A 40 40 ARG C C 40 178.204 178.744 -0.540 1
1 544 . 6 1 1 A 40 40 ARG CA C 40 58.264 58.168 0.096 1
1 545 . 6 1 1 A 40 40 ARG CB C 40 29.440 28.946 0.494 1
1 548 . 6 1 1 A 40 40 ARG N N 40 121.272 121.000 0.272 1
1 549 . 6 1 1 A 41 41 GLU H H 41 8.352 7.842 0.510 1
1 550 . 6 1 1 A 41 41 GLU HA H 41 3.817 4.121 -0.304 1
1 555 . 6 1 1 A 41 41 GLU C C 41 178.718 179.295 -0.577 1
1 556 . 6 1 1 A 41 41 GLU CA C 41 58.971 58.988 -0.017 1
1 557 . 6 1 1 A 41 41 GLU CB C 41 28.972 29.010 -0.038 1
1 559 . 6 1 1 A 41 41 GLU N N 41 117.034 118.943 -1.909 1
1 560 . 6 1 1 A 42 42 ARG H H 42 7.755 7.942 -0.187 1
1 561 . 6 1 1 A 42 42 ARG HA H 42 3.931 4.217 -0.286 1
1 568 . 6 1 1 A 42 42 ARG C C 42 179.333 178.552 0.781 1
1 569 . 6 1 1 A 42 42 ARG CA C 42 57.261 59.224 -1.963 1
1 570 . 6 1 1 A 42 42 ARG CB C 42 29.610 30.097 -0.487 1
1 573 . 6 1 1 A 42 42 ARG N N 42 119.603 120.791 -1.188 1
1 574 . 6 1 1 A 43 43 TRP H H 43 8.199 7.850 0.349 1
1 575 . 6 1 1 A 43 43 TRP HA H 43 4.292 4.342 -0.050 1
1 579 . 6 1 1 A 43 43 TRP C C 43 176.705 178.347 -1.642 1
1 580 . 6 1 1 A 43 43 TRP CA C 43 57.006 61.402 -4.396 1
1 581 . 6 1 1 A 43 43 TRP CB C 43 29.620 29.801 -0.181 1
1 582 . 6 1 1 A 43 43 TRP N N 43 119.355 121.842 -2.487 1
1 584 . 6 1 1 A 44 44 ASN H H 44 8.478 8.153 0.325 1
1 585 . 6 1 1 A 44 44 ASN HA H 44 4.177 4.045 0.132 1
1 590 . 6 1 1 A 44 44 ASN C C 44 176.986 176.568 0.418 1
1 591 . 6 1 1 A 44 44 ASN CA C 44 55.457 55.863 -0.406 1
1 592 . 6 1 1 A 44 44 ASN CB C 44 38.347 37.966 0.381 1
1 593 . 6 1 1 A 44 44 ASN N N 44 113.530 116.725 -3.195 1
1 595 . 6 1 1 A 45 45 ASN H H 45 8.060 8.144 -0.084 1
1 596 . 6 1 1 A 45 45 ASN HA H 45 4.630 4.987 -0.357 1
1 601 . 6 1 1 A 45 45 ASN C C 45 175.347 174.895 0.452 1
1 602 . 6 1 1 A 45 45 ASN CA C 45 53.350 53.233 0.117 1
1 603 . 6 1 1 A 45 45 ASN CB C 45 39.047 39.592 -0.545 1
1 604 . 6 1 1 A 45 45 ASN N N 45 112.540 113.445 -0.905 1
1 606 . 6 1 1 A 46 46 TYR H H 46 7.443 7.884 -0.441 1
1 607 . 6 1 1 A 46 46 TYR HA H 46 4.447 4.896 -0.449 1
1 614 . 6 1 1 A 46 46 TYR C C 46 175.439 175.076 0.363 1
1 615 . 6 1 1 A 46 46 TYR CA C 46 60.074 59.306 0.768 1
1 616 . 6 1 1 A 46 46 TYR CB C 46 40.383 40.524 -0.141 1
1 621 . 6 1 1 A 46 46 TYR N N 46 117.403 118.897 -1.494 1
1 622 . 6 1 1 A 47 47 ILE HA H 47 3.786 4.692 -0.906 1
1 632 . 6 1 1 A 47 47 ILE C C 47 175.440 174.099 1.341 1
1 633 . 6 1 1 A 47 47 ILE CA C 47 62.240 59.526 2.714 1
1 634 . 6 1 1 A 47 47 ILE CB C 47 38.670 41.066 -2.396 1
1 638 . 6 1 1 A 48 48 ASN H H 48 7.922 8.564 -0.642 1
1 639 . 6 1 1 A 48 48 ASN HA H 48 3.795 4.549 -0.754 1
1 642 . 6 1 1 A 48 48 ASN C C 48 174.640 175.462 -0.822 1
1 643 . 6 1 1 A 48 48 ASN N N 48 119.990 121.426 -1.436 1
1 645 . 6 1 1 A 49 49 PRO HA H 49 4.166 4.404 -0.238 1
1 652 . 6 1 1 A 49 49 PRO C C 49 177.408 176.475 0.933 1
1 653 . 6 1 1 A 49 49 PRO CA C 49 64.124 63.518 0.606 1
1 654 . 6 1 1 A 49 49 PRO CB C 49 31.313 32.624 -1.311 1
1 657 . 6 1 1 A 50 50 ALA H H 50 7.595 7.938 -0.343 1
1 658 . 6 1 1 A 50 50 ALA HA H 50 4.128 3.964 0.164 1
1 662 . 6 1 1 A 50 50 ALA C C 50 178.251 177.615 0.636 1
1 663 . 6 1 1 A 50 50 ALA CA C 50 52.642 52.970 -0.328 1
1 664 . 6 1 1 A 50 50 ALA CB C 50 18.422 17.257 1.165 1
1 665 . 6 1 1 A 50 50 ALA N N 50 120.036 120.381 -0.345 1
1 666 . 6 1 1 A 51 51 LEU H H 51 7.586 7.932 -0.346 1
1 667 . 6 1 1 A 51 51 LEU HA H 51 4.119 4.497 -0.378 1
1 677 . 6 1 1 A 51 51 LEU C C 51 177.686 177.456 0.230 1
1 678 . 6 1 1 A 51 51 LEU CA C 51 55.219 54.630 0.589 1
1 679 . 6 1 1 A 51 51 LEU CB C 51 41.883 41.652 0.231 1
1 683 . 6 1 1 A 51 51 LEU N N 51 118.197 116.209 1.988 1
1 684 . 6 1 1 A 52 52 ARG H H 52 8.013 7.866 0.147 1
1 685 . 6 1 1 A 52 52 ARG HA H 52 4.334 4.136 0.198 1
1 692 . 6 1 1 A 52 52 ARG C C 52 176.658 176.273 0.385 1
1 693 . 6 1 1 A 52 52 ARG CA C 52 55.923 58.427 -2.504 1
1 694 . 6 1 1 A 52 52 ARG CB C 52 31.086 30.049 1.037 1
1 697 . 6 1 1 A 52 52 ARG N N 52 119.899 120.630 -0.731 1
1 698 . 6 1 1 A 53 53 THR H H 53 8.187 7.482 0.705 1
1 699 . 6 1 1 A 53 53 THR HA H 53 4.345 4.567 -0.222 1
1 704 . 6 1 1 A 53 53 THR C C 53 173.892 172.365 1.527 1
1 705 . 6 1 1 A 53 53 THR CA C 53 60.611 61.385 -0.774 1
1 706 . 6 1 1 A 53 53 THR CB C 53 69.514 68.898 0.616 1
1 708 . 6 1 1 A 53 53 THR N N 53 113.907 113.294 0.613 1
1 709 . 6 1 1 A 54 54 ASP H H 54 8.430 8.334 0.096 1
1 710 . 6 1 1 A 54 54 ASP HA H 54 4.810 5.222 -0.412 1
1 713 . 6 1 1 A 54 54 ASP C C 54 174.082 173.100 0.982 1
1 714 . 6 1 1 A 54 54 ASP CA C 54 52.578 51.639 0.939 1
1 715 . 6 1 1 A 54 54 ASP CB C 54 39.685 41.812 -2.127 1
1 716 . 6 1 1 A 54 54 ASP N N 54 123.174 126.357 -3.183 1
1 717 . 6 1 1 A 55 55 PRO HA H 55 4.561 4.593 -0.032 1
1 724 . 6 1 1 A 55 55 PRO C C 55 177.127 176.683 0.444 1
1 725 . 6 1 1 A 55 55 PRO CA C 55 62.958 62.542 0.416 1
1 726 . 6 1 1 A 55 55 PRO CB C 55 32.013 32.237 -0.224 1
1 729 . 6 1 1 A 56 56 TRP H H 56 8.721 7.569 1.152 1
1 730 . 6 1 1 A 56 56 TRP HA H 56 4.351 4.968 -0.617 1
1 739 . 6 1 1 A 56 56 TRP C C 56 177.127 174.924 2.203 1
1 740 . 6 1 1 A 56 56 TRP CA C 56 57.796 56.209 1.587 1
1 741 . 6 1 1 A 56 56 TRP CB C 56 28.732 31.390 -2.658 1
1 747 . 6 1 1 A 56 56 TRP N N 56 124.713 120.730 3.983 1
1 749 . 6 1 1 A 57 57 SER H H 57 9.085 8.631 0.454 1
1 750 . 6 1 1 A 57 57 SER HA H 57 4.957 4.892 0.065 1
1 753 . 6 1 1 A 57 57 SER C C 57 173.562 173.794 -0.232 1
1 754 . 6 1 1 A 57 57 SER CA C 57 55.852 55.943 -0.091 1
1 755 . 6 1 1 A 57 57 SER CB C 57 63.824 65.495 -1.671 1
1 756 . 6 1 1 A 57 57 SER N N 57 122.041 115.505 6.536 1
1 757 . 6 1 1 A 58 58 PRO HA H 58 4.444 4.272 0.172 1
1 764 . 6 1 1 A 58 58 PRO C C 58 179.777 178.699 1.078 1
1 765 . 6 1 1 A 58 58 PRO CA C 58 65.071 65.139 -0.068 1
1 766 . 6 1 1 A 58 58 PRO CB C 58 31.546 31.924 -0.378 1
1 769 . 6 1 1 A 59 59 GLU H H 59 8.788 8.582 0.206 1
1 770 . 6 1 1 A 59 59 GLU HA H 59 4.088 4.085 0.003 1
1 775 . 6 1 1 A 59 59 GLU C C 59 179.656 179.022 0.634 1
1 776 . 6 1 1 A 59 59 GLU CA C 59 60.373 59.825 0.548 1
1 777 . 6 1 1 A 59 59 GLU CB C 59 28.505 29.123 -0.618 1
1 779 . 6 1 1 A 59 59 GLU N N 59 117.546 117.184 0.362 1
1 780 . 6 1 1 A 60 60 GLU H H 60 7.977 8.251 -0.274 1
1 781 . 6 1 1 A 60 60 GLU HA H 60 4.015 4.065 -0.050 1
1 786 . 6 1 1 A 60 60 GLU C C 60 178.440 178.829 -0.389 1
1 787 . 6 1 1 A 60 60 GLU CA C 60 59.913 59.102 0.811 1
1 788 . 6 1 1 A 60 60 GLU CB C 60 31.541 29.212 2.329 1
1 790 . 6 1 1 A 60 60 GLU N N 60 122.264 119.870 2.394 1
1 791 . 6 1 1 A 61 61 ASP H H 61 8.267 8.240 0.027 1
1 792 . 6 1 1 A 61 61 ASP HA H 61 4.654 4.447 0.207 1
1 795 . 6 1 1 A 61 61 ASP C C 61 179.469 178.635 0.834 1
1 796 . 6 1 1 A 61 61 ASP CA C 61 57.562 57.637 -0.075 1
1 797 . 6 1 1 A 61 61 ASP CB C 61 39.987 41.636 -1.649 1
1 798 . 6 1 1 A 61 61 ASP N N 61 120.543 120.252 0.291 1
1 799 . 6 1 1 A 62 62 MET H H 62 8.139 8.435 -0.296 1
1 800 . 6 1 1 A 62 62 MET HA H 62 4.284 4.220 0.064 1
1 805 . 6 1 1 A 62 62 MET C C 62 178.811 178.204 0.607 1
1 806 . 6 1 1 A 62 62 MET CA C 62 58.505 58.690 -0.185 1
1 807 . 6 1 1 A 62 62 MET CB C 62 32.251 32.531 -0.280 1
1 809 . 6 1 1 A 62 62 MET N N 62 119.343 117.952 1.391 1
1 810 . 6 1 1 A 63 63 LEU H H 63 7.959 7.602 0.357 1
1 811 . 6 1 1 A 63 63 LEU HA H 63 4.212 4.096 0.116 1
1 821 . 6 1 1 A 63 63 LEU C C 63 177.642 178.296 -0.654 1
1 822 . 6 1 1 A 63 63 LEU CA C 63 57.562 57.150 0.412 1
1 823 . 6 1 1 A 63 63 LEU CB C 63 42.096 41.821 0.275 1
1 827 . 6 1 1 A 63 63 LEU N N 63 122.676 121.047 1.629 1
1 828 . 6 1 1 A 64 64 LEU H H 64 8.784 8.425 0.359 1
1 829 . 6 1 1 A 64 64 LEU HA H 64 4.119 4.108 0.011 1
1 839 . 6 1 1 A 64 64 LEU C C 64 177.515 178.091 -0.576 1
1 840 . 6 1 1 A 64 64 LEU CA C 64 58.738 57.316 1.422 1
1 841 . 6 1 1 A 64 64 LEU CB C 64 41.395 42.347 -0.952 1
1 845 . 6 1 1 A 64 64 LEU N N 64 120.877 119.961 0.916 1
1 846 . 6 1 1 A 65 65 ASP H H 65 8.085 8.926 -0.841 1
1 847 . 6 1 1 A 65 65 ASP HA H 65 4.630 4.559 0.071 1
1 850 . 6 1 1 A 65 65 ASP C C 65 179.391 178.632 0.759 1
1 851 . 6 1 1 A 65 65 ASP CA C 65 57.566 57.435 0.131 1
1 852 . 6 1 1 A 65 65 ASP CB C 65 41.626 41.799 -0.173 1
1 853 . 6 1 1 A 65 65 ASP N N 65 118.583 119.332 -0.749 1
1 854 . 6 1 1 A 66 66 GLN H H 66 8.336 7.977 0.359 1
1 855 . 6 1 1 A 66 66 GLN HA H 66 4.050 4.044 0.006 1
1 862 . 6 1 1 A 66 66 GLN C C 66 179.565 178.362 1.203 1
1 863 . 6 1 1 A 66 66 GLN CA C 66 58.739 59.095 -0.356 1
1 864 . 6 1 1 A 66 66 GLN CB C 66 28.502 28.813 -0.311 1
1 866 . 6 1 1 A 66 66 GLN N N 66 118.725 119.131 -0.406 1
1 868 . 6 1 1 A 67 67 LYS H H 67 9.126 7.506 1.620 1
1 869 . 6 1 1 A 67 67 LYS HA H 67 4.142 4.175 -0.033 1
1 878 . 6 1 1 A 67 67 LYS C C 67 178.671 178.704 -0.033 1
1 879 . 6 1 1 A 67 67 LYS CA C 67 56.156 58.823 -2.667 1
1 880 . 6 1 1 A 67 67 LYS CB C 67 31.550 32.698 -1.148 1
1 884 . 6 1 1 A 67 67 LYS N N 67 117.220 119.218 -1.998 1
1 885 . 6 1 1 A 68 68 TYR H H 68 9.361 8.875 0.486 1
1 886 . 6 1 1 A 68 68 TYR HA H 68 3.819 4.148 -0.329 1
1 893 . 6 1 1 A 68 68 TYR C C 68 179.235 177.878 1.357 1
1 894 . 6 1 1 A 68 68 TYR CA C 68 61.547 62.038 -0.491 1
1 895 . 6 1 1 A 68 68 TYR CB C 68 37.881 38.869 -0.988 1
1 900 . 6 1 1 A 68 68 TYR N N 68 123.884 120.760 3.124 1
1 901 . 6 1 1 A 69 69 ALA H H 69 7.810 8.021 -0.211 1
1 902 . 6 1 1 A 69 69 ALA HA H 69 3.980 4.024 -0.044 1
1 906 . 6 1 1 A 69 69 ALA C C 69 178.673 178.980 -0.307 1
1 907 . 6 1 1 A 69 69 ALA CA C 69 54.755 55.231 -0.476 1
1 908 . 6 1 1 A 69 69 ALA CB C 69 17.253 18.604 -1.351 1
1 909 . 6 1 1 A 69 69 ALA N N 69 121.733 121.575 0.158 1
1 910 . 6 1 1 A 70 70 GLU H H 70 7.091 8.113 -1.022 1
1 911 . 6 1 1 A 70 70 GLU HA H 70 3.848 4.145 -0.297 1
1 916 . 6 1 1 A 70 70 GLU C C 70 178.018 178.196 -0.178 1
1 917 . 6 1 1 A 70 70 GLU CA C 70 58.566 58.383 0.183 1
1 918 . 6 1 1 A 70 70 GLU CB C 70 30.609 30.539 0.070 1
1 920 . 6 1 1 A 70 70 GLU N N 70 115.850 117.097 -1.247 1
1 921 . 6 1 1 A 71 71 TYR H H 71 8.270 8.461 -0.191 1
1 922 . 6 1 1 A 71 71 TYR HA H 71 4.537 4.212 0.325 1
1 929 . 6 1 1 A 71 71 TYR C C 71 177.174 176.280 0.894 1
1 930 . 6 1 1 A 71 71 TYR CA C 71 57.796 60.589 -2.793 1
1 931 . 6 1 1 A 71 71 TYR CB C 71 40.219 38.767 1.452 1
1 936 . 6 1 1 A 71 71 TYR N N 71 114.509 118.262 -3.753 1
1 937 . 6 1 1 A 72 72 GLY H H 72 8.417 7.981 0.436 1
1 938 . 6 1 1 A 72 72 GLY HA2 H 72 3.720 2.965 0.755 1
1 939 . 6 1 1 A 72 72 GLY HA3 H 72 2.255 3.656 -1.401 1
1 940 . 6 1 1 A 72 72 GLY C C 72 172.111 174.245 -2.134 1
1 941 . 6 1 1 A 72 72 GLY CA C 72 43.439 43.770 -0.331 1
1 942 . 6 1 1 A 72 72 GLY N N 72 111.509 106.606 4.903 1
1 943 . 6 1 1 A 73 73 PRO HA H 73 2.587 2.732 -0.145 1
1 950 . 6 1 1 A 73 73 PRO C C 73 175.393 175.024 0.369 1
1 951 . 6 1 1 A 73 73 PRO CA C 73 62.018 62.854 -0.836 1
1 952 . 6 1 1 A 73 73 PRO CB C 73 28.033 30.957 -2.924 1
1 955 . 6 1 1 A 74 74 LYS H H 74 8.065 8.200 -0.135 1
1 956 . 6 1 1 A 74 74 LYS HA H 74 4.259 4.265 -0.006 1
1 965 . 6 1 1 A 74 74 LYS C C 74 177.220 176.309 0.911 1
1 966 . 6 1 1 A 74 74 LYS CA C 74 52.641 54.607 -1.966 1
1 967 . 6 1 1 A 74 74 LYS CB C 74 30.145 30.177 -0.032 1
1 971 . 6 1 1 A 74 74 LYS N N 74 125.996 118.489 7.507 1
1 972 . 6 1 1 A 75 75 TRP H H 75 6.735 6.955 -0.220 1
1 973 . 6 1 1 A 75 75 TRP HA H 75 4.305 4.415 -0.110 1
1 982 . 6 1 1 A 75 75 TRP C C 75 177.174 178.363 -1.189 1
1 983 . 6 1 1 A 75 75 TRP CA C 75 58.969 60.165 -1.196 1
1 984 . 6 1 1 A 75 75 TRP CB C 75 29.668 28.607 1.061 1
1 990 . 6 1 1 A 75 75 TRP N N 75 122.056 121.798 0.258 1
1 992 . 6 1 1 A 76 76 ASN H H 76 8.732 8.177 0.555 1
1 993 . 6 1 1 A 76 76 ASN HA H 76 4.606 4.539 0.067 1
1 998 . 6 1 1 A 76 76 ASN C C 76 177.830 177.787 0.043 1
1 999 . 6 1 1 A 76 76 ASN CA C 76 55.925 56.340 -0.415 1
1 1000 . 6 1 1 A 76 76 ASN CB C 76 37.876 38.022 -0.146 1
1 1001 . 6 1 1 A 76 76 ASN N N 76 114.266 119.351 -5.085 1
1 1003 . 6 1 1 A 77 77 LYS H H 77 7.401 7.952 -0.551 1
1 1004 . 6 1 1 A 77 77 LYS HA H 77 3.979 3.968 0.011 1
1 1013 . 6 1 1 A 77 77 LYS C C 77 178.859 178.995 -0.136 1
1 1014 . 6 1 1 A 77 77 LYS CA C 77 57.800 58.454 -0.654 1
1 1015 . 6 1 1 A 77 77 LYS CB C 77 31.545 32.464 -0.919 1
1 1019 . 6 1 1 A 77 77 LYS N N 77 120.857 120.210 0.647 1
1 1020 . 6 1 1 A 78 78 ILE H H 78 7.754 7.808 -0.054 1
1 1021 . 6 1 1 A 78 78 ILE HA H 78 3.679 3.689 -0.010 1
1 1031 . 6 1 1 A 78 78 ILE C C 78 178.202 177.921 0.281 1
1 1032 . 6 1 1 A 78 78 ILE CA C 78 65.997 65.480 0.517 1
1 1033 . 6 1 1 A 78 78 ILE CB C 78 38.343 38.199 0.144 1
1 1037 . 6 1 1 A 78 78 ILE N N 78 118.290 121.309 -3.019 1
1 1038 . 6 1 1 A 79 79 SER H H 79 8.386 8.657 -0.271 1
1 1039 . 6 1 1 A 79 79 SER HA H 79 4.049 4.245 -0.196 1
1 1042 . 6 1 1 A 79 79 SER C C 79 175.627 176.503 -0.876 1
1 1043 . 6 1 1 A 79 79 SER CA C 79 61.084 61.537 -0.453 1
1 1044 . 6 1 1 A 79 79 SER CB C 79 62.720 62.633 0.087 1
1 1045 . 6 1 1 A 79 79 SER N N 79 114.363 114.932 -0.569 1
1 1046 . 6 1 1 A 80 80 LYS H H 80 7.017 7.784 -0.767 1
1 1047 . 6 1 1 A 80 80 LYS HA H 80 4.005 4.130 -0.125 1
1 1056 . 6 1 1 A 80 80 LYS C C 80 177.361 177.704 -0.343 1
1 1057 . 6 1 1 A 80 80 LYS CA C 80 57.098 57.806 -0.708 1
1 1058 . 6 1 1 A 80 80 LYS CB C 80 31.083 32.359 -1.276 1
1 1062 . 6 1 1 A 80 80 LYS N N 80 118.534 120.695 -2.161 1
1 1063 . 6 1 1 A 81 81 PHE H H 81 7.932 8.092 -0.160 1
1 1064 . 6 1 1 A 81 81 PHE HA H 81 4.467 4.358 0.109 1
1 1071 . 6 1 1 A 81 81 PHE C C 81 174.969 177.331 -2.362 1
1 1072 . 6 1 1 A 81 81 PHE CA C 81 58.500 60.427 -1.927 1
1 1073 . 6 1 1 A 81 81 PHE CB C 81 39.516 38.975 0.541 1
1 1078 . 6 1 1 A 81 81 PHE N N 81 114.880 117.515 -2.635 1
1 1079 . 6 1 1 A 82 82 LEU H H 82 7.487 7.260 0.227 1
1 1080 . 6 1 1 A 82 82 LEU HA H 82 4.666 4.290 0.376 1
1 1090 . 6 1 1 A 82 82 LEU C C 82 175.107 177.403 -2.296 1
1 1091 . 6 1 1 A 82 82 LEU CA C 82 52.875 56.501 -3.626 1
1 1092 . 6 1 1 A 82 82 LEU CB C 82 42.802 42.158 0.644 1
1 1096 . 6 1 1 A 82 82 LEU N N 82 122.945 118.902 4.043 1
1 1097 . 6 1 1 A 83 83 LYS H H 83 8.256 8.009 0.247 1
1 1098 . 6 1 1 A 83 83 LYS HA H 83 4.120 3.968 0.152 1
1 1107 . 6 1 1 A 83 83 LYS C C 83 176.236 176.609 -0.373 1
1 1108 . 6 1 1 A 83 83 LYS CA C 83 56.630 57.672 -1.042 1
1 1109 . 6 1 1 A 83 83 LYS CB C 83 31.786 32.013 -0.227 1
1 1113 . 6 1 1 A 83 83 LYS N N 83 118.856 119.065 -0.209 1
1 1114 . 6 1 1 A 84 84 ASN H H 84 8.684 8.258 0.426 1
1 1115 . 6 1 1 A 84 84 ASN HA H 84 4.304 4.859 -0.555 1
1 1120 . 6 1 1 A 84 84 ASN C C 84 173.846 174.852 -1.006 1
1 1121 . 6 1 1 A 84 84 ASN CA C 84 53.816 53.257 0.559 1
1 1122 . 6 1 1 A 84 84 ASN CB C 84 37.176 40.500 -3.324 1
1 1123 . 6 1 1 A 84 84 ASN N N 84 116.099 116.417 -0.318 1
1 1125 . 6 1 1 A 85 85 ARG H H 85 7.665 7.755 -0.090 1
1 1126 . 6 1 1 A 85 85 ARG HA H 85 4.675 4.779 -0.104 1
1 1132 . 6 1 1 A 85 85 ARG C C 85 175.529 175.099 0.430 1
1 1133 . 6 1 1 A 85 85 ARG CA C 85 53.112 54.175 -1.063 1
1 1134 . 6 1 1 A 85 85 ARG CB C 85 31.783 33.632 -1.849 1
1 1137 . 6 1 1 A 85 85 ARG N N 85 116.162 117.989 -1.827 1
1 1139 . 6 1 1 A 86 86 SER H H 86 8.864 8.260 0.604 1
1 1140 . 6 1 1 A 86 86 SER HA H 86 4.488 5.212 -0.724 1
1 1143 . 6 1 1 A 86 86 SER C C 86 174.407 174.782 -0.375 1
1 1144 . 6 1 1 A 86 86 SER CA C 86 57.093 55.900 1.193 1
1 1145 . 6 1 1 A 86 86 SER CB C 86 64.840 66.447 -1.607 1
1 1146 . 6 1 1 A 86 86 SER N N 86 119.204 111.754 7.450 1
1 1147 . 6 1 1 A 87 87 ASP H H 87 8.784 8.634 0.150 1
1 1148 . 6 1 1 A 87 87 ASP HA H 87 4.095 4.418 -0.323 1
1 1151 . 6 1 1 A 87 87 ASP C C 87 178.111 178.457 -0.346 1
1 1152 . 6 1 1 A 87 87 ASP CA C 87 57.801 57.019 0.782 1
1 1153 . 6 1 1 A 87 87 ASP CB C 87 39.056 39.718 -0.662 1
1 1154 . 6 1 1 A 87 87 ASP N N 87 121.415 120.803 0.612 1
1 1155 . 6 1 1 A 88 88 ASN H H 88 8.491 7.948 0.543 1
1 1156 . 6 1 1 A 88 88 ASN HA H 88 4.166 4.392 -0.226 1
1 1161 . 6 1 1 A 88 88 ASN C C 88 176.842 177.598 -0.756 1
1 1162 . 6 1 1 A 88 88 ASN CA C 88 55.458 55.731 -0.273 1
1 1163 . 6 1 1 A 88 88 ASN CB C 88 38.103 37.909 0.194 1
1 1164 . 6 1 1 A 88 88 ASN N N 88 115.811 119.210 -3.399 1
1 1166 . 6 1 1 A 89 89 ASN H H 89 7.959 7.808 0.151 1
1 1167 . 6 1 1 A 89 89 ASN HA H 89 4.422 4.496 -0.074 1
1 1172 . 6 1 1 A 89 89 ASN C C 89 178.159 177.854 0.305 1
1 1173 . 6 1 1 A 89 89 ASN CA C 89 56.632 55.768 0.864 1
1 1174 . 6 1 1 A 89 89 ASN CB C 89 39.749 38.868 0.881 1
1 1175 . 6 1 1 A 89 89 ASN N N 89 120.679 116.978 3.701 1
1 1177 . 6 1 1 A 90 90 ILE H H 90 8.373 8.239 0.134 1
1 1178 . 6 1 1 A 90 90 ILE HA H 90 3.840 3.936 -0.096 1
1 1188 . 6 1 1 A 90 90 ILE C C 90 176.191 177.690 -1.499 1
1 1189 . 6 1 1 A 90 90 ILE CA C 90 65.298 65.111 0.187 1
1 1190 . 6 1 1 A 90 90 ILE CB C 90 38.109 37.541 0.568 1
1 1194 . 6 1 1 A 90 90 ILE N N 90 120.840 119.534 1.306 1
1 1195 . 6 1 1 A 91 91 ARG H H 91 7.749 8.498 -0.749 1
1 1196 . 6 1 1 A 91 91 ARG HA H 91 2.077 2.924 -0.847 1
1 1203 . 6 1 1 A 91 91 ARG C C 91 178.063 178.191 -0.128 1
1 1204 . 6 1 1 A 91 91 ARG CA C 91 58.500 58.868 -0.368 1
1 1205 . 6 1 1 A 91 91 ARG CB C 91 28.969 29.822 -0.853 1
1 1208 . 6 1 1 A 91 91 ARG N N 91 120.230 120.171 0.059 1
1 1209 . 6 1 1 A 92 92 ASN H H 92 7.959 7.840 0.119 1
1 1210 . 6 1 1 A 92 92 ASN HA H 92 4.167 4.427 -0.260 1
1 1215 . 6 1 1 A 92 92 ASN C C 92 177.689 177.826 -0.137 1
1 1216 . 6 1 1 A 92 92 ASN CA C 92 55.640 56.080 -0.440 1
1 1217 . 6 1 1 A 92 92 ASN CB C 92 37.644 38.663 -1.019 1
1 1218 . 6 1 1 A 92 92 ASN N N 92 115.405 117.772 -2.367 1
1 1220 . 6 1 1 A 93 93 ARG H H 93 7.872 8.482 -0.610 1
1 1221 . 6 1 1 A 93 93 ARG HA H 93 3.610 3.819 -0.209 1
1 1229 . 6 1 1 A 93 93 ARG C C 93 177.737 179.074 -1.337 1
1 1230 . 6 1 1 A 93 93 ARG CA C 93 57.263 59.033 -1.770 1
1 1231 . 6 1 1 A 93 93 ARG CB C 93 29.141 29.942 -0.801 1
1 1234 . 6 1 1 A 93 93 ARG N N 93 122.360 118.745 3.615 1
1 1236 . 6 1 1 A 94 94 TRP H H 94 8.411 8.908 -0.497 1
1 1237 . 6 1 1 A 94 94 TRP HA H 94 3.818 4.367 -0.549 1
1 1241 . 6 1 1 A 94 94 TRP N N 94 119.510 122.134 -2.624 1
1 1243 . 6 1 1 A 95 95 MET HA H 95 3.725 4.335 -0.610 1
1 1246 . 6 1 1 A 95 95 MET C C 95 178.580 178.449 0.131 1
1 1247 . 6 1 1 A 95 95 MET CA C 95 57.807 58.459 -0.652 1
1 1248 . 6 1 1 A 95 95 MET CB C 95 32.023 32.323 -0.300 1
1 1249 . 6 1 1 A 96 96 MET H H 96 7.580 7.603 -0.023 1
1 1250 . 6 1 1 A 96 96 MET HA H 96 3.980 4.235 -0.255 1
1 1255 . 6 1 1 A 96 96 MET C C 96 178.344 177.920 0.424 1
1 1256 . 6 1 1 A 96 96 MET CA C 96 58.033 57.802 0.231 1
1 1257 . 6 1 1 A 96 96 MET CB C 96 31.783 32.335 -0.552 1
1 1259 . 6 1 1 A 96 96 MET N N 96 118.340 118.900 -0.560 1
1 1260 . 6 1 1 A 97 97 ILE H H 97 7.884 8.146 -0.262 1
1 1261 . 6 1 1 A 97 97 ILE HA H 97 3.583 3.749 -0.166 1
1 1271 . 6 1 1 A 97 97 ILE C C 97 178.154 177.743 0.411 1
1 1272 . 6 1 1 A 97 97 ILE CA C 97 63.656 63.606 0.050 1
1 1273 . 6 1 1 A 97 97 ILE CB C 97 37.637 36.618 1.019 1
1 1277 . 6 1 1 A 97 97 ILE N N 97 120.158 118.681 1.477 1
1 1278 . 6 1 1 A 98 98 ALA H H 98 8.064 8.346 -0.282 1
1 1279 . 6 1 1 A 98 98 ALA HA H 98 3.515 3.577 -0.062 1
1 1283 . 6 1 1 A 98 98 ALA C C 98 180.224 178.605 1.619 1
1 1284 . 6 1 1 A 98 98 ALA CA C 98 54.283 54.042 0.241 1
1 1285 . 6 1 1 A 98 98 ALA CB C 98 17.251 17.588 -0.337 1
1 1286 . 6 1 1 A 98 98 ALA N N 98 123.446 122.770 0.676 1
1 1287 . 6 1 1 A 99 99 ARG H H 99 7.623 7.558 0.065 1
1 1288 . 6 1 1 A 99 99 ARG HA H 99 3.934 4.033 -0.099 1
1 1295 . 6 1 1 A 99 99 ARG C C 99 177.923 178.581 -0.658 1
1 1296 . 6 1 1 A 99 99 ARG CA C 99 57.968 57.654 0.314 1
1 1297 . 6 1 1 A 99 99 ARG CB C 99 29.606 30.236 -0.630 1
1 1300 . 6 1 1 A 99 99 ARG N N 99 117.538 117.238 0.300 1
1 1301 . 6 1 1 A 100 100 HIS H H 100 7.797 8.218 -0.421 1
1 1302 . 6 1 1 A 100 100 HIS HA H 100 4.409 4.144 0.265 1
1 1307 . 6 1 1 A 100 100 HIS C C 100 176.575 176.964 -0.389 1
1 1308 . 6 1 1 A 100 100 HIS CA C 100 57.109 59.131 -2.022 1
1 1309 . 6 1 1 A 100 100 HIS CB C 100 29.204 29.701 -0.497 1
1 1312 . 6 1 1 A 100 100 HIS N N 100 118.311 121.351 -3.040 1
1 1313 . 6 1 1 A 101 101 ARG H H 101 8.057 7.784 0.273 1
1 1314 . 6 1 1 A 101 101 ARG HA H 101 4.062 3.847 0.215 1
1 1321 . 6 1 1 A 101 101 ARG C C 101 177.220 178.233 -1.013 1
1 1322 . 6 1 1 A 101 101 ARG CA C 101 57.556 58.601 -1.045 1
1 1323 . 6 1 1 A 101 101 ARG CB C 101 30.157 29.604 0.553 1
1 1326 . 6 1 1 A 101 101 ARG N N 101 119.935 118.369 1.566 1
1 1327 . 6 1 1 A 102 102 ALA H H 102 7.917 7.872 0.045 1
1 1328 . 6 1 1 A 102 102 ALA HA H 102 4.167 4.108 0.059 1
1 1332 . 6 1 1 A 102 102 ALA C C 102 178.532 177.350 1.182 1
1 1333 . 6 1 1 A 102 102 ALA CA C 102 53.103 53.337 -0.234 1
1 1334 . 6 1 1 A 102 102 ALA CB C 102 18.447 18.008 0.439 1
1 1335 . 6 1 1 A 102 102 ALA N N 102 122.678 121.366 1.312 1
1 1336 . 6 1 1 A 103 103 LYS H H 103 7.884 7.652 0.232 1
1 1337 . 6 1 1 A 103 103 LYS HA H 103 4.121 4.149 -0.028 1
1 1346 . 6 1 1 A 103 103 LYS C C 103 177.080 177.602 -0.522 1
1 1347 . 6 1 1 A 103 103 LYS CA C 103 56.856 57.885 -1.029 1
1 1348 . 6 1 1 A 103 103 LYS CB C 103 32.480 32.554 -0.074 1
1 1352 . 6 1 1 A 103 103 LYS N N 103 118.773 117.039 1.734 1
1 1353 . 6 1 1 A 104 104 HIS H H 104 8.118 7.183 0.935 1
1 1354 . 6 1 1 A 104 104 HIS HA H 104 4.560 4.759 -0.199 1
1 1359 . 6 1 1 A 104 104 HIS C C 104 175.204 176.435 -1.231 1
1 1360 . 6 1 1 A 104 104 HIS CA C 104 55.932 55.634 0.298 1
1 1361 . 6 1 1 A 104 104 HIS CB C 104 29.448 32.047 -2.599 1
1 1364 . 6 1 1 A 104 104 HIS N N 104 118.685 113.974 4.711 1
1 1365 . 6 1 1 A 105 105 GLN H H 105 8.233 7.870 0.363 1
1 1366 . 6 1 1 A 105 105 GLN HA H 105 4.218 4.086 0.132 1
1 1373 . 6 1 1 A 105 105 GLN C C 105 176.172 178.472 -2.300 1
1 1374 . 6 1 1 A 105 105 GLN CA C 105 56.130 58.637 -2.507 1
1 1375 . 6 1 1 A 105 105 GLN CB C 105 28.976 28.405 0.571 1
1 1377 . 6 1 1 A 105 105 GLN N N 105 121.104 119.398 1.706 1
1 1379 . 6 1 1 A 106 106 LYS H H 106 8.346 8.081 0.265 1
1 1380 . 6 1 1 A 106 106 LYS HA H 106 4.239 4.123 0.116 1
1 1389 . 6 1 1 A 106 106 LYS C C 106 177.022 178.940 -1.918 1
1 1390 . 6 1 1 A 106 106 LYS CA C 106 56.647 58.330 -1.683 1
1 1391 . 6 1 1 A 106 106 LYS CB C 106 32.481 32.249 0.232 1
1 1395 . 6 1 1 A 106 106 LYS N N 106 122.274 119.205 3.069 1
1 16 . 7 1 1 A 2 2 VAL H H 2 8.319 8.340 -0.021 1
1 17 . 7 1 1 A 2 2 VAL HA H 2 4.096 4.197 -0.101 1
1 25 . 7 1 1 A 2 2 VAL C C 2 176.167 176.283 -0.116 1
1 26 . 7 1 1 A 2 2 VAL CA C 2 67.781 61.019 6.762 1
1 27 . 7 1 1 A 2 2 VAL CB C 2 32.484 33.341 -0.857 1
1 30 . 7 1 1 A 2 2 VAL N N 2 122.596 116.997 5.599 1
1 31 . 7 1 1 A 3 3 LYS H H 3 8.470 8.350 0.120 1
1 32 . 7 1 1 A 3 3 LYS HA H 3 4.327 4.301 0.026 1
1 41 . 7 1 1 A 3 3 LYS C C 3 176.713 176.756 -0.043 1
1 42 . 7 1 1 A 3 3 LYS CA C 3 56.391 57.737 -1.346 1
1 43 . 7 1 1 A 3 3 LYS CB C 3 32.723 33.237 -0.514 1
1 47 . 7 1 1 A 3 3 LYS N N 3 127.359 120.614 6.745 1
1 48 . 7 1 1 A 4 4 PHE H H 4 8.471 7.410 1.061 1
1 49 . 7 1 1 A 4 4 PHE HA H 4 4.491 4.533 -0.042 1
1 57 . 7 1 1 A 4 4 PHE C C 4 177.923 175.164 2.759 1
1 58 . 7 1 1 A 4 4 PHE CA C 4 57.566 57.118 0.448 1
1 59 . 7 1 1 A 4 4 PHE CB C 4 39.751 39.514 0.237 1
1 65 . 7 1 1 A 4 4 PHE N N 4 125.570 117.419 8.151 1
1 66 . 7 1 1 A 5 5 THR H H 5 8.880 8.447 0.433 1
1 67 . 7 1 1 A 5 5 THR HA H 5 4.490 4.612 -0.122 1
1 72 . 7 1 1 A 5 5 THR C C 5 175.297 176.096 -0.799 1
1 73 . 7 1 1 A 5 5 THR CA C 5 60.140 60.485 -0.345 1
1 74 . 7 1 1 A 5 5 THR CB C 5 70.922 70.461 0.461 1
1 76 . 7 1 1 A 5 5 THR N N 5 114.601 115.603 -1.002 1
1 77 . 7 1 1 A 6 6 GLU H H 6 9.000 9.123 -0.123 1
1 78 . 7 1 1 A 6 6 GLU HA H 6 4.142 4.146 -0.004 1
1 83 . 7 1 1 A 6 6 GLU C C 6 179.326 178.530 0.796 1
1 84 . 7 1 1 A 6 6 GLU CA C 6 59.675 59.395 0.280 1
1 85 . 7 1 1 A 6 6 GLU CB C 6 29.203 29.233 -0.030 1
1 87 . 7 1 1 A 6 6 GLU N N 6 121.577 124.825 -3.248 1
1 88 . 7 1 1 A 7 7 GLU H H 7 8.658 8.736 -0.078 1
1 89 . 7 1 1 A 7 7 GLU HA H 7 4.026 4.020 0.006 1
1 94 . 7 1 1 A 7 7 GLU C C 7 179.616 179.731 -0.115 1
1 95 . 7 1 1 A 7 7 GLU CA C 7 59.683 59.474 0.209 1
1 96 . 7 1 1 A 7 7 GLU CB C 7 28.972 29.342 -0.370 1
1 98 . 7 1 1 A 7 7 GLU N N 7 118.231 119.567 -1.336 1
1 99 . 7 1 1 A 8 8 GLU H H 8 7.930 8.222 -0.292 1
1 100 . 7 1 1 A 8 8 GLU HA H 8 3.955 4.126 -0.171 1
1 105 . 7 1 1 A 8 8 GLU C C 8 178.395 178.783 -0.388 1
1 106 . 7 1 1 A 8 8 GLU CA C 8 59.672 59.207 0.465 1
1 107 . 7 1 1 A 8 8 GLU CB C 8 31.318 29.631 1.687 1
1 109 . 7 1 1 A 8 8 GLU N N 8 121.169 120.201 0.968 1
1 110 . 7 1 1 A 9 9 ASP H H 9 8.507 8.082 0.425 1
1 111 . 7 1 1 A 9 9 ASP HA H 9 4.677 4.243 0.434 1
1 114 . 7 1 1 A 9 9 ASP C C 9 179.329 177.881 1.448 1
1 115 . 7 1 1 A 9 9 ASP CA C 9 57.562 57.032 0.530 1
1 116 . 7 1 1 A 9 9 ASP CB C 9 40.217 41.463 -1.246 1
1 117 . 7 1 1 A 9 9 ASP N N 9 121.164 120.160 1.004 1
1 118 . 7 1 1 A 10 10 LEU H H 10 8.042 7.654 0.388 1
1 119 . 7 1 1 A 10 10 LEU HA H 10 4.143 4.081 0.062 1
1 129 . 7 1 1 A 10 10 LEU C C 10 179.329 178.844 0.485 1
1 130 . 7 1 1 A 10 10 LEU CA C 10 57.796 57.368 0.428 1
1 131 . 7 1 1 A 10 10 LEU CB C 10 41.392 41.228 0.164 1
1 135 . 7 1 1 A 10 10 LEU N N 10 120.628 119.614 1.014 1
1 136 . 7 1 1 A 11 11 LYS H H 11 8.040 8.500 -0.460 1
1 137 . 7 1 1 A 11 11 LYS HA H 11 4.049 3.979 0.070 1
1 146 . 7 1 1 A 11 11 LYS C C 11 178.345 179.119 -0.774 1
1 147 . 7 1 1 A 11 11 LYS CA C 11 59.199 60.560 -1.361 1
1 148 . 7 1 1 A 11 11 LYS CB C 11 32.488 32.454 0.034 1
1 152 . 7 1 1 A 11 11 LYS N N 11 121.016 118.772 2.244 1
1 153 . 7 1 1 A 12 12 LEU H H 12 8.865 8.183 0.682 1
1 154 . 7 1 1 A 12 12 LEU HA H 12 4.258 3.929 0.329 1
1 164 . 7 1 1 A 12 12 LEU C C 12 178.298 179.217 -0.919 1
1 165 . 7 1 1 A 12 12 LEU CA C 12 58.500 57.901 0.599 1
1 166 . 7 1 1 A 12 12 LEU CB C 12 41.389 41.398 -0.009 1
1 169 . 7 1 1 A 12 12 LEU N N 12 120.138 120.319 -0.181 1
1 170 . 7 1 1 A 13 13 GLN H H 13 8.400 7.813 0.587 1
1 171 . 7 1 1 A 13 13 GLN HA H 13 4.097 3.990 0.107 1
1 178 . 7 1 1 A 13 13 GLN C C 13 178.254 177.936 0.318 1
1 179 . 7 1 1 A 13 13 GLN CA C 13 59.693 59.346 0.347 1
1 180 . 7 1 1 A 13 13 GLN CB C 13 28.733 28.296 0.437 1
1 182 . 7 1 1 A 13 13 GLN N N 13 117.136 118.420 -1.284 1
1 184 . 7 1 1 A 14 14 GLN H H 14 8.175 7.605 0.570 1
1 185 . 7 1 1 A 14 14 GLN HA H 14 3.980 4.159 -0.179 1
1 192 . 7 1 1 A 14 14 GLN C C 14 179.518 178.575 0.943 1
1 193 . 7 1 1 A 14 14 GLN CA C 14 58.745 58.111 0.634 1
1 194 . 7 1 1 A 14 14 GLN CB C 14 28.034 28.924 -0.890 1
1 196 . 7 1 1 A 14 14 GLN N N 14 117.947 118.129 -0.182 1
1 198 . 7 1 1 A 15 15 LEU H H 15 8.721 8.566 0.155 1
1 199 . 7 1 1 A 15 15 LEU HA H 15 4.143 3.923 0.220 1
1 209 . 7 1 1 A 15 15 LEU C C 15 178.956 179.078 -0.122 1
1 210 . 7 1 1 A 15 15 LEU CA C 15 57.562 58.053 -0.491 1
1 211 . 7 1 1 A 15 15 LEU CB C 15 42.801 42.264 0.537 1
1 215 . 7 1 1 A 15 15 LEU N N 15 120.641 120.059 0.582 1
1 216 . 7 1 1 A 16 16 VAL H H 16 8.603 8.545 0.058 1
1 217 . 7 1 1 A 16 16 VAL HA H 16 3.230 3.368 -0.138 1
1 225 . 7 1 1 A 16 16 VAL C C 16 179.988 178.061 1.927 1
1 226 . 7 1 1 A 16 16 VAL CA C 16 65.733 66.927 -1.194 1
1 227 . 7 1 1 A 16 16 VAL CB C 16 30.609 31.354 -0.745 1
1 230 . 7 1 1 A 16 16 VAL N N 16 120.873 117.645 3.228 1
1 231 . 7 1 1 A 17 17 MET H H 17 8.058 8.206 -0.148 1
1 232 . 7 1 1 A 17 17 MET HA H 17 4.050 4.177 -0.127 1
1 237 . 7 1 1 A 17 17 MET C C 17 177.501 178.421 -0.920 1
1 238 . 7 1 1 A 17 17 MET CA C 17 58.270 58.065 0.205 1
1 239 . 7 1 1 A 17 17 MET CB C 17 31.784 32.195 -0.411 1
1 241 . 7 1 1 A 17 17 MET N N 17 119.240 120.077 -0.837 1
1 242 . 7 1 1 A 18 18 ARG H H 18 7.406 7.825 -0.419 1
1 243 . 7 1 1 A 18 18 ARG HA H 18 3.957 3.897 0.060 1
1 250 . 7 1 1 A 18 18 ARG C C 18 177.691 177.367 0.324 1
1 251 . 7 1 1 A 18 18 ARG CA C 18 58.301 58.243 0.058 1
1 252 . 7 1 1 A 18 18 ARG CB C 18 30.842 29.730 1.112 1
1 255 . 7 1 1 A 18 18 ARG N N 18 117.487 120.567 -3.080 1
1 256 . 7 1 1 A 19 19 TYR H H 19 8.571 7.481 1.090 1
1 257 . 7 1 1 A 19 19 TYR HA H 19 4.490 4.478 0.012 1
1 264 . 7 1 1 A 19 19 TYR C C 19 176.706 175.805 0.901 1
1 265 . 7 1 1 A 19 19 TYR CA C 19 58.739 57.680 1.059 1
1 266 . 7 1 1 A 19 19 TYR CB C 19 39.044 38.467 0.577 1
1 271 . 7 1 1 A 19 19 TYR N N 19 115.284 115.464 -0.180 1
1 272 . 7 1 1 A 20 20 GLY H H 20 8.148 9.404 -1.256 1
1 273 . 7 1 1 A 20 20 GLY HA2 H 20 3.609 3.873 -0.264 1
1 274 . 7 1 1 A 20 20 GLY HA3 H 20 4.137 3.893 0.244 1
1 275 . 7 1 1 A 20 20 GLY C C 20 171.784 173.725 -1.941 1
1 276 . 7 1 1 A 20 20 GLY CA C 20 43.972 46.419 -2.447 1
1 277 . 7 1 1 A 20 20 GLY N N 20 110.830 108.593 2.237 1
1 278 . 7 1 1 A 21 21 ALA H H 21 7.886 7.577 0.309 1
1 279 . 7 1 1 A 21 21 ALA HA H 21 3.400 3.989 -0.589 1
1 283 . 7 1 1 A 21 21 ALA C C 21 176.002 176.844 -0.842 1
1 284 . 7 1 1 A 21 21 ALA CA C 21 49.825 51.044 -1.219 1
1 285 . 7 1 1 A 21 21 ALA CB C 21 17.960 18.347 -0.387 1
1 286 . 7 1 1 A 21 21 ALA N N 21 119.337 122.004 -2.667 1
1 287 . 7 1 1 A 22 22 LYS H H 22 7.424 7.615 -0.191 1
1 288 . 7 1 1 A 22 22 LYS HA H 22 4.258 4.560 -0.302 1
1 297 . 7 1 1 A 22 22 LYS C C 22 175.769 176.145 -0.376 1
1 298 . 7 1 1 A 22 22 LYS CA C 22 55.921 56.406 -0.485 1
1 299 . 7 1 1 A 22 22 LYS CB C 22 33.371 34.420 -1.049 1
1 303 . 7 1 1 A 22 22 LYS N N 22 115.793 114.308 1.485 1
1 304 . 7 1 1 A 23 23 ASP H H 23 7.724 7.503 0.221 1
1 305 . 7 1 1 A 23 23 ASP HA H 23 4.700 4.907 -0.207 1
1 308 . 7 1 1 A 23 23 ASP C C 23 176.142 176.220 -0.078 1
1 309 . 7 1 1 A 23 23 ASP CA C 23 51.704 52.977 -1.273 1
1 310 . 7 1 1 A 23 23 ASP CB C 23 39.514 40.696 -1.182 1
1 311 . 7 1 1 A 23 23 ASP N N 23 119.398 118.540 0.858 1
1 312 . 7 1 1 A 24 24 TRP H H 24 8.035 7.710 0.325 1
1 313 . 7 1 1 A 24 24 TRP HA H 24 4.258 4.282 -0.024 1
1 322 . 7 1 1 A 24 24 TRP C C 24 178.252 178.350 -0.098 1
1 323 . 7 1 1 A 24 24 TRP CA C 24 58.736 59.843 -1.107 1
1 324 . 7 1 1 A 24 24 TRP CB C 24 28.970 28.671 0.299 1
1 330 . 7 1 1 A 24 24 TRP N N 24 123.130 120.313 2.817 1
1 332 . 7 1 1 A 25 25 ILE H H 25 8.092 7.796 0.296 1
1 333 . 7 1 1 A 25 25 ILE HA H 25 3.724 3.820 -0.096 1
1 343 . 7 1 1 A 25 25 ILE C C 25 177.806 177.729 0.077 1
1 344 . 7 1 1 A 25 25 ILE CA C 25 65.060 64.695 0.365 1
1 345 . 7 1 1 A 25 25 ILE CB C 25 36.234 37.308 -1.074 1
1 349 . 7 1 1 A 25 25 ILE N N 25 121.518 115.572 5.946 1
1 350 . 7 1 1 A 26 26 ARG H H 26 7.503 7.699 -0.196 1
1 351 . 7 1 1 A 26 26 ARG HA H 26 3.864 3.973 -0.109 1
1 358 . 7 1 1 A 26 26 ARG C C 26 178.303 178.568 -0.265 1
1 359 . 7 1 1 A 26 26 ARG CA C 26 58.267 58.635 -0.368 1
1 360 . 7 1 1 A 26 26 ARG CB C 26 29.680 29.685 -0.005 1
1 363 . 7 1 1 A 26 26 ARG N N 26 122.119 120.973 1.146 1
1 364 . 7 1 1 A 27 27 ILE H H 27 7.340 7.637 -0.297 1
1 365 . 7 1 1 A 27 27 ILE HA H 27 3.450 3.704 -0.254 1
1 375 . 7 1 1 A 27 27 ILE C C 27 177.689 178.450 -0.761 1
1 376 . 7 1 1 A 27 27 ILE CA C 27 63.893 65.221 -1.328 1
1 377 . 7 1 1 A 27 27 ILE CB C 27 36.474 37.297 -0.823 1
1 381 . 7 1 1 A 27 27 ILE N N 27 115.446 119.999 -4.553 1
1 382 . 7 1 1 A 28 28 SER H H 28 8.203 8.046 0.157 1
1 383 . 7 1 1 A 28 28 SER HA H 28 4.144 4.297 -0.153 1
1 386 . 7 1 1 A 28 28 SER C C 28 177.220 177.063 0.157 1
1 387 . 7 1 1 A 28 28 SER CA C 28 61.085 61.455 -0.370 1
1 388 . 7 1 1 A 28 28 SER CB C 28 63.421 63.037 0.384 1
1 389 . 7 1 1 A 28 28 SER N N 28 113.324 116.913 -3.589 1
1 390 . 7 1 1 A 29 29 GLN H H 29 8.177 7.478 0.699 1
1 391 . 7 1 1 A 29 29 GLN HA H 29 4.003 4.069 -0.066 1
1 398 . 7 1 1 A 29 29 GLN C C 29 178.910 179.028 -0.118 1
1 399 . 7 1 1 A 29 29 GLN CA C 29 58.503 58.885 -0.382 1
1 400 . 7 1 1 A 29 29 GLN CB C 29 27.796 28.141 -0.345 1
1 402 . 7 1 1 A 29 29 GLN N N 29 120.561 121.519 -0.958 1
1 404 . 7 1 1 A 30 30 LEU H H 30 7.494 7.525 -0.031 1
1 405 . 7 1 1 A 30 30 LEU HA H 30 4.258 3.945 0.313 1
1 415 . 7 1 1 A 30 30 LEU C C 30 178.956 177.275 1.681 1
1 416 . 7 1 1 A 30 30 LEU CA C 30 55.675 57.521 -1.846 1
1 417 . 7 1 1 A 30 30 LEU CB C 30 42.559 41.455 1.104 1
1 421 . 7 1 1 A 30 30 LEU N N 30 118.106 120.067 -1.961 1
1 422 . 7 1 1 A 31 31 MET H H 31 8.399 7.250 1.149 1
1 423 . 7 1 1 A 31 31 MET HA H 31 4.329 4.839 -0.510 1
1 428 . 7 1 1 A 31 31 MET C C 31 179.515 175.971 3.544 1
1 429 . 7 1 1 A 31 31 MET CA C 31 55.921 54.276 1.645 1
1 430 . 7 1 1 A 31 31 MET CB C 31 31.310 31.853 -0.543 1
1 432 . 7 1 1 A 31 31 MET N N 31 120.008 115.703 4.305 1
1 433 . 7 1 1 A 32 32 ILE H H 32 8.177 8.123 0.054 1
1 434 . 7 1 1 A 32 32 ILE HA H 32 3.423 4.153 -0.730 1
1 444 . 7 1 1 A 32 32 ILE C C 32 179.473 177.512 1.961 1
1 445 . 7 1 1 A 32 32 ILE CA C 32 67.639 63.125 4.514 1
1 446 . 7 1 1 A 32 32 ILE CB C 32 35.767 37.803 -2.036 1
1 450 . 7 1 1 A 32 32 ILE N N 32 114.338 119.756 -5.418 1
1 451 . 7 1 1 A 33 33 THR H H 33 8.957 7.750 1.207 1
1 452 . 7 1 1 A 33 33 THR HA H 33 4.143 4.253 -0.110 1
1 457 . 7 1 1 A 33 33 THR C C 33 174.361 174.419 -0.058 1
1 458 . 7 1 1 A 33 33 THR CA C 33 62.251 63.691 -1.440 1
1 459 . 7 1 1 A 33 33 THR CB C 33 68.581 68.898 -0.317 1
1 461 . 7 1 1 A 33 33 THR N N 33 110.164 115.760 -5.596 1
1 462 . 7 1 1 A 34 34 ARG H H 34 6.509 7.513 -1.004 1
1 463 . 7 1 1 A 34 34 ARG HA H 34 4.862 4.869 -0.007 1
1 470 . 7 1 1 A 34 34 ARG C C 34 174.922 174.565 0.357 1
1 471 . 7 1 1 A 34 34 ARG CA C 34 51.939 54.478 -2.539 1
1 472 . 7 1 1 A 34 34 ARG CB C 34 36.061 33.389 2.672 1
1 475 . 7 1 1 A 34 34 ARG N N 34 116.058 118.530 -2.472 1
1 476 . 7 1 1 A 35 35 ASN H H 35 8.733 9.284 -0.551 1
1 477 . 7 1 1 A 35 35 ASN HA H 35 4.810 5.036 -0.226 1
1 482 . 7 1 1 A 35 35 ASN C C 35 173.986 175.586 -1.600 1
1 483 . 7 1 1 A 35 35 ASN CA C 35 52.107 51.702 0.405 1
1 484 . 7 1 1 A 35 35 ASN CB C 35 36.636 38.113 -1.477 1
1 485 . 7 1 1 A 35 35 ASN N N 35 122.840 118.416 4.424 1
1 487 . 7 1 1 A 36 36 PRO HA H 36 4.197 4.599 -0.402 1
1 494 . 7 1 1 A 36 36 PRO C C 36 178.019 178.713 -0.694 1
1 495 . 7 1 1 A 36 36 PRO CA C 36 67.412 65.733 1.679 1
1 496 . 7 1 1 A 36 36 PRO CB C 36 32.018 31.898 0.120 1
1 499 . 7 1 1 A 37 37 ARG H H 37 7.804 8.527 -0.723 1
1 500 . 7 1 1 A 37 37 ARG HA H 37 3.749 3.894 -0.145 1
1 507 . 7 1 1 A 37 37 ARG C C 37 178.300 178.952 -0.652 1
1 508 . 7 1 1 A 37 37 ARG CA C 37 59.202 58.884 0.318 1
1 509 . 7 1 1 A 37 37 ARG CB C 37 29.435 29.515 -0.080 1
1 512 . 7 1 1 A 37 37 ARG N N 37 117.759 117.658 0.101 1
1 513 . 7 1 1 A 38 38 GLN H H 38 8.682 8.616 0.066 1
1 514 . 7 1 1 A 38 38 GLN HA H 38 4.043 4.265 -0.222 1
1 521 . 7 1 1 A 38 38 GLN C C 38 180.078 178.608 1.470 1
1 522 . 7 1 1 A 38 38 GLN CA C 38 58.506 59.082 -0.576 1
1 523 . 7 1 1 A 38 38 GLN CB C 38 29.431 28.484 0.947 1
1 525 . 7 1 1 A 38 38 GLN N N 38 117.504 118.957 -1.453 1
1 527 . 7 1 1 A 39 39 CYS H H 39 8.095 7.908 0.187 1
1 528 . 7 1 1 A 39 39 CYS HA H 39 4.059 4.265 -0.206 1
1 531 . 7 1 1 A 39 39 CYS C C 39 173.893 177.102 -3.209 1
1 532 . 7 1 1 A 39 39 CYS CA C 39 64.592 63.178 1.414 1
1 533 . 7 1 1 A 39 39 CYS CB C 39 27.328 26.714 0.614 1
1 534 . 7 1 1 A 39 39 CYS N N 39 116.291 118.605 -2.314 1
1 535 . 7 1 1 A 40 40 ARG H H 40 7.589 7.564 0.025 1
1 536 . 7 1 1 A 40 40 ARG HA H 40 1.821 2.678 -0.857 1
1 543 . 7 1 1 A 40 40 ARG C C 40 178.204 178.799 -0.595 1
1 544 . 7 1 1 A 40 40 ARG CA C 40 58.264 58.930 -0.666 1
1 545 . 7 1 1 A 40 40 ARG CB C 40 29.440 29.305 0.135 1
1 548 . 7 1 1 A 40 40 ARG N N 40 121.272 122.154 -0.882 1
1 549 . 7 1 1 A 41 41 GLU H H 41 8.352 8.197 0.155 1
1 550 . 7 1 1 A 41 41 GLU HA H 41 3.817 3.983 -0.166 1
1 555 . 7 1 1 A 41 41 GLU C C 41 178.718 179.618 -0.900 1
1 556 . 7 1 1 A 41 41 GLU CA C 41 58.971 59.440 -0.469 1
1 557 . 7 1 1 A 41 41 GLU CB C 41 28.972 29.321 -0.349 1
1 559 . 7 1 1 A 41 41 GLU N N 41 117.034 117.422 -0.388 1
1 560 . 7 1 1 A 42 42 ARG H H 42 7.755 7.652 0.103 1
1 561 . 7 1 1 A 42 42 ARG HA H 42 3.931 4.502 -0.571 1
1 568 . 7 1 1 A 42 42 ARG C C 42 179.333 178.574 0.759 1
1 569 . 7 1 1 A 42 42 ARG CA C 42 57.261 59.801 -2.540 1
1 570 . 7 1 1 A 42 42 ARG CB C 42 29.610 30.028 -0.418 1
1 573 . 7 1 1 A 42 42 ARG N N 42 119.603 120.001 -0.398 1
1 574 . 7 1 1 A 43 43 TRP H H 43 8.199 8.051 0.148 1
1 575 . 7 1 1 A 43 43 TRP HA H 43 4.292 4.365 -0.073 1
1 579 . 7 1 1 A 43 43 TRP C C 43 176.705 178.389 -1.684 1
1 580 . 7 1 1 A 43 43 TRP CA C 43 57.006 61.328 -4.322 1
1 581 . 7 1 1 A 43 43 TRP CB C 43 29.620 29.700 -0.080 1
1 582 . 7 1 1 A 43 43 TRP N N 43 119.355 122.296 -2.941 1
1 584 . 7 1 1 A 44 44 ASN H H 44 8.478 8.383 0.095 1
1 585 . 7 1 1 A 44 44 ASN HA H 44 4.177 4.206 -0.029 1
1 590 . 7 1 1 A 44 44 ASN C C 44 176.986 177.432 -0.446 1
1 591 . 7 1 1 A 44 44 ASN CA C 44 55.457 56.011 -0.554 1
1 592 . 7 1 1 A 44 44 ASN CB C 44 38.347 37.615 0.732 1
1 593 . 7 1 1 A 44 44 ASN N N 44 113.530 117.383 -3.853 1
1 595 . 7 1 1 A 45 45 ASN H H 45 8.060 8.454 -0.394 1
1 596 . 7 1 1 A 45 45 ASN HA H 45 4.630 4.553 0.077 1
1 601 . 7 1 1 A 45 45 ASN C C 45 175.347 175.744 -0.397 1
1 602 . 7 1 1 A 45 45 ASN CA C 45 53.350 53.894 -0.544 1
1 603 . 7 1 1 A 45 45 ASN CB C 45 39.047 36.961 2.086 1
1 604 . 7 1 1 A 45 45 ASN N N 45 112.540 115.732 -3.192 1
1 606 . 7 1 1 A 46 46 TYR H H 46 7.443 8.063 -0.620 1
1 607 . 7 1 1 A 46 46 TYR HA H 46 4.447 5.154 -0.707 1
1 614 . 7 1 1 A 46 46 TYR C C 46 175.439 175.108 0.331 1
1 615 . 7 1 1 A 46 46 TYR CA C 46 60.074 59.309 0.765 1
1 616 . 7 1 1 A 46 46 TYR CB C 46 40.383 40.573 -0.190 1
1 621 . 7 1 1 A 46 46 TYR N N 46 117.403 119.462 -2.059 1
1 622 . 7 1 1 A 47 47 ILE HA H 47 3.786 4.765 -0.979 1
1 632 . 7 1 1 A 47 47 ILE C C 47 175.440 174.091 1.349 1
1 633 . 7 1 1 A 47 47 ILE CA C 47 62.240 59.374 2.866 1
1 634 . 7 1 1 A 47 47 ILE CB C 47 38.670 41.101 -2.431 1
1 638 . 7 1 1 A 48 48 ASN H H 48 7.922 8.886 -0.964 1
1 639 . 7 1 1 A 48 48 ASN HA H 48 3.795 4.909 -1.114 1
1 642 . 7 1 1 A 48 48 ASN C C 48 174.640 175.617 -0.977 1
1 643 . 7 1 1 A 48 48 ASN N N 48 119.990 121.897 -1.907 1
1 645 . 7 1 1 A 49 49 PRO HA H 49 4.166 4.473 -0.307 1
1 652 . 7 1 1 A 49 49 PRO C C 49 177.408 176.569 0.839 1
1 653 . 7 1 1 A 49 49 PRO CA C 49 64.124 63.466 0.658 1
1 654 . 7 1 1 A 49 49 PRO CB C 49 31.313 32.318 -1.005 1
1 657 . 7 1 1 A 50 50 ALA H H 50 7.595 7.987 -0.392 1
1 658 . 7 1 1 A 50 50 ALA HA H 50 4.128 4.050 0.078 1
1 662 . 7 1 1 A 50 50 ALA C C 50 178.251 177.516 0.735 1
1 663 . 7 1 1 A 50 50 ALA CA C 50 52.642 53.108 -0.466 1
1 664 . 7 1 1 A 50 50 ALA CB C 50 18.422 17.329 1.093 1
1 665 . 7 1 1 A 50 50 ALA N N 50 120.036 120.255 -0.219 1
1 666 . 7 1 1 A 51 51 LEU H H 51 7.586 8.070 -0.484 1
1 667 . 7 1 1 A 51 51 LEU HA H 51 4.119 4.631 -0.512 1
1 677 . 7 1 1 A 51 51 LEU C C 51 177.686 178.085 -0.399 1
1 678 . 7 1 1 A 51 51 LEU CA C 51 55.219 54.151 1.068 1
1 679 . 7 1 1 A 51 51 LEU CB C 51 41.883 41.864 0.019 1
1 683 . 7 1 1 A 51 51 LEU N N 51 118.197 116.061 2.136 1
1 684 . 7 1 1 A 52 52 ARG H H 52 8.013 7.884 0.129 1
1 685 . 7 1 1 A 52 52 ARG HA H 52 4.334 4.070 0.264 1
1 692 . 7 1 1 A 52 52 ARG C C 52 176.658 176.212 0.446 1
1 693 . 7 1 1 A 52 52 ARG CA C 52 55.923 58.563 -2.640 1
1 694 . 7 1 1 A 52 52 ARG CB C 52 31.086 30.208 0.878 1
1 697 . 7 1 1 A 52 52 ARG N N 52 119.899 120.293 -0.394 1
1 698 . 7 1 1 A 53 53 THR H H 53 8.187 7.559 0.628 1
1 699 . 7 1 1 A 53 53 THR HA H 53 4.345 4.660 -0.315 1
1 704 . 7 1 1 A 53 53 THR C C 53 173.892 172.607 1.285 1
1 705 . 7 1 1 A 53 53 THR CA C 53 60.611 61.559 -0.948 1
1 706 . 7 1 1 A 53 53 THR CB C 53 69.514 69.902 -0.388 1
1 708 . 7 1 1 A 53 53 THR N N 53 113.907 111.095 2.812 1
1 709 . 7 1 1 A 54 54 ASP H H 54 8.430 8.972 -0.542 1
1 710 . 7 1 1 A 54 54 ASP HA H 54 4.810 5.206 -0.396 1
1 713 . 7 1 1 A 54 54 ASP C C 54 174.082 174.224 -0.142 1
1 714 . 7 1 1 A 54 54 ASP CA C 54 52.578 51.659 0.919 1
1 715 . 7 1 1 A 54 54 ASP CB C 54 39.685 41.308 -1.623 1
1 716 . 7 1 1 A 54 54 ASP N N 54 123.174 128.367 -5.193 1
1 717 . 7 1 1 A 55 55 PRO HA H 55 4.561 4.192 0.369 1
1 724 . 7 1 1 A 55 55 PRO C C 55 177.127 176.393 0.734 1
1 725 . 7 1 1 A 55 55 PRO CA C 55 62.958 63.119 -0.161 1
1 726 . 7 1 1 A 55 55 PRO CB C 55 32.013 31.971 0.042 1
1 729 . 7 1 1 A 56 56 TRP H H 56 8.721 7.463 1.258 1
1 730 . 7 1 1 A 56 56 TRP HA H 56 4.351 4.959 -0.608 1
1 739 . 7 1 1 A 56 56 TRP C C 56 177.127 175.731 1.396 1
1 740 . 7 1 1 A 56 56 TRP CA C 56 57.796 55.967 1.829 1
1 741 . 7 1 1 A 56 56 TRP CB C 56 28.732 31.319 -2.587 1
1 747 . 7 1 1 A 56 56 TRP N N 56 124.713 120.168 4.545 1
1 749 . 7 1 1 A 57 57 SER H H 57 9.085 8.855 0.230 1
1 750 . 7 1 1 A 57 57 SER HA H 57 4.957 4.920 0.037 1
1 753 . 7 1 1 A 57 57 SER C C 57 173.562 174.688 -1.126 1
1 754 . 7 1 1 A 57 57 SER CA C 57 55.852 56.289 -0.437 1
1 755 . 7 1 1 A 57 57 SER CB C 57 63.824 65.316 -1.492 1
1 756 . 7 1 1 A 57 57 SER N N 57 122.041 114.901 7.140 1
1 757 . 7 1 1 A 58 58 PRO HA H 58 4.444 4.387 0.057 1
1 764 . 7 1 1 A 58 58 PRO C C 58 179.777 178.556 1.221 1
1 765 . 7 1 1 A 58 58 PRO CA C 58 65.071 64.787 0.284 1
1 766 . 7 1 1 A 58 58 PRO CB C 58 31.546 31.955 -0.409 1
1 769 . 7 1 1 A 59 59 GLU H H 59 8.788 8.492 0.296 1
1 770 . 7 1 1 A 59 59 GLU HA H 59 4.088 4.090 -0.002 1
1 775 . 7 1 1 A 59 59 GLU C C 59 179.656 179.128 0.528 1
1 776 . 7 1 1 A 59 59 GLU CA C 59 60.373 59.959 0.414 1
1 777 . 7 1 1 A 59 59 GLU CB C 59 28.505 29.050 -0.545 1
1 779 . 7 1 1 A 59 59 GLU N N 59 117.546 117.933 -0.387 1
1 780 . 7 1 1 A 60 60 GLU H H 60 7.977 7.983 -0.006 1
1 781 . 7 1 1 A 60 60 GLU HA H 60 4.015 3.998 0.017 1
1 786 . 7 1 1 A 60 60 GLU C C 60 178.440 178.596 -0.156 1
1 787 . 7 1 1 A 60 60 GLU CA C 60 59.913 58.930 0.983 1
1 788 . 7 1 1 A 60 60 GLU CB C 60 31.541 28.742 2.799 1
1 790 . 7 1 1 A 60 60 GLU N N 60 122.264 119.504 2.760 1
1 791 . 7 1 1 A 61 61 ASP H H 61 8.267 8.179 0.088 1
1 792 . 7 1 1 A 61 61 ASP HA H 61 4.654 4.462 0.192 1
1 795 . 7 1 1 A 61 61 ASP C C 61 179.469 178.625 0.844 1
1 796 . 7 1 1 A 61 61 ASP CA C 61 57.562 57.507 0.055 1
1 797 . 7 1 1 A 61 61 ASP CB C 61 39.987 41.473 -1.486 1
1 798 . 7 1 1 A 61 61 ASP N N 61 120.543 120.271 0.272 1
1 799 . 7 1 1 A 62 62 MET H H 62 8.139 8.457 -0.318 1
1 800 . 7 1 1 A 62 62 MET HA H 62 4.284 4.221 0.063 1
1 805 . 7 1 1 A 62 62 MET C C 62 178.811 178.202 0.609 1
1 806 . 7 1 1 A 62 62 MET CA C 62 58.505 58.681 -0.176 1
1 807 . 7 1 1 A 62 62 MET CB C 62 32.251 32.474 -0.223 1
1 809 . 7 1 1 A 62 62 MET N N 62 119.343 118.149 1.194 1
1 810 . 7 1 1 A 63 63 LEU H H 63 7.959 7.595 0.364 1
1 811 . 7 1 1 A 63 63 LEU HA H 63 4.212 4.058 0.154 1
1 821 . 7 1 1 A 63 63 LEU C C 63 177.642 178.270 -0.628 1
1 822 . 7 1 1 A 63 63 LEU CA C 63 57.562 57.194 0.368 1
1 823 . 7 1 1 A 63 63 LEU CB C 63 42.096 41.806 0.290 1
1 827 . 7 1 1 A 63 63 LEU N N 63 122.676 120.789 1.887 1
1 828 . 7 1 1 A 64 64 LEU H H 64 8.784 8.347 0.437 1
1 829 . 7 1 1 A 64 64 LEU HA H 64 4.119 4.048 0.071 1
1 839 . 7 1 1 A 64 64 LEU C C 64 177.515 178.036 -0.521 1
1 840 . 7 1 1 A 64 64 LEU CA C 64 58.738 57.942 0.796 1
1 841 . 7 1 1 A 64 64 LEU CB C 64 41.395 41.468 -0.073 1
1 845 . 7 1 1 A 64 64 LEU N N 64 120.877 120.151 0.726 1
1 846 . 7 1 1 A 65 65 ASP H H 65 8.085 8.462 -0.377 1
1 847 . 7 1 1 A 65 65 ASP HA H 65 4.630 4.424 0.206 1
1 850 . 7 1 1 A 65 65 ASP C C 65 179.391 178.265 1.126 1
1 851 . 7 1 1 A 65 65 ASP CA C 65 57.566 57.656 -0.090 1
1 852 . 7 1 1 A 65 65 ASP CB C 65 41.626 42.169 -0.543 1
1 853 . 7 1 1 A 65 65 ASP N N 65 118.583 119.136 -0.553 1
1 854 . 7 1 1 A 66 66 GLN H H 66 8.336 7.843 0.493 1
1 855 . 7 1 1 A 66 66 GLN HA H 66 4.050 4.158 -0.108 1
1 862 . 7 1 1 A 66 66 GLN C C 66 179.565 178.605 0.960 1
1 863 . 7 1 1 A 66 66 GLN CA C 66 58.739 58.369 0.370 1
1 864 . 7 1 1 A 66 66 GLN CB C 66 28.502 28.604 -0.102 1
1 866 . 7 1 1 A 66 66 GLN N N 66 118.725 117.696 1.029 1
1 868 . 7 1 1 A 67 67 LYS H H 67 9.126 7.658 1.468 1
1 869 . 7 1 1 A 67 67 LYS HA H 67 4.142 4.139 0.003 1
1 878 . 7 1 1 A 67 67 LYS C C 67 178.671 178.815 -0.144 1
1 879 . 7 1 1 A 67 67 LYS CA C 67 56.156 58.945 -2.789 1
1 880 . 7 1 1 A 67 67 LYS CB C 67 31.550 32.690 -1.140 1
1 884 . 7 1 1 A 67 67 LYS N N 67 117.220 120.207 -2.987 1
1 885 . 7 1 1 A 68 68 TYR H H 68 9.361 8.656 0.705 1
1 886 . 7 1 1 A 68 68 TYR HA H 68 3.819 4.175 -0.356 1
1 893 . 7 1 1 A 68 68 TYR C C 68 179.235 177.798 1.437 1
1 894 . 7 1 1 A 68 68 TYR CA C 68 61.547 61.943 -0.396 1
1 895 . 7 1 1 A 68 68 TYR CB C 68 37.881 38.777 -0.896 1
1 900 . 7 1 1 A 68 68 TYR N N 68 123.884 120.872 3.012 1
1 901 . 7 1 1 A 69 69 ALA H H 69 7.810 7.976 -0.166 1
1 902 . 7 1 1 A 69 69 ALA HA H 69 3.980 3.991 -0.011 1
1 906 . 7 1 1 A 69 69 ALA C C 69 178.673 179.126 -0.453 1
1 907 . 7 1 1 A 69 69 ALA CA C 69 54.755 55.212 -0.457 1
1 908 . 7 1 1 A 69 69 ALA CB C 69 17.253 18.519 -1.266 1
1 909 . 7 1 1 A 69 69 ALA N N 69 121.733 121.692 0.041 1
1 910 . 7 1 1 A 70 70 GLU H H 70 7.091 7.563 -0.472 1
1 911 . 7 1 1 A 70 70 GLU HA H 70 3.848 4.130 -0.282 1
1 916 . 7 1 1 A 70 70 GLU C C 70 178.018 178.116 -0.098 1
1 917 . 7 1 1 A 70 70 GLU CA C 70 58.566 58.374 0.192 1
1 918 . 7 1 1 A 70 70 GLU CB C 70 30.609 30.483 0.126 1
1 920 . 7 1 1 A 70 70 GLU N N 70 115.850 117.405 -1.555 1
1 921 . 7 1 1 A 71 71 TYR H H 71 8.270 8.517 -0.247 1
1 922 . 7 1 1 A 71 71 TYR HA H 71 4.537 4.209 0.328 1
1 929 . 7 1 1 A 71 71 TYR C C 71 177.174 176.197 0.977 1
1 930 . 7 1 1 A 71 71 TYR CA C 71 57.796 60.576 -2.780 1
1 931 . 7 1 1 A 71 71 TYR CB C 71 40.219 38.694 1.525 1
1 936 . 7 1 1 A 71 71 TYR N N 71 114.509 118.296 -3.787 1
1 937 . 7 1 1 A 72 72 GLY H H 72 8.417 7.920 0.497 1
1 938 . 7 1 1 A 72 72 GLY HA2 H 72 3.720 3.026 0.694 1
1 939 . 7 1 1 A 72 72 GLY HA3 H 72 2.255 3.661 -1.406 1
1 940 . 7 1 1 A 72 72 GLY C C 72 172.111 174.232 -2.121 1
1 941 . 7 1 1 A 72 72 GLY CA C 72 43.439 43.799 -0.360 1
1 942 . 7 1 1 A 72 72 GLY N N 72 111.509 106.467 5.042 1
1 943 . 7 1 1 A 73 73 PRO HA H 73 2.587 2.669 -0.082 1
1 950 . 7 1 1 A 73 73 PRO C C 73 175.393 175.076 0.317 1
1 951 . 7 1 1 A 73 73 PRO CA C 73 62.018 62.749 -0.731 1
1 952 . 7 1 1 A 73 73 PRO CB C 73 28.033 30.787 -2.754 1
1 955 . 7 1 1 A 74 74 LYS H H 74 8.065 8.268 -0.203 1
1 956 . 7 1 1 A 74 74 LYS HA H 74 4.259 4.424 -0.165 1
1 965 . 7 1 1 A 74 74 LYS C C 74 177.220 176.233 0.987 1
1 966 . 7 1 1 A 74 74 LYS CA C 74 52.641 54.507 -1.866 1
1 967 . 7 1 1 A 74 74 LYS CB C 74 30.145 30.165 -0.020 1
1 971 . 7 1 1 A 74 74 LYS N N 74 125.996 118.492 7.504 1
1 972 . 7 1 1 A 75 75 TRP H H 75 6.735 7.052 -0.317 1
1 973 . 7 1 1 A 75 75 TRP HA H 75 4.305 4.392 -0.087 1
1 982 . 7 1 1 A 75 75 TRP C C 75 177.174 177.905 -0.731 1
1 983 . 7 1 1 A 75 75 TRP CA C 75 58.969 60.231 -1.262 1
1 984 . 7 1 1 A 75 75 TRP CB C 75 29.668 28.608 1.060 1
1 990 . 7 1 1 A 75 75 TRP N N 75 122.056 122.042 0.014 1
1 992 . 7 1 1 A 76 76 ASN H H 76 8.732 8.726 0.006 1
1 993 . 7 1 1 A 76 76 ASN HA H 76 4.606 4.416 0.190 1
1 998 . 7 1 1 A 76 76 ASN C C 76 177.830 177.145 0.685 1
1 999 . 7 1 1 A 76 76 ASN CA C 76 55.925 55.816 0.109 1
1 1000 . 7 1 1 A 76 76 ASN CB C 76 37.876 37.473 0.403 1
1 1001 . 7 1 1 A 76 76 ASN N N 76 114.266 117.129 -2.863 1
1 1003 . 7 1 1 A 77 77 LYS H H 77 7.401 8.167 -0.766 1
1 1004 . 7 1 1 A 77 77 LYS HA H 77 3.979 3.961 0.018 1
1 1013 . 7 1 1 A 77 77 LYS C C 77 178.859 179.033 -0.174 1
1 1014 . 7 1 1 A 77 77 LYS CA C 77 57.800 58.404 -0.604 1
1 1015 . 7 1 1 A 77 77 LYS CB C 77 31.545 32.439 -0.894 1
1 1019 . 7 1 1 A 77 77 LYS N N 77 120.857 118.136 2.721 1
1 1020 . 7 1 1 A 78 78 ILE H H 78 7.754 7.769 -0.015 1
1 1021 . 7 1 1 A 78 78 ILE HA H 78 3.679 3.668 0.011 1
1 1031 . 7 1 1 A 78 78 ILE C C 78 178.202 177.899 0.303 1
1 1032 . 7 1 1 A 78 78 ILE CA C 78 65.997 65.504 0.493 1
1 1033 . 7 1 1 A 78 78 ILE CB C 78 38.343 38.103 0.240 1
1 1037 . 7 1 1 A 78 78 ILE N N 78 118.290 121.195 -2.905 1
1 1038 . 7 1 1 A 79 79 SER H H 79 8.386 8.552 -0.166 1
1 1039 . 7 1 1 A 79 79 SER HA H 79 4.049 4.244 -0.195 1
1 1042 . 7 1 1 A 79 79 SER C C 79 175.627 176.556 -0.929 1
1 1043 . 7 1 1 A 79 79 SER CA C 79 61.084 61.538 -0.454 1
1 1044 . 7 1 1 A 79 79 SER CB C 79 62.720 62.645 0.075 1
1 1045 . 7 1 1 A 79 79 SER N N 79 114.363 114.943 -0.580 1
1 1046 . 7 1 1 A 80 80 LYS H H 80 7.017 7.944 -0.927 1
1 1047 . 7 1 1 A 80 80 LYS HA H 80 4.005 4.097 -0.092 1
1 1056 . 7 1 1 A 80 80 LYS C C 80 177.361 177.335 0.026 1
1 1057 . 7 1 1 A 80 80 LYS CA C 80 57.098 57.913 -0.815 1
1 1058 . 7 1 1 A 80 80 LYS CB C 80 31.083 32.276 -1.193 1
1 1062 . 7 1 1 A 80 80 LYS N N 80 118.534 121.255 -2.721 1
1 1063 . 7 1 1 A 81 81 PHE H H 81 7.932 8.266 -0.334 1
1 1064 . 7 1 1 A 81 81 PHE HA H 81 4.467 4.346 0.121 1
1 1071 . 7 1 1 A 81 81 PHE C C 81 174.969 177.316 -2.347 1
1 1072 . 7 1 1 A 81 81 PHE CA C 81 58.500 60.124 -1.624 1
1 1073 . 7 1 1 A 81 81 PHE CB C 81 39.516 39.131 0.385 1
1 1078 . 7 1 1 A 81 81 PHE N N 81 114.880 117.438 -2.558 1
1 1079 . 7 1 1 A 82 82 LEU H H 82 7.487 7.190 0.297 1
1 1080 . 7 1 1 A 82 82 LEU HA H 82 4.666 4.271 0.395 1
1 1090 . 7 1 1 A 82 82 LEU C C 82 175.107 177.391 -2.284 1
1 1091 . 7 1 1 A 82 82 LEU CA C 82 52.875 56.596 -3.721 1
1 1092 . 7 1 1 A 82 82 LEU CB C 82 42.802 42.172 0.630 1
1 1096 . 7 1 1 A 82 82 LEU N N 82 122.945 118.936 4.009 1
1 1097 . 7 1 1 A 83 83 LYS H H 83 8.256 8.186 0.070 1
1 1098 . 7 1 1 A 83 83 LYS HA H 83 4.120 3.944 0.176 1
1 1107 . 7 1 1 A 83 83 LYS C C 83 176.236 176.604 -0.368 1
1 1108 . 7 1 1 A 83 83 LYS CA C 83 56.630 57.651 -1.021 1
1 1109 . 7 1 1 A 83 83 LYS CB C 83 31.786 31.993 -0.207 1
1 1113 . 7 1 1 A 83 83 LYS N N 83 118.856 119.066 -0.210 1
1 1114 . 7 1 1 A 84 84 ASN H H 84 8.684 8.222 0.462 1
1 1115 . 7 1 1 A 84 84 ASN HA H 84 4.304 4.834 -0.530 1
1 1120 . 7 1 1 A 84 84 ASN C C 84 173.846 175.209 -1.363 1
1 1121 . 7 1 1 A 84 84 ASN CA C 84 53.816 53.430 0.386 1
1 1122 . 7 1 1 A 84 84 ASN CB C 84 37.176 40.559 -3.383 1
1 1123 . 7 1 1 A 84 84 ASN N N 84 116.099 116.441 -0.342 1
1 1125 . 7 1 1 A 85 85 ARG H H 85 7.665 7.789 -0.124 1
1 1126 . 7 1 1 A 85 85 ARG HA H 85 4.675 4.754 -0.079 1
1 1132 . 7 1 1 A 85 85 ARG C C 85 175.529 174.456 1.073 1
1 1133 . 7 1 1 A 85 85 ARG CA C 85 53.112 54.083 -0.971 1
1 1134 . 7 1 1 A 85 85 ARG CB C 85 31.783 33.177 -1.394 1
1 1137 . 7 1 1 A 85 85 ARG N N 85 116.162 118.151 -1.989 1
1 1139 . 7 1 1 A 86 86 SER H H 86 8.864 8.587 0.277 1
1 1140 . 7 1 1 A 86 86 SER HA H 86 4.488 4.981 -0.493 1
1 1143 . 7 1 1 A 86 86 SER C C 86 174.407 175.156 -0.749 1
1 1144 . 7 1 1 A 86 86 SER CA C 86 57.093 55.786 1.307 1
1 1145 . 7 1 1 A 86 86 SER CB C 86 64.840 65.558 -0.718 1
1 1146 . 7 1 1 A 86 86 SER N N 86 119.204 114.488 4.716 1
1 1147 . 7 1 1 A 87 87 ASP H H 87 8.784 8.843 -0.059 1
1 1148 . 7 1 1 A 87 87 ASP HA H 87 4.095 4.358 -0.263 1
1 1151 . 7 1 1 A 87 87 ASP C C 87 178.111 178.457 -0.346 1
1 1152 . 7 1 1 A 87 87 ASP CA C 87 57.801 56.835 0.966 1
1 1153 . 7 1 1 A 87 87 ASP CB C 87 39.056 39.889 -0.833 1
1 1154 . 7 1 1 A 87 87 ASP N N 87 121.415 124.195 -2.780 1
1 1155 . 7 1 1 A 88 88 ASN H H 88 8.491 8.183 0.308 1
1 1156 . 7 1 1 A 88 88 ASN HA H 88 4.166 4.377 -0.211 1
1 1161 . 7 1 1 A 88 88 ASN C C 88 176.842 177.343 -0.501 1
1 1162 . 7 1 1 A 88 88 ASN CA C 88 55.458 56.045 -0.587 1
1 1163 . 7 1 1 A 88 88 ASN CB C 88 38.103 38.637 -0.534 1
1 1164 . 7 1 1 A 88 88 ASN N N 88 115.811 118.739 -2.928 1
1 1166 . 7 1 1 A 89 89 ASN H H 89 7.959 7.924 0.035 1
1 1167 . 7 1 1 A 89 89 ASN HA H 89 4.422 4.490 -0.068 1
1 1172 . 7 1 1 A 89 89 ASN C C 89 178.159 177.614 0.545 1
1 1173 . 7 1 1 A 89 89 ASN CA C 89 56.632 55.762 0.870 1
1 1174 . 7 1 1 A 89 89 ASN CB C 89 39.749 38.563 1.186 1
1 1175 . 7 1 1 A 89 89 ASN N N 89 120.679 117.459 3.220 1
1 1177 . 7 1 1 A 90 90 ILE H H 90 8.373 8.256 0.117 1
1 1178 . 7 1 1 A 90 90 ILE HA H 90 3.840 3.958 -0.118 1
1 1188 . 7 1 1 A 90 90 ILE C C 90 176.191 177.559 -1.368 1
1 1189 . 7 1 1 A 90 90 ILE CA C 90 65.298 64.638 0.660 1
1 1190 . 7 1 1 A 90 90 ILE CB C 90 38.109 37.525 0.584 1
1 1194 . 7 1 1 A 90 90 ILE N N 90 120.840 119.494 1.346 1
1 1195 . 7 1 1 A 91 91 ARG H H 91 7.749 8.576 -0.827 1
1 1196 . 7 1 1 A 91 91 ARG HA H 91 2.077 2.961 -0.884 1
1 1203 . 7 1 1 A 91 91 ARG C C 91 178.063 178.029 0.034 1
1 1204 . 7 1 1 A 91 91 ARG CA C 91 58.500 58.919 -0.419 1
1 1205 . 7 1 1 A 91 91 ARG CB C 91 28.969 29.768 -0.799 1
1 1208 . 7 1 1 A 91 91 ARG N N 91 120.230 120.238 -0.008 1
1 1209 . 7 1 1 A 92 92 ASN H H 92 7.959 7.997 -0.038 1
1 1210 . 7 1 1 A 92 92 ASN HA H 92 4.167 4.415 -0.248 1
1 1215 . 7 1 1 A 92 92 ASN C C 92 177.689 177.925 -0.236 1
1 1216 . 7 1 1 A 92 92 ASN CA C 92 55.640 56.050 -0.410 1
1 1217 . 7 1 1 A 92 92 ASN CB C 92 37.644 38.615 -0.971 1
1 1218 . 7 1 1 A 92 92 ASN N N 92 115.405 117.790 -2.385 1
1 1220 . 7 1 1 A 93 93 ARG H H 93 7.872 7.682 0.190 1
1 1221 . 7 1 1 A 93 93 ARG HA H 93 3.610 3.853 -0.243 1
1 1229 . 7 1 1 A 93 93 ARG C C 93 177.737 178.809 -1.072 1
1 1230 . 7 1 1 A 93 93 ARG CA C 93 57.263 59.327 -2.064 1
1 1231 . 7 1 1 A 93 93 ARG CB C 93 29.141 29.828 -0.687 1
1 1234 . 7 1 1 A 93 93 ARG N N 93 122.360 118.514 3.846 1
1 1236 . 7 1 1 A 94 94 TRP H H 94 8.411 8.264 0.147 1
1 1237 . 7 1 1 A 94 94 TRP HA H 94 3.818 4.117 -0.299 1
1 1241 . 7 1 1 A 94 94 TRP N N 94 119.510 121.771 -2.261 1
1 1243 . 7 1 1 A 95 95 MET HA H 95 3.725 3.935 -0.210 1
1 1246 . 7 1 1 A 95 95 MET C C 95 178.580 178.005 0.575 1
1 1247 . 7 1 1 A 95 95 MET CA C 95 57.807 57.651 0.156 1
1 1248 . 7 1 1 A 95 95 MET CB C 95 32.023 31.917 0.106 1
1 1249 . 7 1 1 A 96 96 MET H H 96 7.580 7.927 -0.347 1
1 1250 . 7 1 1 A 96 96 MET HA H 96 3.980 4.232 -0.252 1
1 1255 . 7 1 1 A 96 96 MET C C 96 178.344 178.161 0.183 1
1 1256 . 7 1 1 A 96 96 MET CA C 96 58.033 57.774 0.259 1
1 1257 . 7 1 1 A 96 96 MET CB C 96 31.783 32.345 -0.562 1
1 1259 . 7 1 1 A 96 96 MET N N 96 118.340 119.474 -1.134 1
1 1260 . 7 1 1 A 97 97 ILE H H 97 7.884 8.177 -0.293 1
1 1261 . 7 1 1 A 97 97 ILE HA H 97 3.583 3.866 -0.283 1
1 1271 . 7 1 1 A 97 97 ILE C C 97 178.154 177.919 0.235 1
1 1272 . 7 1 1 A 97 97 ILE CA C 97 63.656 64.055 -0.399 1
1 1273 . 7 1 1 A 97 97 ILE CB C 97 37.637 36.869 0.768 1
1 1277 . 7 1 1 A 97 97 ILE N N 97 120.158 118.839 1.319 1
1 1278 . 7 1 1 A 98 98 ALA H H 98 8.064 8.359 -0.295 1
1 1279 . 7 1 1 A 98 98 ALA HA H 98 3.515 3.976 -0.461 1
1 1283 . 7 1 1 A 98 98 ALA C C 98 180.224 179.709 0.515 1
1 1284 . 7 1 1 A 98 98 ALA CA C 98 54.283 54.431 -0.148 1
1 1285 . 7 1 1 A 98 98 ALA CB C 98 17.251 17.826 -0.575 1
1 1286 . 7 1 1 A 98 98 ALA N N 98 123.446 122.601 0.845 1
1 1287 . 7 1 1 A 99 99 ARG H H 99 7.623 7.880 -0.257 1
1 1288 . 7 1 1 A 99 99 ARG HA H 99 3.934 3.986 -0.052 1
1 1295 . 7 1 1 A 99 99 ARG C C 99 177.923 178.497 -0.574 1
1 1296 . 7 1 1 A 99 99 ARG CA C 99 57.968 58.490 -0.522 1
1 1297 . 7 1 1 A 99 99 ARG CB C 99 29.606 29.786 -0.180 1
1 1300 . 7 1 1 A 99 99 ARG N N 99 117.538 118.985 -1.447 1
1 1301 . 7 1 1 A 100 100 HIS H H 100 7.797 7.885 -0.088 1
1 1302 . 7 1 1 A 100 100 HIS HA H 100 4.409 4.248 0.161 1
1 1307 . 7 1 1 A 100 100 HIS C C 100 176.575 177.008 -0.433 1
1 1308 . 7 1 1 A 100 100 HIS CA C 100 57.109 58.998 -1.889 1
1 1309 . 7 1 1 A 100 100 HIS CB C 100 29.204 29.978 -0.774 1
1 1312 . 7 1 1 A 100 100 HIS N N 100 118.311 119.273 -0.962 1
1 1313 . 7 1 1 A 101 101 ARG H H 101 8.057 7.514 0.543 1
1 1314 . 7 1 1 A 101 101 ARG HA H 101 4.062 4.002 0.060 1
1 1321 . 7 1 1 A 101 101 ARG C C 101 177.220 178.756 -1.536 1
1 1322 . 7 1 1 A 101 101 ARG CA C 101 57.556 57.994 -0.438 1
1 1323 . 7 1 1 A 101 101 ARG CB C 101 30.157 30.407 -0.250 1
1 1326 . 7 1 1 A 101 101 ARG N N 101 119.935 118.192 1.743 1
1 1327 . 7 1 1 A 102 102 ALA H H 102 7.917 7.837 0.080 1
1 1328 . 7 1 1 A 102 102 ALA HA H 102 4.167 4.093 0.074 1
1 1332 . 7 1 1 A 102 102 ALA C C 102 178.532 179.262 -0.730 1
1 1333 . 7 1 1 A 102 102 ALA CA C 102 53.103 54.316 -1.213 1
1 1334 . 7 1 1 A 102 102 ALA CB C 102 18.447 18.230 0.217 1
1 1335 . 7 1 1 A 102 102 ALA N N 102 122.678 121.549 1.129 1
1 1336 . 7 1 1 A 103 103 LYS H H 103 7.884 7.478 0.406 1
1 1337 . 7 1 1 A 103 103 LYS HA H 103 4.121 4.205 -0.084 1
1 1346 . 7 1 1 A 103 103 LYS C C 103 177.080 175.708 1.372 1
1 1347 . 7 1 1 A 103 103 LYS CA C 103 56.856 55.838 1.018 1
1 1348 . 7 1 1 A 103 103 LYS CB C 103 32.480 32.273 0.207 1
1 1352 . 7 1 1 A 103 103 LYS N N 103 118.773 115.724 3.049 1
1 1353 . 7 1 1 A 104 104 HIS H H 104 8.118 8.049 0.069 1
1 1354 . 7 1 1 A 104 104 HIS HA H 104 4.560 4.105 0.455 1
1 1359 . 7 1 1 A 104 104 HIS C C 104 175.204 175.262 -0.058 1
1 1360 . 7 1 1 A 104 104 HIS CA C 104 55.932 57.044 -1.112 1
1 1361 . 7 1 1 A 104 104 HIS CB C 104 29.448 26.583 2.865 1
1 1364 . 7 1 1 A 104 104 HIS N N 104 118.685 114.455 4.230 1
1 1365 . 7 1 1 A 105 105 GLN H H 105 8.233 7.957 0.276 1
1 1366 . 7 1 1 A 105 105 GLN HA H 105 4.218 3.969 0.249 1
1 1373 . 7 1 1 A 105 105 GLN C C 105 176.172 177.116 -0.944 1
1 1374 . 7 1 1 A 105 105 GLN CA C 105 56.130 58.453 -2.323 1
1 1375 . 7 1 1 A 105 105 GLN CB C 105 28.976 28.507 0.469 1
1 1377 . 7 1 1 A 105 105 GLN N N 105 121.104 118.596 2.508 1
1 1379 . 7 1 1 A 106 106 LYS H H 106 8.346 8.029 0.317 1
1 1380 . 7 1 1 A 106 106 LYS HA H 106 4.239 4.371 -0.132 1
1 1389 . 7 1 1 A 106 106 LYS C C 106 177.022 176.596 0.426 1
1 1390 . 7 1 1 A 106 106 LYS CA C 106 56.647 57.038 -0.391 1
1 1391 . 7 1 1 A 106 106 LYS CB C 106 32.481 35.294 -2.813 1
1 1395 . 7 1 1 A 106 106 LYS N N 106 122.274 117.277 4.997 1
1 16 . 8 1 1 A 2 2 VAL H H 2 8.319 8.689 -0.370 1
1 17 . 8 1 1 A 2 2 VAL HA H 2 4.096 4.150 -0.054 1
1 25 . 8 1 1 A 2 2 VAL C C 2 176.167 177.498 -1.331 1
1 26 . 8 1 1 A 2 2 VAL CA C 2 67.781 61.303 6.478 1
1 27 . 8 1 1 A 2 2 VAL CB C 2 32.484 31.599 0.885 1
1 30 . 8 1 1 A 2 2 VAL N N 2 122.596 125.312 -2.716 1
1 31 . 8 1 1 A 3 3 LYS H H 3 8.470 8.423 0.047 1
1 32 . 8 1 1 A 3 3 LYS HA H 3 4.327 3.836 0.491 1
1 41 . 8 1 1 A 3 3 LYS C C 3 176.713 177.033 -0.320 1
1 42 . 8 1 1 A 3 3 LYS CA C 3 56.391 59.798 -3.407 1
1 43 . 8 1 1 A 3 3 LYS CB C 3 32.723 32.034 0.689 1
1 47 . 8 1 1 A 3 3 LYS N N 3 127.359 124.147 3.212 1
1 48 . 8 1 1 A 4 4 PHE H H 4 8.471 6.938 1.533 1
1 49 . 8 1 1 A 4 4 PHE HA H 4 4.491 4.542 -0.051 1
1 57 . 8 1 1 A 4 4 PHE C C 4 177.923 175.213 2.710 1
1 58 . 8 1 1 A 4 4 PHE CA C 4 57.566 56.864 0.702 1
1 59 . 8 1 1 A 4 4 PHE CB C 4 39.751 39.658 0.093 1
1 65 . 8 1 1 A 4 4 PHE N N 4 125.570 117.373 8.197 1
1 66 . 8 1 1 A 5 5 THR H H 5 8.880 8.527 0.353 1
1 67 . 8 1 1 A 5 5 THR HA H 5 4.490 4.726 -0.236 1
1 72 . 8 1 1 A 5 5 THR C C 5 175.297 175.975 -0.678 1
1 73 . 8 1 1 A 5 5 THR CA C 5 60.140 60.797 -0.657 1
1 74 . 8 1 1 A 5 5 THR CB C 5 70.922 70.207 0.715 1
1 76 . 8 1 1 A 5 5 THR N N 5 114.601 115.575 -0.974 1
1 77 . 8 1 1 A 6 6 GLU H H 6 9.000 9.159 -0.159 1
1 78 . 8 1 1 A 6 6 GLU HA H 6 4.142 4.194 -0.052 1
1 83 . 8 1 1 A 6 6 GLU C C 6 179.326 178.423 0.903 1
1 84 . 8 1 1 A 6 6 GLU CA C 6 59.675 59.547 0.128 1
1 85 . 8 1 1 A 6 6 GLU CB C 6 29.203 29.259 -0.056 1
1 87 . 8 1 1 A 6 6 GLU N N 6 121.577 124.853 -3.276 1
1 88 . 8 1 1 A 7 7 GLU H H 7 8.658 8.235 0.423 1
1 89 . 8 1 1 A 7 7 GLU HA H 7 4.026 3.980 0.046 1
1 94 . 8 1 1 A 7 7 GLU C C 7 179.616 178.893 0.723 1
1 95 . 8 1 1 A 7 7 GLU CA C 7 59.683 59.447 0.236 1
1 96 . 8 1 1 A 7 7 GLU CB C 7 28.972 29.264 -0.292 1
1 98 . 8 1 1 A 7 7 GLU N N 7 118.231 119.691 -1.460 1
1 99 . 8 1 1 A 8 8 GLU H H 8 7.930 8.289 -0.359 1
1 100 . 8 1 1 A 8 8 GLU HA H 8 3.955 3.983 -0.028 1
1 105 . 8 1 1 A 8 8 GLU C C 8 178.395 178.033 0.362 1
1 106 . 8 1 1 A 8 8 GLU CA C 8 59.672 59.318 0.354 1
1 107 . 8 1 1 A 8 8 GLU CB C 8 31.318 29.189 2.129 1
1 109 . 8 1 1 A 8 8 GLU N N 8 121.169 119.768 1.401 1
1 110 . 8 1 1 A 9 9 ASP H H 9 8.507 7.876 0.631 1
1 111 . 8 1 1 A 9 9 ASP HA H 9 4.677 4.087 0.590 1
1 114 . 8 1 1 A 9 9 ASP C C 9 179.329 177.896 1.433 1
1 115 . 8 1 1 A 9 9 ASP CA C 9 57.562 56.764 0.798 1
1 116 . 8 1 1 A 9 9 ASP CB C 9 40.217 41.368 -1.151 1
1 117 . 8 1 1 A 9 9 ASP N N 9 121.164 119.991 1.173 1
1 118 . 8 1 1 A 10 10 LEU H H 10 8.042 7.561 0.481 1
1 119 . 8 1 1 A 10 10 LEU HA H 10 4.143 4.031 0.112 1
1 129 . 8 1 1 A 10 10 LEU C C 10 179.329 179.341 -0.012 1
1 130 . 8 1 1 A 10 10 LEU CA C 10 57.796 57.572 0.224 1
1 131 . 8 1 1 A 10 10 LEU CB C 10 41.392 41.193 0.199 1
1 135 . 8 1 1 A 10 10 LEU N N 10 120.628 119.760 0.868 1
1 136 . 8 1 1 A 11 11 LYS H H 11 8.040 8.081 -0.041 1
1 137 . 8 1 1 A 11 11 LYS HA H 11 4.049 3.966 0.083 1
1 146 . 8 1 1 A 11 11 LYS C C 11 178.345 179.160 -0.815 1
1 147 . 8 1 1 A 11 11 LYS CA C 11 59.199 58.655 0.544 1
1 148 . 8 1 1 A 11 11 LYS CB C 11 32.488 32.032 0.456 1
1 152 . 8 1 1 A 11 11 LYS N N 11 121.016 118.176 2.840 1
1 153 . 8 1 1 A 12 12 LEU H H 12 8.865 7.755 1.110 1
1 154 . 8 1 1 A 12 12 LEU HA H 12 4.258 4.077 0.181 1
1 164 . 8 1 1 A 12 12 LEU C C 12 178.298 178.650 -0.352 1
1 165 . 8 1 1 A 12 12 LEU CA C 12 58.500 57.646 0.854 1
1 166 . 8 1 1 A 12 12 LEU CB C 12 41.389 41.450 -0.061 1
1 169 . 8 1 1 A 12 12 LEU N N 12 120.138 119.425 0.713 1
1 170 . 8 1 1 A 13 13 GLN H H 13 8.400 8.035 0.365 1
1 171 . 8 1 1 A 13 13 GLN HA H 13 4.097 4.131 -0.034 1
1 178 . 8 1 1 A 13 13 GLN C C 13 178.254 177.938 0.316 1
1 179 . 8 1 1 A 13 13 GLN CA C 13 59.693 58.615 1.078 1
1 180 . 8 1 1 A 13 13 GLN CB C 13 28.733 28.274 0.459 1
1 182 . 8 1 1 A 13 13 GLN N N 13 117.136 117.088 0.048 1
1 184 . 8 1 1 A 14 14 GLN H H 14 8.175 7.482 0.693 1
1 185 . 8 1 1 A 14 14 GLN HA H 14 3.980 4.154 -0.174 1
1 192 . 8 1 1 A 14 14 GLN C C 14 179.518 178.604 0.914 1
1 193 . 8 1 1 A 14 14 GLN CA C 14 58.745 58.203 0.542 1
1 194 . 8 1 1 A 14 14 GLN CB C 14 28.034 28.985 -0.951 1
1 196 . 8 1 1 A 14 14 GLN N N 14 117.947 118.971 -1.024 1
1 198 . 8 1 1 A 15 15 LEU H H 15 8.721 8.018 0.703 1
1 199 . 8 1 1 A 15 15 LEU HA H 15 4.143 3.979 0.164 1
1 209 . 8 1 1 A 15 15 LEU C C 15 178.956 179.076 -0.120 1
1 210 . 8 1 1 A 15 15 LEU CA C 15 57.562 58.093 -0.531 1
1 211 . 8 1 1 A 15 15 LEU CB C 15 42.801 42.071 0.730 1
1 215 . 8 1 1 A 15 15 LEU N N 15 120.641 120.369 0.272 1
1 216 . 8 1 1 A 16 16 VAL H H 16 8.603 8.494 0.109 1
1 217 . 8 1 1 A 16 16 VAL HA H 16 3.230 3.424 -0.194 1
1 225 . 8 1 1 A 16 16 VAL C C 16 179.988 177.885 2.103 1
1 226 . 8 1 1 A 16 16 VAL CA C 16 65.733 66.914 -1.181 1
1 227 . 8 1 1 A 16 16 VAL CB C 16 30.609 31.486 -0.877 1
1 230 . 8 1 1 A 16 16 VAL N N 16 120.873 117.816 3.057 1
1 231 . 8 1 1 A 17 17 MET H H 17 8.058 7.858 0.200 1
1 232 . 8 1 1 A 17 17 MET HA H 17 4.050 4.182 -0.132 1
1 237 . 8 1 1 A 17 17 MET C C 17 177.501 178.337 -0.836 1
1 238 . 8 1 1 A 17 17 MET CA C 17 58.270 58.336 -0.066 1
1 239 . 8 1 1 A 17 17 MET CB C 17 31.784 31.850 -0.066 1
1 241 . 8 1 1 A 17 17 MET N N 17 119.240 119.914 -0.674 1
1 242 . 8 1 1 A 18 18 ARG H H 18 7.406 8.003 -0.597 1
1 243 . 8 1 1 A 18 18 ARG HA H 18 3.957 3.911 0.046 1
1 250 . 8 1 1 A 18 18 ARG C C 18 177.691 177.293 0.398 1
1 251 . 8 1 1 A 18 18 ARG CA C 18 58.301 58.539 -0.238 1
1 252 . 8 1 1 A 18 18 ARG CB C 18 30.842 29.906 0.936 1
1 255 . 8 1 1 A 18 18 ARG N N 18 117.487 119.942 -2.455 1
1 256 . 8 1 1 A 19 19 TYR H H 19 8.571 7.509 1.062 1
1 257 . 8 1 1 A 19 19 TYR HA H 19 4.490 4.502 -0.012 1
1 264 . 8 1 1 A 19 19 TYR C C 19 176.706 175.782 0.924 1
1 265 . 8 1 1 A 19 19 TYR CA C 19 58.739 57.712 1.027 1
1 266 . 8 1 1 A 19 19 TYR CB C 19 39.044 38.414 0.630 1
1 271 . 8 1 1 A 19 19 TYR N N 19 115.284 115.633 -0.349 1
1 272 . 8 1 1 A 20 20 GLY H H 20 8.148 9.489 -1.341 1
1 273 . 8 1 1 A 20 20 GLY HA2 H 20 3.609 3.875 -0.266 1
1 274 . 8 1 1 A 20 20 GLY HA3 H 20 4.137 3.904 0.233 1
1 275 . 8 1 1 A 20 20 GLY C C 20 171.784 173.806 -2.022 1
1 276 . 8 1 1 A 20 20 GLY CA C 20 43.972 46.526 -2.554 1
1 277 . 8 1 1 A 20 20 GLY N N 20 110.830 108.386 2.444 1
1 278 . 8 1 1 A 21 21 ALA H H 21 7.886 7.796 0.090 1
1 279 . 8 1 1 A 21 21 ALA HA H 21 3.400 4.082 -0.682 1
1 283 . 8 1 1 A 21 21 ALA C C 21 176.002 176.909 -0.907 1
1 284 . 8 1 1 A 21 21 ALA CA C 21 49.825 51.114 -1.289 1
1 285 . 8 1 1 A 21 21 ALA CB C 21 17.960 18.241 -0.281 1
1 286 . 8 1 1 A 21 21 ALA N N 21 119.337 122.062 -2.725 1
1 287 . 8 1 1 A 22 22 LYS H H 22 7.424 7.711 -0.287 1
1 288 . 8 1 1 A 22 22 LYS HA H 22 4.258 4.610 -0.352 1
1 297 . 8 1 1 A 22 22 LYS C C 22 175.769 176.126 -0.357 1
1 298 . 8 1 1 A 22 22 LYS CA C 22 55.921 56.405 -0.484 1
1 299 . 8 1 1 A 22 22 LYS CB C 22 33.371 34.449 -1.078 1
1 303 . 8 1 1 A 22 22 LYS N N 22 115.793 114.378 1.415 1
1 304 . 8 1 1 A 23 23 ASP H H 23 7.724 7.487 0.237 1
1 305 . 8 1 1 A 23 23 ASP HA H 23 4.700 4.938 -0.238 1
1 308 . 8 1 1 A 23 23 ASP C C 23 176.142 176.258 -0.116 1
1 309 . 8 1 1 A 23 23 ASP CA C 23 51.704 53.010 -1.306 1
1 310 . 8 1 1 A 23 23 ASP CB C 23 39.514 40.798 -1.284 1
1 311 . 8 1 1 A 23 23 ASP N N 23 119.398 118.943 0.455 1
1 312 . 8 1 1 A 24 24 TRP H H 24 8.035 7.775 0.260 1
1 313 . 8 1 1 A 24 24 TRP HA H 24 4.258 4.299 -0.041 1
1 322 . 8 1 1 A 24 24 TRP C C 24 178.252 178.175 0.077 1
1 323 . 8 1 1 A 24 24 TRP CA C 24 58.736 59.757 -1.021 1
1 324 . 8 1 1 A 24 24 TRP CB C 24 28.970 28.433 0.537 1
1 330 . 8 1 1 A 24 24 TRP N N 24 123.130 120.326 2.804 1
1 332 . 8 1 1 A 25 25 ILE H H 25 8.092 7.786 0.306 1
1 333 . 8 1 1 A 25 25 ILE HA H 25 3.724 3.829 -0.105 1
1 343 . 8 1 1 A 25 25 ILE C C 25 177.806 177.824 -0.018 1
1 344 . 8 1 1 A 25 25 ILE CA C 25 65.060 64.933 0.127 1
1 345 . 8 1 1 A 25 25 ILE CB C 25 36.234 37.472 -1.238 1
1 349 . 8 1 1 A 25 25 ILE N N 25 121.518 115.614 5.904 1
1 350 . 8 1 1 A 26 26 ARG H H 26 7.503 7.561 -0.058 1
1 351 . 8 1 1 A 26 26 ARG HA H 26 3.864 3.991 -0.127 1
1 358 . 8 1 1 A 26 26 ARG C C 26 178.303 178.596 -0.293 1
1 359 . 8 1 1 A 26 26 ARG CA C 26 58.267 58.723 -0.456 1
1 360 . 8 1 1 A 26 26 ARG CB C 26 29.680 29.669 0.011 1
1 363 . 8 1 1 A 26 26 ARG N N 26 122.119 121.116 1.003 1
1 364 . 8 1 1 A 27 27 ILE H H 27 7.340 7.811 -0.471 1
1 365 . 8 1 1 A 27 27 ILE HA H 27 3.450 3.669 -0.219 1
1 375 . 8 1 1 A 27 27 ILE C C 27 177.689 178.600 -0.911 1
1 376 . 8 1 1 A 27 27 ILE CA C 27 63.893 65.019 -1.126 1
1 377 . 8 1 1 A 27 27 ILE CB C 27 36.474 37.136 -0.662 1
1 381 . 8 1 1 A 27 27 ILE N N 27 115.446 119.929 -4.483 1
1 382 . 8 1 1 A 28 28 SER H H 28 8.203 7.987 0.216 1
1 383 . 8 1 1 A 28 28 SER HA H 28 4.144 4.308 -0.164 1
1 386 . 8 1 1 A 28 28 SER C C 28 177.220 177.063 0.157 1
1 387 . 8 1 1 A 28 28 SER CA C 28 61.085 61.441 -0.356 1
1 388 . 8 1 1 A 28 28 SER CB C 28 63.421 63.136 0.285 1
1 389 . 8 1 1 A 28 28 SER N N 28 113.324 117.023 -3.699 1
1 390 . 8 1 1 A 29 29 GLN H H 29 8.177 7.930 0.247 1
1 391 . 8 1 1 A 29 29 GLN HA H 29 4.003 4.066 -0.063 1
1 398 . 8 1 1 A 29 29 GLN C C 29 178.910 179.073 -0.163 1
1 399 . 8 1 1 A 29 29 GLN CA C 29 58.503 58.869 -0.366 1
1 400 . 8 1 1 A 29 29 GLN CB C 29 27.796 28.191 -0.395 1
1 402 . 8 1 1 A 29 29 GLN N N 29 120.561 121.548 -0.987 1
1 404 . 8 1 1 A 30 30 LEU H H 30 7.494 7.395 0.099 1
1 405 . 8 1 1 A 30 30 LEU HA H 30 4.258 4.089 0.169 1
1 415 . 8 1 1 A 30 30 LEU C C 30 178.956 177.314 1.642 1
1 416 . 8 1 1 A 30 30 LEU CA C 30 55.675 57.299 -1.624 1
1 417 . 8 1 1 A 30 30 LEU CB C 30 42.559 42.321 0.238 1
1 421 . 8 1 1 A 30 30 LEU N N 30 118.106 119.698 -1.592 1
1 422 . 8 1 1 A 31 31 MET H H 31 8.399 7.236 1.163 1
1 423 . 8 1 1 A 31 31 MET HA H 31 4.329 4.888 -0.559 1
1 428 . 8 1 1 A 31 31 MET C C 31 179.515 175.800 3.715 1
1 429 . 8 1 1 A 31 31 MET CA C 31 55.921 54.342 1.579 1
1 430 . 8 1 1 A 31 31 MET CB C 31 31.310 32.970 -1.660 1
1 432 . 8 1 1 A 31 31 MET N N 31 120.008 115.760 4.248 1
1 433 . 8 1 1 A 32 32 ILE H H 32 8.177 7.957 0.220 1
1 434 . 8 1 1 A 32 32 ILE HA H 32 3.423 4.054 -0.631 1
1 444 . 8 1 1 A 32 32 ILE C C 32 179.473 177.771 1.702 1
1 445 . 8 1 1 A 32 32 ILE CA C 32 67.639 63.406 4.233 1
1 446 . 8 1 1 A 32 32 ILE CB C 32 35.767 37.649 -1.882 1
1 450 . 8 1 1 A 32 32 ILE N N 32 114.338 119.163 -4.825 1
1 451 . 8 1 1 A 33 33 THR H H 33 8.957 7.658 1.299 1
1 452 . 8 1 1 A 33 33 THR HA H 33 4.143 4.179 -0.036 1
1 457 . 8 1 1 A 33 33 THR C C 33 174.361 174.054 0.307 1
1 458 . 8 1 1 A 33 33 THR CA C 33 62.251 64.171 -1.920 1
1 459 . 8 1 1 A 33 33 THR CB C 33 68.581 68.661 -0.080 1
1 461 . 8 1 1 A 33 33 THR N N 33 110.164 112.974 -2.810 1
1 462 . 8 1 1 A 34 34 ARG H H 34 6.509 7.480 -0.971 1
1 463 . 8 1 1 A 34 34 ARG HA H 34 4.862 4.733 0.129 1
1 470 . 8 1 1 A 34 34 ARG C C 34 174.922 174.504 0.418 1
1 471 . 8 1 1 A 34 34 ARG CA C 34 51.939 54.483 -2.544 1
1 472 . 8 1 1 A 34 34 ARG CB C 34 36.061 35.118 0.943 1
1 475 . 8 1 1 A 34 34 ARG N N 34 116.058 120.871 -4.813 1
1 476 . 8 1 1 A 35 35 ASN H H 35 8.733 8.828 -0.095 1
1 477 . 8 1 1 A 35 35 ASN HA H 35 4.810 5.117 -0.307 1
1 482 . 8 1 1 A 35 35 ASN C C 35 173.986 175.559 -1.573 1
1 483 . 8 1 1 A 35 35 ASN CA C 35 52.107 51.600 0.507 1
1 484 . 8 1 1 A 35 35 ASN CB C 35 36.636 38.276 -1.640 1
1 485 . 8 1 1 A 35 35 ASN N N 35 122.840 119.674 3.166 1
1 487 . 8 1 1 A 36 36 PRO HA H 36 4.197 4.551 -0.354 1
1 494 . 8 1 1 A 36 36 PRO C C 36 178.019 178.761 -0.742 1
1 495 . 8 1 1 A 36 36 PRO CA C 36 67.412 65.740 1.672 1
1 496 . 8 1 1 A 36 36 PRO CB C 36 32.018 31.923 0.095 1
1 499 . 8 1 1 A 37 37 ARG H H 37 7.804 8.472 -0.668 1
1 500 . 8 1 1 A 37 37 ARG HA H 37 3.749 3.900 -0.151 1
1 507 . 8 1 1 A 37 37 ARG C C 37 178.300 178.985 -0.685 1
1 508 . 8 1 1 A 37 37 ARG CA C 37 59.202 58.839 0.363 1
1 509 . 8 1 1 A 37 37 ARG CB C 37 29.435 29.419 0.016 1
1 512 . 8 1 1 A 37 37 ARG N N 37 117.759 117.652 0.107 1
1 513 . 8 1 1 A 38 38 GLN H H 38 8.682 8.539 0.143 1
1 514 . 8 1 1 A 38 38 GLN HA H 38 4.043 4.020 0.023 1
1 521 . 8 1 1 A 38 38 GLN C C 38 180.078 178.138 1.940 1
1 522 . 8 1 1 A 38 38 GLN CA C 38 58.506 58.999 -0.493 1
1 523 . 8 1 1 A 38 38 GLN CB C 38 29.431 28.545 0.886 1
1 525 . 8 1 1 A 38 38 GLN N N 38 117.504 118.885 -1.381 1
1 527 . 8 1 1 A 39 39 CYS H H 39 8.095 7.927 0.168 1
1 528 . 8 1 1 A 39 39 CYS HA H 39 4.059 4.660 -0.601 1
1 531 . 8 1 1 A 39 39 CYS C C 39 173.893 177.040 -3.147 1
1 532 . 8 1 1 A 39 39 CYS CA C 39 64.592 61.896 2.696 1
1 533 . 8 1 1 A 39 39 CYS CB C 39 27.328 27.599 -0.271 1
1 534 . 8 1 1 A 39 39 CYS N N 39 116.291 118.789 -2.498 1
1 535 . 8 1 1 A 40 40 ARG H H 40 7.589 7.728 -0.139 1
1 536 . 8 1 1 A 40 40 ARG HA H 40 1.821 2.451 -0.630 1
1 543 . 8 1 1 A 40 40 ARG C C 40 178.204 178.473 -0.269 1
1 544 . 8 1 1 A 40 40 ARG CA C 40 58.264 58.823 -0.559 1
1 545 . 8 1 1 A 40 40 ARG CB C 40 29.440 29.275 0.165 1
1 548 . 8 1 1 A 40 40 ARG N N 40 121.272 122.360 -1.088 1
1 549 . 8 1 1 A 41 41 GLU H H 41 8.352 8.046 0.306 1
1 550 . 8 1 1 A 41 41 GLU HA H 41 3.817 4.079 -0.262 1
1 555 . 8 1 1 A 41 41 GLU C C 41 178.718 178.979 -0.261 1
1 556 . 8 1 1 A 41 41 GLU CA C 41 58.971 58.820 0.151 1
1 557 . 8 1 1 A 41 41 GLU CB C 41 28.972 28.426 0.546 1
1 559 . 8 1 1 A 41 41 GLU N N 41 117.034 116.983 0.051 1
1 560 . 8 1 1 A 42 42 ARG H H 42 7.755 7.992 -0.237 1
1 561 . 8 1 1 A 42 42 ARG HA H 42 3.931 4.202 -0.271 1
1 568 . 8 1 1 A 42 42 ARG C C 42 179.333 178.502 0.831 1
1 569 . 8 1 1 A 42 42 ARG CA C 42 57.261 59.293 -2.032 1
1 570 . 8 1 1 A 42 42 ARG CB C 42 29.610 30.206 -0.596 1
1 573 . 8 1 1 A 42 42 ARG N N 42 119.603 120.104 -0.501 1
1 574 . 8 1 1 A 43 43 TRP H H 43 8.199 7.840 0.359 1
1 575 . 8 1 1 A 43 43 TRP HA H 43 4.292 4.400 -0.108 1
1 579 . 8 1 1 A 43 43 TRP C C 43 176.705 178.627 -1.922 1
1 580 . 8 1 1 A 43 43 TRP CA C 43 57.006 61.268 -4.262 1
1 581 . 8 1 1 A 43 43 TRP CB C 43 29.620 29.459 0.161 1
1 582 . 8 1 1 A 43 43 TRP N N 43 119.355 121.567 -2.212 1
1 584 . 8 1 1 A 44 44 ASN H H 44 8.478 8.286 0.192 1
1 585 . 8 1 1 A 44 44 ASN HA H 44 4.177 4.061 0.116 1
1 590 . 8 1 1 A 44 44 ASN C C 44 176.986 176.896 0.090 1
1 591 . 8 1 1 A 44 44 ASN CA C 44 55.457 55.779 -0.322 1
1 592 . 8 1 1 A 44 44 ASN CB C 44 38.347 38.232 0.115 1
1 593 . 8 1 1 A 44 44 ASN N N 44 113.530 118.220 -4.690 1
1 595 . 8 1 1 A 45 45 ASN H H 45 8.060 8.080 -0.020 1
1 596 . 8 1 1 A 45 45 ASN HA H 45 4.630 4.850 -0.220 1
1 601 . 8 1 1 A 45 45 ASN C C 45 175.347 175.015 0.332 1
1 602 . 8 1 1 A 45 45 ASN CA C 45 53.350 53.459 -0.109 1
1 603 . 8 1 1 A 45 45 ASN CB C 45 39.047 39.530 -0.483 1
1 604 . 8 1 1 A 45 45 ASN N N 45 112.540 113.167 -0.627 1
1 606 . 8 1 1 A 46 46 TYR H H 46 7.443 7.864 -0.421 1
1 607 . 8 1 1 A 46 46 TYR HA H 46 4.447 4.897 -0.450 1
1 614 . 8 1 1 A 46 46 TYR C C 46 175.439 175.075 0.364 1
1 615 . 8 1 1 A 46 46 TYR CA C 46 60.074 59.310 0.764 1
1 616 . 8 1 1 A 46 46 TYR CB C 46 40.383 40.524 -0.141 1
1 621 . 8 1 1 A 46 46 TYR N N 46 117.403 118.632 -1.229 1
1 622 . 8 1 1 A 47 47 ILE HA H 47 3.786 4.700 -0.914 1
1 632 . 8 1 1 A 47 47 ILE C C 47 175.440 174.104 1.336 1
1 633 . 8 1 1 A 47 47 ILE CA C 47 62.240 59.526 2.714 1
1 634 . 8 1 1 A 47 47 ILE CB C 47 38.670 41.063 -2.393 1
1 638 . 8 1 1 A 48 48 ASN H H 48 7.922 8.574 -0.652 1
1 639 . 8 1 1 A 48 48 ASN HA H 48 3.795 4.572 -0.777 1
1 642 . 8 1 1 A 48 48 ASN C C 48 174.640 175.404 -0.764 1
1 643 . 8 1 1 A 48 48 ASN N N 48 119.990 121.218 -1.228 1
1 645 . 8 1 1 A 49 49 PRO HA H 49 4.166 4.471 -0.305 1
1 652 . 8 1 1 A 49 49 PRO C C 49 177.408 176.411 0.997 1
1 653 . 8 1 1 A 49 49 PRO CA C 49 64.124 63.481 0.643 1
1 654 . 8 1 1 A 49 49 PRO CB C 49 31.313 32.504 -1.191 1
1 657 . 8 1 1 A 50 50 ALA H H 50 7.595 7.935 -0.340 1
1 658 . 8 1 1 A 50 50 ALA HA H 50 4.128 3.970 0.158 1
1 662 . 8 1 1 A 50 50 ALA C C 50 178.251 177.605 0.646 1
1 663 . 8 1 1 A 50 50 ALA CA C 50 52.642 52.968 -0.326 1
1 664 . 8 1 1 A 50 50 ALA CB C 50 18.422 17.254 1.168 1
1 665 . 8 1 1 A 50 50 ALA N N 50 120.036 120.378 -0.342 1
1 666 . 8 1 1 A 51 51 LEU H H 51 7.586 7.904 -0.318 1
1 667 . 8 1 1 A 51 51 LEU HA H 51 4.119 4.497 -0.378 1
1 677 . 8 1 1 A 51 51 LEU C C 51 177.686 177.494 0.192 1
1 678 . 8 1 1 A 51 51 LEU CA C 51 55.219 54.627 0.592 1
1 679 . 8 1 1 A 51 51 LEU CB C 51 41.883 41.718 0.165 1
1 683 . 8 1 1 A 51 51 LEU N N 51 118.197 116.192 2.005 1
1 684 . 8 1 1 A 52 52 ARG H H 52 8.013 7.856 0.157 1
1 685 . 8 1 1 A 52 52 ARG HA H 52 4.334 4.133 0.201 1
1 692 . 8 1 1 A 52 52 ARG C C 52 176.658 176.025 0.633 1
1 693 . 8 1 1 A 52 52 ARG CA C 52 55.923 58.499 -2.576 1
1 694 . 8 1 1 A 52 52 ARG CB C 52 31.086 30.216 0.870 1
1 697 . 8 1 1 A 52 52 ARG N N 52 119.899 120.613 -0.714 1
1 698 . 8 1 1 A 53 53 THR H H 53 8.187 7.480 0.707 1
1 699 . 8 1 1 A 53 53 THR HA H 53 4.345 4.520 -0.175 1
1 704 . 8 1 1 A 53 53 THR C C 53 173.892 172.408 1.484 1
1 705 . 8 1 1 A 53 53 THR CA C 53 60.611 60.651 -0.040 1
1 706 . 8 1 1 A 53 53 THR CB C 53 69.514 69.086 0.428 1
1 708 . 8 1 1 A 53 53 THR N N 53 113.907 112.786 1.121 1
1 709 . 8 1 1 A 54 54 ASP H H 54 8.430 8.897 -0.467 1
1 710 . 8 1 1 A 54 54 ASP HA H 54 4.810 5.192 -0.382 1
1 713 . 8 1 1 A 54 54 ASP C C 54 174.082 173.514 0.568 1
1 714 . 8 1 1 A 54 54 ASP CA C 54 52.578 51.454 1.124 1
1 715 . 8 1 1 A 54 54 ASP CB C 54 39.685 41.514 -1.829 1
1 716 . 8 1 1 A 54 54 ASP N N 54 123.174 126.623 -3.449 1
1 717 . 8 1 1 A 55 55 PRO HA H 55 4.561 4.400 0.161 1
1 724 . 8 1 1 A 55 55 PRO C C 55 177.127 176.726 0.401 1
1 725 . 8 1 1 A 55 55 PRO CA C 55 62.958 62.519 0.439 1
1 726 . 8 1 1 A 55 55 PRO CB C 55 32.013 32.360 -0.347 1
1 729 . 8 1 1 A 56 56 TRP H H 56 8.721 7.481 1.240 1
1 730 . 8 1 1 A 56 56 TRP HA H 56 4.351 4.977 -0.626 1
1 739 . 8 1 1 A 56 56 TRP C C 56 177.127 175.127 2.000 1
1 740 . 8 1 1 A 56 56 TRP CA C 56 57.796 56.250 1.546 1
1 741 . 8 1 1 A 56 56 TRP CB C 56 28.732 30.995 -2.263 1
1 747 . 8 1 1 A 56 56 TRP N N 56 124.713 120.430 4.283 1
1 749 . 8 1 1 A 57 57 SER H H 57 9.085 8.603 0.482 1
1 750 . 8 1 1 A 57 57 SER HA H 57 4.957 4.976 -0.019 1
1 753 . 8 1 1 A 57 57 SER C C 57 173.562 174.266 -0.704 1
1 754 . 8 1 1 A 57 57 SER CA C 57 55.852 55.425 0.427 1
1 755 . 8 1 1 A 57 57 SER CB C 57 63.824 65.483 -1.659 1
1 756 . 8 1 1 A 57 57 SER N N 57 122.041 116.452 5.589 1
1 757 . 8 1 1 A 58 58 PRO HA H 58 4.444 4.376 0.068 1
1 764 . 8 1 1 A 58 58 PRO C C 58 179.777 178.679 1.098 1
1 765 . 8 1 1 A 58 58 PRO CA C 58 65.071 65.095 -0.024 1
1 766 . 8 1 1 A 58 58 PRO CB C 58 31.546 31.847 -0.301 1
1 769 . 8 1 1 A 59 59 GLU H H 59 8.788 8.428 0.360 1
1 770 . 8 1 1 A 59 59 GLU HA H 59 4.088 4.090 -0.002 1
1 775 . 8 1 1 A 59 59 GLU C C 59 179.656 179.575 0.081 1
1 776 . 8 1 1 A 59 59 GLU CA C 59 60.373 60.135 0.238 1
1 777 . 8 1 1 A 59 59 GLU CB C 59 28.505 28.925 -0.420 1
1 779 . 8 1 1 A 59 59 GLU N N 59 117.546 118.072 -0.526 1
1 780 . 8 1 1 A 60 60 GLU H H 60 7.977 8.055 -0.078 1
1 781 . 8 1 1 A 60 60 GLU HA H 60 4.015 4.006 0.009 1
1 786 . 8 1 1 A 60 60 GLU C C 60 178.440 178.660 -0.220 1
1 787 . 8 1 1 A 60 60 GLU CA C 60 59.913 59.197 0.716 1
1 788 . 8 1 1 A 60 60 GLU CB C 60 31.541 28.944 2.597 1
1 790 . 8 1 1 A 60 60 GLU N N 60 122.264 120.066 2.198 1
1 791 . 8 1 1 A 61 61 ASP H H 61 8.267 8.129 0.138 1
1 792 . 8 1 1 A 61 61 ASP HA H 61 4.654 4.529 0.125 1
1 795 . 8 1 1 A 61 61 ASP C C 61 179.469 178.298 1.171 1
1 796 . 8 1 1 A 61 61 ASP CA C 61 57.562 57.988 -0.426 1
1 797 . 8 1 1 A 61 61 ASP CB C 61 39.987 42.291 -2.304 1
1 798 . 8 1 1 A 61 61 ASP N N 61 120.543 119.544 0.999 1
1 799 . 8 1 1 A 62 62 MET H H 62 8.139 8.403 -0.264 1
1 800 . 8 1 1 A 62 62 MET HA H 62 4.284 4.445 -0.161 1
1 805 . 8 1 1 A 62 62 MET C C 62 178.811 178.732 0.079 1
1 806 . 8 1 1 A 62 62 MET CA C 62 58.505 58.024 0.481 1
1 807 . 8 1 1 A 62 62 MET CB C 62 32.251 33.030 -0.779 1
1 809 . 8 1 1 A 62 62 MET N N 62 119.343 117.899 1.444 1
1 810 . 8 1 1 A 63 63 LEU H H 63 7.959 8.382 -0.423 1
1 811 . 8 1 1 A 63 63 LEU HA H 63 4.212 4.016 0.196 1
1 821 . 8 1 1 A 63 63 LEU C C 63 177.642 178.970 -1.328 1
1 822 . 8 1 1 A 63 63 LEU CA C 63 57.562 57.700 -0.138 1
1 823 . 8 1 1 A 63 63 LEU CB C 63 42.096 41.570 0.526 1
1 827 . 8 1 1 A 63 63 LEU N N 63 122.676 119.686 2.990 1
1 828 . 8 1 1 A 64 64 LEU H H 64 8.784 8.519 0.265 1
1 829 . 8 1 1 A 64 64 LEU HA H 64 4.119 3.841 0.278 1
1 839 . 8 1 1 A 64 64 LEU C C 64 177.515 178.238 -0.723 1
1 840 . 8 1 1 A 64 64 LEU CA C 64 58.738 58.234 0.504 1
1 841 . 8 1 1 A 64 64 LEU CB C 64 41.395 41.054 0.341 1
1 845 . 8 1 1 A 64 64 LEU N N 64 120.877 119.820 1.057 1
1 846 . 8 1 1 A 65 65 ASP H H 65 8.085 7.771 0.314 1
1 847 . 8 1 1 A 65 65 ASP HA H 65 4.630 4.502 0.128 1
1 850 . 8 1 1 A 65 65 ASP C C 65 179.391 178.721 0.670 1
1 851 . 8 1 1 A 65 65 ASP CA C 65 57.566 57.504 0.062 1
1 852 . 8 1 1 A 65 65 ASP CB C 65 41.626 42.106 -0.480 1
1 853 . 8 1 1 A 65 65 ASP N N 65 118.583 118.870 -0.287 1
1 854 . 8 1 1 A 66 66 GLN H H 66 8.336 8.117 0.219 1
1 855 . 8 1 1 A 66 66 GLN HA H 66 4.050 4.010 0.040 1
1 862 . 8 1 1 A 66 66 GLN C C 66 179.565 178.256 1.309 1
1 863 . 8 1 1 A 66 66 GLN CA C 66 58.739 58.738 0.001 1
1 864 . 8 1 1 A 66 66 GLN CB C 66 28.502 28.587 -0.085 1
1 866 . 8 1 1 A 66 66 GLN N N 66 118.725 119.389 -0.664 1
1 868 . 8 1 1 A 67 67 LYS H H 67 9.126 7.783 1.343 1
1 869 . 8 1 1 A 67 67 LYS HA H 67 4.142 4.067 0.075 1
1 878 . 8 1 1 A 67 67 LYS C C 67 178.671 178.841 -0.170 1
1 879 . 8 1 1 A 67 67 LYS CA C 67 56.156 58.837 -2.681 1
1 880 . 8 1 1 A 67 67 LYS CB C 67 31.550 32.742 -1.192 1
1 884 . 8 1 1 A 67 67 LYS N N 67 117.220 119.581 -2.361 1
1 885 . 8 1 1 A 68 68 TYR H H 68 9.361 8.583 0.778 1
1 886 . 8 1 1 A 68 68 TYR HA H 68 3.819 4.051 -0.232 1
1 893 . 8 1 1 A 68 68 TYR C C 68 179.235 177.941 1.294 1
1 894 . 8 1 1 A 68 68 TYR CA C 68 61.547 61.879 -0.332 1
1 895 . 8 1 1 A 68 68 TYR CB C 68 37.881 38.521 -0.640 1
1 900 . 8 1 1 A 68 68 TYR N N 68 123.884 120.782 3.102 1
1 901 . 8 1 1 A 69 69 ALA H H 69 7.810 7.996 -0.186 1
1 902 . 8 1 1 A 69 69 ALA HA H 69 3.980 3.927 0.053 1
1 906 . 8 1 1 A 69 69 ALA C C 69 178.673 178.870 -0.197 1
1 907 . 8 1 1 A 69 69 ALA CA C 69 54.755 55.123 -0.368 1
1 908 . 8 1 1 A 69 69 ALA CB C 69 17.253 18.494 -1.241 1
1 909 . 8 1 1 A 69 69 ALA N N 69 121.733 121.417 0.316 1
1 910 . 8 1 1 A 70 70 GLU H H 70 7.091 7.737 -0.646 1
1 911 . 8 1 1 A 70 70 GLU HA H 70 3.848 4.076 -0.228 1
1 916 . 8 1 1 A 70 70 GLU C C 70 178.018 177.788 0.230 1
1 917 . 8 1 1 A 70 70 GLU CA C 70 58.566 58.085 0.481 1
1 918 . 8 1 1 A 70 70 GLU CB C 70 30.609 30.242 0.367 1
1 920 . 8 1 1 A 70 70 GLU N N 70 115.850 116.659 -0.809 1
1 921 . 8 1 1 A 71 71 TYR H H 71 8.270 7.913 0.357 1
1 922 . 8 1 1 A 71 71 TYR HA H 71 4.537 4.301 0.236 1
1 929 . 8 1 1 A 71 71 TYR C C 71 177.174 176.313 0.861 1
1 930 . 8 1 1 A 71 71 TYR CA C 71 57.796 59.484 -1.688 1
1 931 . 8 1 1 A 71 71 TYR CB C 71 40.219 38.685 1.534 1
1 936 . 8 1 1 A 71 71 TYR N N 71 114.509 116.801 -2.292 1
1 937 . 8 1 1 A 72 72 GLY H H 72 8.417 7.865 0.552 1
1 938 . 8 1 1 A 72 72 GLY HA2 H 72 3.720 3.005 0.715 1
1 939 . 8 1 1 A 72 72 GLY HA3 H 72 2.255 3.703 -1.448 1
1 940 . 8 1 1 A 72 72 GLY C C 72 172.111 174.352 -2.241 1
1 941 . 8 1 1 A 72 72 GLY CA C 72 43.439 43.878 -0.439 1
1 942 . 8 1 1 A 72 72 GLY N N 72 111.509 106.605 4.904 1
1 943 . 8 1 1 A 73 73 PRO HA H 73 2.587 2.889 -0.302 1
1 950 . 8 1 1 A 73 73 PRO C C 73 175.393 175.153 0.240 1
1 951 . 8 1 1 A 73 73 PRO CA C 73 62.018 62.999 -0.981 1
1 952 . 8 1 1 A 73 73 PRO CB C 73 28.033 31.147 -3.114 1
1 955 . 8 1 1 A 74 74 LYS H H 74 8.065 8.451 -0.386 1
1 956 . 8 1 1 A 74 74 LYS HA H 74 4.259 4.305 -0.046 1
1 965 . 8 1 1 A 74 74 LYS C C 74 177.220 176.455 0.765 1
1 966 . 8 1 1 A 74 74 LYS CA C 74 52.641 54.624 -1.983 1
1 967 . 8 1 1 A 74 74 LYS CB C 74 30.145 30.155 -0.010 1
1 971 . 8 1 1 A 74 74 LYS N N 74 125.996 118.324 7.672 1
1 972 . 8 1 1 A 75 75 TRP H H 75 6.735 7.001 -0.266 1
1 973 . 8 1 1 A 75 75 TRP HA H 75 4.305 4.350 -0.045 1
1 982 . 8 1 1 A 75 75 TRP C C 75 177.174 178.479 -1.305 1
1 983 . 8 1 1 A 75 75 TRP CA C 75 58.969 60.087 -1.118 1
1 984 . 8 1 1 A 75 75 TRP CB C 75 29.668 28.862 0.806 1
1 990 . 8 1 1 A 75 75 TRP N N 75 122.056 121.378 0.678 1
1 992 . 8 1 1 A 76 76 ASN H H 76 8.732 8.346 0.386 1
1 993 . 8 1 1 A 76 76 ASN HA H 76 4.606 4.475 0.131 1
1 998 . 8 1 1 A 76 76 ASN C C 76 177.830 176.973 0.857 1
1 999 . 8 1 1 A 76 76 ASN CA C 76 55.925 56.582 -0.657 1
1 1000 . 8 1 1 A 76 76 ASN CB C 76 37.876 38.504 -0.628 1
1 1001 . 8 1 1 A 76 76 ASN N N 76 114.266 120.024 -5.758 1
1 1003 . 8 1 1 A 77 77 LYS H H 77 7.401 7.981 -0.580 1
1 1004 . 8 1 1 A 77 77 LYS HA H 77 3.979 4.000 -0.021 1
1 1013 . 8 1 1 A 77 77 LYS C C 77 178.859 179.230 -0.371 1
1 1014 . 8 1 1 A 77 77 LYS CA C 77 57.800 58.513 -0.713 1
1 1015 . 8 1 1 A 77 77 LYS CB C 77 31.545 32.418 -0.873 1
1 1019 . 8 1 1 A 77 77 LYS N N 77 120.857 118.589 2.268 1
1 1020 . 8 1 1 A 78 78 ILE H H 78 7.754 7.742 0.012 1
1 1021 . 8 1 1 A 78 78 ILE HA H 78 3.679 3.740 -0.061 1
1 1031 . 8 1 1 A 78 78 ILE C C 78 178.202 178.148 0.054 1
1 1032 . 8 1 1 A 78 78 ILE CA C 78 65.997 65.268 0.729 1
1 1033 . 8 1 1 A 78 78 ILE CB C 78 38.343 38.118 0.225 1
1 1037 . 8 1 1 A 78 78 ILE N N 78 118.290 121.262 -2.972 1
1 1038 . 8 1 1 A 79 79 SER H H 79 8.386 8.387 -0.001 1
1 1039 . 8 1 1 A 79 79 SER HA H 79 4.049 4.338 -0.289 1
1 1042 . 8 1 1 A 79 79 SER C C 79 175.627 176.010 -0.383 1
1 1043 . 8 1 1 A 79 79 SER CA C 79 61.084 62.287 -1.203 1
1 1044 . 8 1 1 A 79 79 SER CB C 79 62.720 63.070 -0.350 1
1 1045 . 8 1 1 A 79 79 SER N N 79 114.363 116.430 -2.067 1
1 1046 . 8 1 1 A 80 80 LYS H H 80 7.017 7.938 -0.921 1
1 1047 . 8 1 1 A 80 80 LYS HA H 80 4.005 4.138 -0.133 1
1 1056 . 8 1 1 A 80 80 LYS C C 80 177.361 177.572 -0.211 1
1 1057 . 8 1 1 A 80 80 LYS CA C 80 57.098 57.879 -0.781 1
1 1058 . 8 1 1 A 80 80 LYS CB C 80 31.083 32.369 -1.286 1
1 1062 . 8 1 1 A 80 80 LYS N N 80 118.534 119.988 -1.454 1
1 1063 . 8 1 1 A 81 81 PHE H H 81 7.932 8.353 -0.421 1
1 1064 . 8 1 1 A 81 81 PHE HA H 81 4.467 4.365 0.102 1
1 1071 . 8 1 1 A 81 81 PHE C C 81 174.969 177.535 -2.566 1
1 1072 . 8 1 1 A 81 81 PHE CA C 81 58.500 60.585 -2.085 1
1 1073 . 8 1 1 A 81 81 PHE CB C 81 39.516 39.188 0.328 1
1 1078 . 8 1 1 A 81 81 PHE N N 81 114.880 117.508 -2.628 1
1 1079 . 8 1 1 A 82 82 LEU H H 82 7.487 7.292 0.195 1
1 1080 . 8 1 1 A 82 82 LEU HA H 82 4.666 4.282 0.384 1
1 1090 . 8 1 1 A 82 82 LEU C C 82 175.107 177.489 -2.382 1
1 1091 . 8 1 1 A 82 82 LEU CA C 82 52.875 56.649 -3.774 1
1 1092 . 8 1 1 A 82 82 LEU CB C 82 42.802 42.146 0.656 1
1 1096 . 8 1 1 A 82 82 LEU N N 82 122.945 119.092 3.853 1
1 1097 . 8 1 1 A 83 83 LYS H H 83 8.256 8.079 0.177 1
1 1098 . 8 1 1 A 83 83 LYS HA H 83 4.120 4.034 0.086 1
1 1107 . 8 1 1 A 83 83 LYS C C 83 176.236 176.835 -0.599 1
1 1108 . 8 1 1 A 83 83 LYS CA C 83 56.630 57.755 -1.125 1
1 1109 . 8 1 1 A 83 83 LYS CB C 83 31.786 32.095 -0.309 1
1 1113 . 8 1 1 A 83 83 LYS N N 83 118.856 119.111 -0.255 1
1 1114 . 8 1 1 A 84 84 ASN H H 84 8.684 8.259 0.425 1
1 1115 . 8 1 1 A 84 84 ASN HA H 84 4.304 4.827 -0.523 1
1 1120 . 8 1 1 A 84 84 ASN C C 84 173.846 175.375 -1.529 1
1 1121 . 8 1 1 A 84 84 ASN CA C 84 53.816 53.749 0.067 1
1 1122 . 8 1 1 A 84 84 ASN CB C 84 37.176 40.538 -3.362 1
1 1123 . 8 1 1 A 84 84 ASN N N 84 116.099 116.195 -0.096 1
1 1125 . 8 1 1 A 85 85 ARG H H 85 7.665 7.764 -0.099 1
1 1126 . 8 1 1 A 85 85 ARG HA H 85 4.675 4.733 -0.058 1
1 1132 . 8 1 1 A 85 85 ARG C C 85 175.529 175.083 0.446 1
1 1133 . 8 1 1 A 85 85 ARG CA C 85 53.112 54.135 -1.023 1
1 1134 . 8 1 1 A 85 85 ARG CB C 85 31.783 33.307 -1.524 1
1 1137 . 8 1 1 A 85 85 ARG N N 85 116.162 117.819 -1.657 1
1 1139 . 8 1 1 A 86 86 SER H H 86 8.864 8.557 0.307 1
1 1140 . 8 1 1 A 86 86 SER HA H 86 4.488 4.879 -0.391 1
1 1143 . 8 1 1 A 86 86 SER C C 86 174.407 174.863 -0.456 1
1 1144 . 8 1 1 A 86 86 SER CA C 86 57.093 57.515 -0.422 1
1 1145 . 8 1 1 A 86 86 SER CB C 86 64.840 66.423 -1.583 1
1 1146 . 8 1 1 A 86 86 SER N N 86 119.204 116.853 2.351 1
1 1147 . 8 1 1 A 87 87 ASP H H 87 8.784 8.863 -0.079 1
1 1148 . 8 1 1 A 87 87 ASP HA H 87 4.095 4.383 -0.288 1
1 1151 . 8 1 1 A 87 87 ASP C C 87 178.111 178.259 -0.148 1
1 1152 . 8 1 1 A 87 87 ASP CA C 87 57.801 57.078 0.723 1
1 1153 . 8 1 1 A 87 87 ASP CB C 87 39.056 39.752 -0.696 1
1 1154 . 8 1 1 A 87 87 ASP N N 87 121.415 123.127 -1.712 1
1 1155 . 8 1 1 A 88 88 ASN H H 88 8.491 8.193 0.298 1
1 1156 . 8 1 1 A 88 88 ASN HA H 88 4.166 4.382 -0.216 1
1 1161 . 8 1 1 A 88 88 ASN C C 88 176.842 177.324 -0.482 1
1 1162 . 8 1 1 A 88 88 ASN CA C 88 55.458 56.360 -0.902 1
1 1163 . 8 1 1 A 88 88 ASN CB C 88 38.103 39.357 -1.254 1
1 1164 . 8 1 1 A 88 88 ASN N N 88 115.811 118.218 -2.407 1
1 1166 . 8 1 1 A 89 89 ASN H H 89 7.959 7.773 0.186 1
1 1167 . 8 1 1 A 89 89 ASN HA H 89 4.422 4.470 -0.048 1
1 1172 . 8 1 1 A 89 89 ASN C C 89 178.159 178.052 0.107 1
1 1173 . 8 1 1 A 89 89 ASN CA C 89 56.632 55.731 0.901 1
1 1174 . 8 1 1 A 89 89 ASN CB C 89 39.749 38.519 1.230 1
1 1175 . 8 1 1 A 89 89 ASN N N 89 120.679 117.430 3.249 1
1 1177 . 8 1 1 A 90 90 ILE H H 90 8.373 8.064 0.309 1
1 1178 . 8 1 1 A 90 90 ILE HA H 90 3.840 3.997 -0.157 1
1 1188 . 8 1 1 A 90 90 ILE C C 90 176.191 177.625 -1.434 1
1 1189 . 8 1 1 A 90 90 ILE CA C 90 65.298 64.908 0.390 1
1 1190 . 8 1 1 A 90 90 ILE CB C 90 38.109 37.435 0.674 1
1 1194 . 8 1 1 A 90 90 ILE N N 90 120.840 119.722 1.118 1
1 1195 . 8 1 1 A 91 91 ARG H H 91 7.749 8.309 -0.560 1
1 1196 . 8 1 1 A 91 91 ARG HA H 91 2.077 3.092 -1.015 1
1 1203 . 8 1 1 A 91 91 ARG C C 91 178.063 177.906 0.157 1
1 1204 . 8 1 1 A 91 91 ARG CA C 91 58.500 58.772 -0.272 1
1 1205 . 8 1 1 A 91 91 ARG CB C 91 28.969 29.539 -0.570 1
1 1208 . 8 1 1 A 91 91 ARG N N 91 120.230 120.139 0.091 1
1 1209 . 8 1 1 A 92 92 ASN H H 92 7.959 7.853 0.106 1
1 1210 . 8 1 1 A 92 92 ASN HA H 92 4.167 4.422 -0.255 1
1 1215 . 8 1 1 A 92 92 ASN C C 92 177.689 177.458 0.231 1
1 1216 . 8 1 1 A 92 92 ASN CA C 92 55.640 56.084 -0.444 1
1 1217 . 8 1 1 A 92 92 ASN CB C 92 37.644 38.691 -1.047 1
1 1218 . 8 1 1 A 92 92 ASN N N 92 115.405 117.714 -2.309 1
1 1220 . 8 1 1 A 93 93 ARG H H 93 7.872 8.688 -0.816 1
1 1221 . 8 1 1 A 93 93 ARG HA H 93 3.610 3.867 -0.257 1
1 1229 . 8 1 1 A 93 93 ARG C C 93 177.737 178.743 -1.006 1
1 1230 . 8 1 1 A 93 93 ARG CA C 93 57.263 58.817 -1.554 1
1 1231 . 8 1 1 A 93 93 ARG CB C 93 29.141 29.435 -0.294 1
1 1234 . 8 1 1 A 93 93 ARG N N 93 122.360 119.978 2.382 1
1 1236 . 8 1 1 A 94 94 TRP H H 94 8.411 8.880 -0.469 1
1 1237 . 8 1 1 A 94 94 TRP HA H 94 3.818 4.556 -0.738 1
1 1241 . 8 1 1 A 94 94 TRP N N 94 119.510 122.023 -2.513 1
1 1243 . 8 1 1 A 95 95 MET HA H 95 3.725 4.271 -0.546 1
1 1246 . 8 1 1 A 95 95 MET C C 95 178.580 178.557 0.023 1
1 1247 . 8 1 1 A 95 95 MET CA C 95 57.807 58.421 -0.614 1
1 1248 . 8 1 1 A 95 95 MET CB C 95 32.023 32.343 -0.320 1
1 1249 . 8 1 1 A 96 96 MET H H 96 7.580 7.555 0.025 1
1 1250 . 8 1 1 A 96 96 MET HA H 96 3.980 4.262 -0.282 1
1 1255 . 8 1 1 A 96 96 MET C C 96 178.344 178.051 0.293 1
1 1256 . 8 1 1 A 96 96 MET CA C 96 58.033 57.816 0.217 1
1 1257 . 8 1 1 A 96 96 MET CB C 96 31.783 32.214 -0.431 1
1 1259 . 8 1 1 A 96 96 MET N N 96 118.340 119.088 -0.748 1
1 1260 . 8 1 1 A 97 97 ILE H H 97 7.884 7.583 0.301 1
1 1261 . 8 1 1 A 97 97 ILE HA H 97 3.583 3.807 -0.224 1
1 1271 . 8 1 1 A 97 97 ILE C C 97 178.154 177.622 0.532 1
1 1272 . 8 1 1 A 97 97 ILE CA C 97 63.656 63.722 -0.066 1
1 1273 . 8 1 1 A 97 97 ILE CB C 97 37.637 36.852 0.785 1
1 1277 . 8 1 1 A 97 97 ILE N N 97 120.158 118.677 1.481 1
1 1278 . 8 1 1 A 98 98 ALA H H 98 8.064 8.342 -0.278 1
1 1279 . 8 1 1 A 98 98 ALA HA H 98 3.515 3.827 -0.312 1
1 1283 . 8 1 1 A 98 98 ALA C C 98 180.224 179.836 0.388 1
1 1284 . 8 1 1 A 98 98 ALA CA C 98 54.283 54.411 -0.128 1
1 1285 . 8 1 1 A 98 98 ALA CB C 98 17.251 18.142 -0.891 1
1 1286 . 8 1 1 A 98 98 ALA N N 98 123.446 123.134 0.312 1
1 1287 . 8 1 1 A 99 99 ARG H H 99 7.623 7.911 -0.288 1
1 1288 . 8 1 1 A 99 99 ARG HA H 99 3.934 4.063 -0.129 1
1 1295 . 8 1 1 A 99 99 ARG C C 99 177.923 178.596 -0.673 1
1 1296 . 8 1 1 A 99 99 ARG CA C 99 57.968 58.614 -0.646 1
1 1297 . 8 1 1 A 99 99 ARG CB C 99 29.606 29.797 -0.191 1
1 1300 . 8 1 1 A 99 99 ARG N N 99 117.538 119.045 -1.507 1
1 1301 . 8 1 1 A 100 100 HIS H H 100 7.797 7.846 -0.049 1
1 1302 . 8 1 1 A 100 100 HIS HA H 100 4.409 4.235 0.174 1
1 1307 . 8 1 1 A 100 100 HIS C C 100 176.575 176.998 -0.423 1
1 1308 . 8 1 1 A 100 100 HIS CA C 100 57.109 58.989 -1.880 1
1 1309 . 8 1 1 A 100 100 HIS CB C 100 29.204 29.986 -0.782 1
1 1312 . 8 1 1 A 100 100 HIS N N 100 118.311 119.271 -0.960 1
1 1313 . 8 1 1 A 101 101 ARG H H 101 8.057 7.406 0.651 1
1 1314 . 8 1 1 A 101 101 ARG HA H 101 4.062 3.949 0.113 1
1 1321 . 8 1 1 A 101 101 ARG C C 101 177.220 178.328 -1.108 1
1 1322 . 8 1 1 A 101 101 ARG CA C 101 57.556 58.391 -0.835 1
1 1323 . 8 1 1 A 101 101 ARG CB C 101 30.157 30.049 0.108 1
1 1326 . 8 1 1 A 101 101 ARG N N 101 119.935 118.094 1.841 1
1 1327 . 8 1 1 A 102 102 ALA H H 102 7.917 7.472 0.445 1
1 1328 . 8 1 1 A 102 102 ALA HA H 102 4.167 4.185 -0.018 1
1 1332 . 8 1 1 A 102 102 ALA C C 102 178.532 178.408 0.124 1
1 1333 . 8 1 1 A 102 102 ALA CA C 102 53.103 53.850 -0.747 1
1 1334 . 8 1 1 A 102 102 ALA CB C 102 18.447 18.513 -0.066 1
1 1335 . 8 1 1 A 102 102 ALA N N 102 122.678 121.641 1.037 1
1 1336 . 8 1 1 A 103 103 LYS H H 103 7.884 7.408 0.476 1
1 1337 . 8 1 1 A 103 103 LYS HA H 103 4.121 4.055 0.066 1
1 1346 . 8 1 1 A 103 103 LYS C C 103 177.080 176.167 0.913 1
1 1347 . 8 1 1 A 103 103 LYS CA C 103 56.856 55.405 1.451 1
1 1348 . 8 1 1 A 103 103 LYS CB C 103 32.480 32.066 0.414 1
1 1352 . 8 1 1 A 103 103 LYS N N 103 118.773 116.042 2.731 1
1 1353 . 8 1 1 A 104 104 HIS H H 104 8.118 8.334 -0.216 1
1 1354 . 8 1 1 A 104 104 HIS HA H 104 4.560 4.064 0.496 1
1 1359 . 8 1 1 A 104 104 HIS C C 104 175.204 174.564 0.640 1
1 1360 . 8 1 1 A 104 104 HIS CA C 104 55.932 59.344 -3.412 1
1 1361 . 8 1 1 A 104 104 HIS CB C 104 29.448 27.984 1.464 1
1 1364 . 8 1 1 A 104 104 HIS N N 104 118.685 114.232 4.453 1
1 1365 . 8 1 1 A 105 105 GLN H H 105 8.233 9.024 -0.791 1
1 1366 . 8 1 1 A 105 105 GLN HA H 105 4.218 4.037 0.181 1
1 1373 . 8 1 1 A 105 105 GLN C C 105 176.172 176.869 -0.697 1
1 1374 . 8 1 1 A 105 105 GLN CA C 105 56.130 58.519 -2.389 1
1 1375 . 8 1 1 A 105 105 GLN CB C 105 28.976 28.068 0.908 1
1 1377 . 8 1 1 A 105 105 GLN N N 105 121.104 118.450 2.654 1
1 1379 . 8 1 1 A 106 106 LYS H H 106 8.346 8.265 0.081 1
1 1380 . 8 1 1 A 106 106 LYS HA H 106 4.239 4.054 0.185 1
1 1389 . 8 1 1 A 106 106 LYS C C 106 177.022 179.179 -2.157 1
1 1390 . 8 1 1 A 106 106 LYS CA C 106 56.647 59.443 -2.796 1
1 1391 . 8 1 1 A 106 106 LYS CB C 106 32.481 32.187 0.294 1
1 1395 . 8 1 1 A 106 106 LYS N N 106 122.274 120.127 2.147 1
1 16 . 9 1 1 A 2 2 VAL H H 2 8.319 8.393 -0.074 1
1 17 . 9 1 1 A 2 2 VAL HA H 2 4.096 4.023 0.073 1
1 25 . 9 1 1 A 2 2 VAL C C 2 176.167 177.343 -1.176 1
1 26 . 9 1 1 A 2 2 VAL CA C 2 67.781 61.892 5.889 1
1 27 . 9 1 1 A 2 2 VAL CB C 2 32.484 31.679 0.805 1
1 30 . 9 1 1 A 2 2 VAL N N 2 122.596 123.249 -0.653 1
1 31 . 9 1 1 A 3 3 LYS H H 3 8.470 8.568 -0.098 1
1 32 . 9 1 1 A 3 3 LYS HA H 3 4.327 3.883 0.444 1
1 41 . 9 1 1 A 3 3 LYS C C 3 176.713 176.980 -0.267 1
1 42 . 9 1 1 A 3 3 LYS CA C 3 56.391 59.649 -3.258 1
1 43 . 9 1 1 A 3 3 LYS CB C 3 32.723 32.148 0.575 1
1 47 . 9 1 1 A 3 3 LYS N N 3 127.359 123.958 3.401 1
1 48 . 9 1 1 A 4 4 PHE H H 4 8.471 7.008 1.463 1
1 49 . 9 1 1 A 4 4 PHE HA H 4 4.491 4.658 -0.167 1
1 57 . 9 1 1 A 4 4 PHE C C 4 177.923 175.157 2.766 1
1 58 . 9 1 1 A 4 4 PHE CA C 4 57.566 55.643 1.923 1
1 59 . 9 1 1 A 4 4 PHE CB C 4 39.751 40.888 -1.137 1
1 65 . 9 1 1 A 4 4 PHE N N 4 125.570 117.174 8.396 1
1 66 . 9 1 1 A 5 5 THR H H 5 8.880 8.444 0.436 1
1 67 . 9 1 1 A 5 5 THR HA H 5 4.490 4.695 -0.205 1
1 72 . 9 1 1 A 5 5 THR C C 5 175.297 176.102 -0.805 1
1 73 . 9 1 1 A 5 5 THR CA C 5 60.140 60.616 -0.476 1
1 74 . 9 1 1 A 5 5 THR CB C 5 70.922 70.395 0.527 1
1 76 . 9 1 1 A 5 5 THR N N 5 114.601 115.008 -0.407 1
1 77 . 9 1 1 A 6 6 GLU H H 6 9.000 9.144 -0.144 1
1 78 . 9 1 1 A 6 6 GLU HA H 6 4.142 4.199 -0.057 1
1 83 . 9 1 1 A 6 6 GLU C C 6 179.326 178.662 0.664 1
1 84 . 9 1 1 A 6 6 GLU CA C 6 59.675 59.557 0.118 1
1 85 . 9 1 1 A 6 6 GLU CB C 6 29.203 29.256 -0.053 1
1 87 . 9 1 1 A 6 6 GLU N N 6 121.577 124.852 -3.275 1
1 88 . 9 1 1 A 7 7 GLU H H 7 8.658 8.460 0.198 1
1 89 . 9 1 1 A 7 7 GLU HA H 7 4.026 4.018 0.008 1
1 94 . 9 1 1 A 7 7 GLU C C 7 179.616 178.896 0.720 1
1 95 . 9 1 1 A 7 7 GLU CA C 7 59.683 59.647 0.036 1
1 96 . 9 1 1 A 7 7 GLU CB C 7 28.972 29.095 -0.123 1
1 98 . 9 1 1 A 7 7 GLU N N 7 118.231 119.792 -1.561 1
1 99 . 9 1 1 A 8 8 GLU H H 8 7.930 8.380 -0.450 1
1 100 . 9 1 1 A 8 8 GLU HA H 8 3.955 4.056 -0.101 1
1 105 . 9 1 1 A 8 8 GLU C C 8 178.395 178.164 0.231 1
1 106 . 9 1 1 A 8 8 GLU CA C 8 59.672 59.515 0.157 1
1 107 . 9 1 1 A 8 8 GLU CB C 8 31.318 29.192 2.126 1
1 109 . 9 1 1 A 8 8 GLU N N 8 121.169 119.597 1.572 1
1 110 . 9 1 1 A 9 9 ASP H H 9 8.507 7.995 0.512 1
1 111 . 9 1 1 A 9 9 ASP HA H 9 4.677 4.193 0.484 1
1 114 . 9 1 1 A 9 9 ASP C C 9 179.329 178.108 1.221 1
1 115 . 9 1 1 A 9 9 ASP CA C 9 57.562 57.006 0.556 1
1 116 . 9 1 1 A 9 9 ASP CB C 9 40.217 41.357 -1.140 1
1 117 . 9 1 1 A 9 9 ASP N N 9 121.164 120.115 1.049 1
1 118 . 9 1 1 A 10 10 LEU H H 10 8.042 7.625 0.417 1
1 119 . 9 1 1 A 10 10 LEU HA H 10 4.143 4.014 0.129 1
1 129 . 9 1 1 A 10 10 LEU C C 10 179.329 179.157 0.172 1
1 130 . 9 1 1 A 10 10 LEU CA C 10 57.796 57.383 0.413 1
1 131 . 9 1 1 A 10 10 LEU CB C 10 41.392 41.230 0.162 1
1 135 . 9 1 1 A 10 10 LEU N N 10 120.628 119.764 0.864 1
1 136 . 9 1 1 A 11 11 LYS H H 11 8.040 8.381 -0.341 1
1 137 . 9 1 1 A 11 11 LYS HA H 11 4.049 4.031 0.018 1
1 146 . 9 1 1 A 11 11 LYS C C 11 178.345 178.663 -0.318 1
1 147 . 9 1 1 A 11 11 LYS CA C 11 59.199 58.919 0.280 1
1 148 . 9 1 1 A 11 11 LYS CB C 11 32.488 32.148 0.340 1
1 152 . 9 1 1 A 11 11 LYS N N 11 121.016 121.060 -0.044 1
1 153 . 9 1 1 A 12 12 LEU H H 12 8.865 7.934 0.931 1
1 154 . 9 1 1 A 12 12 LEU HA H 12 4.258 4.082 0.176 1
1 164 . 9 1 1 A 12 12 LEU C C 12 178.298 179.097 -0.799 1
1 165 . 9 1 1 A 12 12 LEU CA C 12 58.500 57.746 0.754 1
1 166 . 9 1 1 A 12 12 LEU CB C 12 41.389 41.342 0.047 1
1 169 . 9 1 1 A 12 12 LEU N N 12 120.138 120.138 0.000 1
1 170 . 9 1 1 A 13 13 GLN H H 13 8.400 7.727 0.673 1
1 171 . 9 1 1 A 13 13 GLN HA H 13 4.097 4.083 0.014 1
1 178 . 9 1 1 A 13 13 GLN C C 13 178.254 177.985 0.269 1
1 179 . 9 1 1 A 13 13 GLN CA C 13 59.693 59.420 0.273 1
1 180 . 9 1 1 A 13 13 GLN CB C 13 28.733 28.221 0.512 1
1 182 . 9 1 1 A 13 13 GLN N N 13 117.136 118.459 -1.323 1
1 184 . 9 1 1 A 14 14 GLN H H 14 8.175 7.388 0.787 1
1 185 . 9 1 1 A 14 14 GLN HA H 14 3.980 4.192 -0.212 1
1 192 . 9 1 1 A 14 14 GLN C C 14 179.518 178.493 1.025 1
1 193 . 9 1 1 A 14 14 GLN CA C 14 58.745 58.172 0.573 1
1 194 . 9 1 1 A 14 14 GLN CB C 14 28.034 28.935 -0.901 1
1 196 . 9 1 1 A 14 14 GLN N N 14 117.947 118.127 -0.180 1
1 198 . 9 1 1 A 15 15 LEU H H 15 8.721 8.488 0.233 1
1 199 . 9 1 1 A 15 15 LEU HA H 15 4.143 3.965 0.178 1
1 209 . 9 1 1 A 15 15 LEU C C 15 178.956 179.112 -0.156 1
1 210 . 9 1 1 A 15 15 LEU CA C 15 57.562 58.044 -0.482 1
1 211 . 9 1 1 A 15 15 LEU CB C 15 42.801 42.186 0.615 1
1 215 . 9 1 1 A 15 15 LEU N N 15 120.641 120.095 0.546 1
1 216 . 9 1 1 A 16 16 VAL H H 16 8.603 8.589 0.014 1
1 217 . 9 1 1 A 16 16 VAL HA H 16 3.230 3.350 -0.120 1
1 225 . 9 1 1 A 16 16 VAL C C 16 179.988 177.931 2.057 1
1 226 . 9 1 1 A 16 16 VAL CA C 16 65.733 67.076 -1.343 1
1 227 . 9 1 1 A 16 16 VAL CB C 16 30.609 31.245 -0.636 1
1 230 . 9 1 1 A 16 16 VAL N N 16 120.873 117.601 3.272 1
1 231 . 9 1 1 A 17 17 MET H H 17 8.058 7.903 0.155 1
1 232 . 9 1 1 A 17 17 MET HA H 17 4.050 4.191 -0.141 1
1 237 . 9 1 1 A 17 17 MET C C 17 177.501 178.318 -0.817 1
1 238 . 9 1 1 A 17 17 MET CA C 17 58.270 58.176 0.094 1
1 239 . 9 1 1 A 17 17 MET CB C 17 31.784 32.195 -0.411 1
1 241 . 9 1 1 A 17 17 MET N N 17 119.240 120.122 -0.882 1
1 242 . 9 1 1 A 18 18 ARG H H 18 7.406 7.854 -0.448 1
1 243 . 9 1 1 A 18 18 ARG HA H 18 3.957 3.882 0.075 1
1 250 . 9 1 1 A 18 18 ARG C C 18 177.691 177.072 0.619 1
1 251 . 9 1 1 A 18 18 ARG CA C 18 58.301 58.285 0.016 1
1 252 . 9 1 1 A 18 18 ARG CB C 18 30.842 29.770 1.072 1
1 255 . 9 1 1 A 18 18 ARG N N 18 117.487 120.555 -3.068 1
1 256 . 9 1 1 A 19 19 TYR H H 19 8.571 7.152 1.419 1
1 257 . 9 1 1 A 19 19 TYR HA H 19 4.490 4.479 0.011 1
1 264 . 9 1 1 A 19 19 TYR C C 19 176.706 175.728 0.978 1
1 265 . 9 1 1 A 19 19 TYR CA C 19 58.739 57.625 1.114 1
1 266 . 9 1 1 A 19 19 TYR CB C 19 39.044 38.645 0.399 1
1 271 . 9 1 1 A 19 19 TYR N N 19 115.284 115.229 0.055 1
1 272 . 9 1 1 A 20 20 GLY H H 20 8.148 9.435 -1.287 1
1 273 . 9 1 1 A 20 20 GLY HA2 H 20 3.609 3.827 -0.218 1
1 274 . 9 1 1 A 20 20 GLY HA3 H 20 4.137 3.836 0.301 1
1 275 . 9 1 1 A 20 20 GLY C C 20 171.784 173.641 -1.857 1
1 276 . 9 1 1 A 20 20 GLY CA C 20 43.972 46.539 -2.567 1
1 277 . 9 1 1 A 20 20 GLY N N 20 110.830 108.420 2.410 1
1 278 . 9 1 1 A 21 21 ALA H H 21 7.886 7.549 0.337 1
1 279 . 9 1 1 A 21 21 ALA HA H 21 3.400 3.960 -0.560 1
1 283 . 9 1 1 A 21 21 ALA C C 21 176.002 176.928 -0.926 1
1 284 . 9 1 1 A 21 21 ALA CA C 21 49.825 51.058 -1.233 1
1 285 . 9 1 1 A 21 21 ALA CB C 21 17.960 18.542 -0.582 1
1 286 . 9 1 1 A 21 21 ALA N N 21 119.337 121.982 -2.645 1
1 287 . 9 1 1 A 22 22 LYS H H 22 7.424 7.679 -0.255 1
1 288 . 9 1 1 A 22 22 LYS HA H 22 4.258 4.590 -0.332 1
1 297 . 9 1 1 A 22 22 LYS C C 22 175.769 176.064 -0.295 1
1 298 . 9 1 1 A 22 22 LYS CA C 22 55.921 56.488 -0.567 1
1 299 . 9 1 1 A 22 22 LYS CB C 22 33.371 34.546 -1.175 1
1 303 . 9 1 1 A 22 22 LYS N N 22 115.793 114.366 1.427 1
1 304 . 9 1 1 A 23 23 ASP H H 23 7.724 7.453 0.271 1
1 305 . 9 1 1 A 23 23 ASP HA H 23 4.700 4.921 -0.221 1
1 308 . 9 1 1 A 23 23 ASP C C 23 176.142 176.238 -0.096 1
1 309 . 9 1 1 A 23 23 ASP CA C 23 51.704 52.985 -1.281 1
1 310 . 9 1 1 A 23 23 ASP CB C 23 39.514 40.659 -1.145 1
1 311 . 9 1 1 A 23 23 ASP N N 23 119.398 118.566 0.832 1
1 312 . 9 1 1 A 24 24 TRP H H 24 8.035 7.757 0.278 1
1 313 . 9 1 1 A 24 24 TRP HA H 24 4.258 4.296 -0.038 1
1 322 . 9 1 1 A 24 24 TRP C C 24 178.252 178.144 0.108 1
1 323 . 9 1 1 A 24 24 TRP CA C 24 58.736 59.603 -0.867 1
1 324 . 9 1 1 A 24 24 TRP CB C 24 28.970 28.443 0.527 1
1 330 . 9 1 1 A 24 24 TRP N N 24 123.130 120.316 2.814 1
1 332 . 9 1 1 A 25 25 ILE H H 25 8.092 7.753 0.339 1
1 333 . 9 1 1 A 25 25 ILE HA H 25 3.724 3.824 -0.100 1
1 343 . 9 1 1 A 25 25 ILE C C 25 177.806 178.011 -0.205 1
1 344 . 9 1 1 A 25 25 ILE CA C 25 65.060 64.744 0.316 1
1 345 . 9 1 1 A 25 25 ILE CB C 25 36.234 37.335 -1.101 1
1 349 . 9 1 1 A 25 25 ILE N N 25 121.518 115.598 5.920 1
1 350 . 9 1 1 A 26 26 ARG H H 26 7.503 7.847 -0.344 1
1 351 . 9 1 1 A 26 26 ARG HA H 26 3.864 3.934 -0.070 1
1 358 . 9 1 1 A 26 26 ARG C C 26 178.303 178.178 0.125 1
1 359 . 9 1 1 A 26 26 ARG CA C 26 58.267 59.356 -1.089 1
1 360 . 9 1 1 A 26 26 ARG CB C 26 29.680 30.388 -0.708 1
1 363 . 9 1 1 A 26 26 ARG N N 26 122.119 120.664 1.455 1
1 364 . 9 1 1 A 27 27 ILE H H 27 7.340 7.573 -0.233 1
1 365 . 9 1 1 A 27 27 ILE HA H 27 3.450 3.720 -0.270 1
1 375 . 9 1 1 A 27 27 ILE C C 27 177.689 178.414 -0.725 1
1 376 . 9 1 1 A 27 27 ILE CA C 27 63.893 65.267 -1.374 1
1 377 . 9 1 1 A 27 27 ILE CB C 27 36.474 37.296 -0.822 1
1 381 . 9 1 1 A 27 27 ILE N N 27 115.446 120.744 -5.298 1
1 382 . 9 1 1 A 28 28 SER H H 28 8.203 7.960 0.243 1
1 383 . 9 1 1 A 28 28 SER HA H 28 4.144 4.316 -0.172 1
1 386 . 9 1 1 A 28 28 SER C C 28 177.220 177.302 -0.082 1
1 387 . 9 1 1 A 28 28 SER CA C 28 61.085 61.453 -0.368 1
1 388 . 9 1 1 A 28 28 SER CB C 28 63.421 63.052 0.369 1
1 389 . 9 1 1 A 28 28 SER N N 28 113.324 116.899 -3.575 1
1 390 . 9 1 1 A 29 29 GLN H H 29 8.177 7.330 0.847 1
1 391 . 9 1 1 A 29 29 GLN HA H 29 4.003 4.083 -0.080 1
1 398 . 9 1 1 A 29 29 GLN C C 29 178.910 179.123 -0.213 1
1 399 . 9 1 1 A 29 29 GLN CA C 29 58.503 58.877 -0.374 1
1 400 . 9 1 1 A 29 29 GLN CB C 29 27.796 28.227 -0.431 1
1 402 . 9 1 1 A 29 29 GLN N N 29 120.561 121.524 -0.963 1
1 404 . 9 1 1 A 30 30 LEU H H 30 7.494 7.539 -0.045 1
1 405 . 9 1 1 A 30 30 LEU HA H 30 4.258 4.078 0.180 1
1 415 . 9 1 1 A 30 30 LEU C C 30 178.956 177.438 1.518 1
1 416 . 9 1 1 A 30 30 LEU CA C 30 55.675 57.467 -1.792 1
1 417 . 9 1 1 A 30 30 LEU CB C 30 42.559 41.903 0.656 1
1 421 . 9 1 1 A 30 30 LEU N N 30 118.106 120.034 -1.928 1
1 422 . 9 1 1 A 31 31 MET H H 31 8.399 7.227 1.172 1
1 423 . 9 1 1 A 31 31 MET HA H 31 4.329 4.935 -0.606 1
1 428 . 9 1 1 A 31 31 MET C C 31 179.515 176.191 3.324 1
1 429 . 9 1 1 A 31 31 MET CA C 31 55.921 54.354 1.567 1
1 430 . 9 1 1 A 31 31 MET CB C 31 31.310 31.851 -0.541 1
1 432 . 9 1 1 A 31 31 MET N N 31 120.008 115.373 4.635 1
1 433 . 9 1 1 A 32 32 ILE H H 32 8.177 8.008 0.169 1
1 434 . 9 1 1 A 32 32 ILE HA H 32 3.423 4.083 -0.660 1
1 444 . 9 1 1 A 32 32 ILE C C 32 179.473 177.810 1.663 1
1 445 . 9 1 1 A 32 32 ILE CA C 32 67.639 63.466 4.173 1
1 446 . 9 1 1 A 32 32 ILE CB C 32 35.767 37.672 -1.905 1
1 450 . 9 1 1 A 32 32 ILE N N 32 114.338 119.409 -5.071 1
1 451 . 9 1 1 A 33 33 THR H H 33 8.957 7.898 1.059 1
1 452 . 9 1 1 A 33 33 THR HA H 33 4.143 4.232 -0.089 1
1 457 . 9 1 1 A 33 33 THR C C 33 174.361 174.218 0.143 1
1 458 . 9 1 1 A 33 33 THR CA C 33 62.251 64.096 -1.845 1
1 459 . 9 1 1 A 33 33 THR CB C 33 68.581 68.862 -0.281 1
1 461 . 9 1 1 A 33 33 THR N N 33 110.164 116.561 -6.397 1
1 462 . 9 1 1 A 34 34 ARG H H 34 6.509 7.646 -1.137 1
1 463 . 9 1 1 A 34 34 ARG HA H 34 4.862 4.823 0.039 1
1 470 . 9 1 1 A 34 34 ARG C C 34 174.922 174.290 0.632 1
1 471 . 9 1 1 A 34 34 ARG CA C 34 51.939 54.406 -2.467 1
1 472 . 9 1 1 A 34 34 ARG CB C 34 36.061 33.419 2.642 1
1 475 . 9 1 1 A 34 34 ARG N N 34 116.058 118.503 -2.445 1
1 476 . 9 1 1 A 35 35 ASN H H 35 8.733 8.841 -0.108 1
1 477 . 9 1 1 A 35 35 ASN HA H 35 4.810 5.189 -0.379 1
1 482 . 9 1 1 A 35 35 ASN C C 35 173.986 175.546 -1.560 1
1 483 . 9 1 1 A 35 35 ASN CA C 35 52.107 50.957 1.150 1
1 484 . 9 1 1 A 35 35 ASN CB C 35 36.636 38.446 -1.810 1
1 485 . 9 1 1 A 35 35 ASN N N 35 122.840 117.897 4.943 1
1 487 . 9 1 1 A 36 36 PRO HA H 36 4.197 4.629 -0.432 1
1 494 . 9 1 1 A 36 36 PRO C C 36 178.019 178.088 -0.069 1
1 495 . 9 1 1 A 36 36 PRO CA C 36 67.412 65.763 1.649 1
1 496 . 9 1 1 A 36 36 PRO CB C 36 32.018 31.898 0.120 1
1 499 . 9 1 1 A 37 37 ARG H H 37 7.804 8.249 -0.445 1
1 500 . 9 1 1 A 37 37 ARG HA H 37 3.749 3.963 -0.214 1
1 507 . 9 1 1 A 37 37 ARG C C 37 178.300 178.622 -0.322 1
1 508 . 9 1 1 A 37 37 ARG CA C 37 59.202 59.060 0.142 1
1 509 . 9 1 1 A 37 37 ARG CB C 37 29.435 29.539 -0.104 1
1 512 . 9 1 1 A 37 37 ARG N N 37 117.759 117.339 0.420 1
1 513 . 9 1 1 A 38 38 GLN H H 38 8.682 8.556 0.126 1
1 514 . 9 1 1 A 38 38 GLN HA H 38 4.043 4.257 -0.214 1
1 521 . 9 1 1 A 38 38 GLN C C 38 180.078 178.560 1.518 1
1 522 . 9 1 1 A 38 38 GLN CA C 38 58.506 59.092 -0.586 1
1 523 . 9 1 1 A 38 38 GLN CB C 38 29.431 28.505 0.926 1
1 525 . 9 1 1 A 38 38 GLN N N 38 117.504 117.882 -0.378 1
1 527 . 9 1 1 A 39 39 CYS H H 39 8.095 7.955 0.140 1
1 528 . 9 1 1 A 39 39 CYS HA H 39 4.059 4.372 -0.313 1
1 531 . 9 1 1 A 39 39 CYS C C 39 173.893 177.179 -3.286 1
1 532 . 9 1 1 A 39 39 CYS CA C 39 64.592 62.831 1.761 1
1 533 . 9 1 1 A 39 39 CYS CB C 39 27.328 26.907 0.421 1
1 534 . 9 1 1 A 39 39 CYS N N 39 116.291 118.645 -2.354 1
1 535 . 9 1 1 A 40 40 ARG H H 40 7.589 7.703 -0.114 1
1 536 . 9 1 1 A 40 40 ARG HA H 40 1.821 2.634 -0.813 1
1 543 . 9 1 1 A 40 40 ARG C C 40 178.204 178.680 -0.476 1
1 544 . 9 1 1 A 40 40 ARG CA C 40 58.264 58.869 -0.605 1
1 545 . 9 1 1 A 40 40 ARG CB C 40 29.440 29.256 0.184 1
1 548 . 9 1 1 A 40 40 ARG N N 40 121.272 122.379 -1.107 1
1 549 . 9 1 1 A 41 41 GLU H H 41 8.352 8.156 0.196 1
1 550 . 9 1 1 A 41 41 GLU HA H 41 3.817 3.977 -0.160 1
1 555 . 9 1 1 A 41 41 GLU C C 41 178.718 179.736 -1.018 1
1 556 . 9 1 1 A 41 41 GLU CA C 41 58.971 59.408 -0.437 1
1 557 . 9 1 1 A 41 41 GLU CB C 41 28.972 29.255 -0.283 1
1 559 . 9 1 1 A 41 41 GLU N N 41 117.034 117.435 -0.401 1
1 560 . 9 1 1 A 42 42 ARG H H 42 7.755 7.548 0.207 1
1 561 . 9 1 1 A 42 42 ARG HA H 42 3.931 4.255 -0.324 1
1 568 . 9 1 1 A 42 42 ARG C C 42 179.333 178.446 0.887 1
1 569 . 9 1 1 A 42 42 ARG CA C 42 57.261 59.722 -2.461 1
1 570 . 9 1 1 A 42 42 ARG CB C 42 29.610 30.015 -0.405 1
1 573 . 9 1 1 A 42 42 ARG N N 42 119.603 119.877 -0.274 1
1 574 . 9 1 1 A 43 43 TRP H H 43 8.199 8.096 0.103 1
1 575 . 9 1 1 A 43 43 TRP HA H 43 4.292 4.368 -0.076 1
1 579 . 9 1 1 A 43 43 TRP C C 43 176.705 178.397 -1.692 1
1 580 . 9 1 1 A 43 43 TRP CA C 43 57.006 61.352 -4.346 1
1 581 . 9 1 1 A 43 43 TRP CB C 43 29.620 29.789 -0.169 1
1 582 . 9 1 1 A 43 43 TRP N N 43 119.355 122.224 -2.869 1
1 584 . 9 1 1 A 44 44 ASN H H 44 8.478 8.414 0.064 1
1 585 . 9 1 1 A 44 44 ASN HA H 44 4.177 4.417 -0.240 1
1 590 . 9 1 1 A 44 44 ASN C C 44 176.986 177.471 -0.485 1
1 591 . 9 1 1 A 44 44 ASN CA C 44 55.457 56.156 -0.699 1
1 592 . 9 1 1 A 44 44 ASN CB C 44 38.347 37.786 0.561 1
1 593 . 9 1 1 A 44 44 ASN N N 44 113.530 117.429 -3.899 1
1 595 . 9 1 1 A 45 45 ASN H H 45 8.060 7.992 0.068 1
1 596 . 9 1 1 A 45 45 ASN HA H 45 4.630 4.701 -0.071 1
1 601 . 9 1 1 A 45 45 ASN C C 45 175.347 175.100 0.247 1
1 602 . 9 1 1 A 45 45 ASN CA C 45 53.350 53.764 -0.414 1
1 603 . 9 1 1 A 45 45 ASN CB C 45 39.047 38.740 0.307 1
1 604 . 9 1 1 A 45 45 ASN N N 45 112.540 116.940 -4.400 1
1 606 . 9 1 1 A 46 46 TYR H H 46 7.443 7.957 -0.514 1
1 607 . 9 1 1 A 46 46 TYR HA H 46 4.447 4.888 -0.441 1
1 614 . 9 1 1 A 46 46 TYR C C 46 175.439 175.027 0.412 1
1 615 . 9 1 1 A 46 46 TYR CA C 46 60.074 59.212 0.862 1
1 616 . 9 1 1 A 46 46 TYR CB C 46 40.383 40.464 -0.081 1
1 621 . 9 1 1 A 46 46 TYR N N 46 117.403 118.844 -1.441 1
1 622 . 9 1 1 A 47 47 ILE HA H 47 3.786 4.593 -0.807 1
1 632 . 9 1 1 A 47 47 ILE C C 47 175.440 173.791 1.649 1
1 633 . 9 1 1 A 47 47 ILE CA C 47 62.240 59.223 3.017 1
1 634 . 9 1 1 A 47 47 ILE CB C 47 38.670 40.913 -2.243 1
1 638 . 9 1 1 A 48 48 ASN H H 48 7.922 8.674 -0.752 1
1 639 . 9 1 1 A 48 48 ASN HA H 48 3.795 4.238 -0.443 1
1 642 . 9 1 1 A 48 48 ASN C C 48 174.640 174.564 0.076 1
1 643 . 9 1 1 A 48 48 ASN N N 48 119.990 120.349 -0.359 1
1 645 . 9 1 1 A 49 49 PRO HA H 49 4.166 4.401 -0.235 1
1 652 . 9 1 1 A 49 49 PRO C C 49 177.408 176.898 0.510 1
1 653 . 9 1 1 A 49 49 PRO CA C 49 64.124 65.111 -0.987 1
1 654 . 9 1 1 A 49 49 PRO CB C 49 31.313 31.595 -0.282 1
1 657 . 9 1 1 A 50 50 ALA H H 50 7.595 7.874 -0.279 1
1 658 . 9 1 1 A 50 50 ALA HA H 50 4.128 4.510 -0.382 1
1 662 . 9 1 1 A 50 50 ALA C C 50 178.251 177.347 0.904 1
1 663 . 9 1 1 A 50 50 ALA CA C 50 52.642 51.861 0.781 1
1 664 . 9 1 1 A 50 50 ALA CB C 50 18.422 19.829 -1.407 1
1 665 . 9 1 1 A 50 50 ALA N N 50 120.036 118.880 1.156 1
1 666 . 9 1 1 A 51 51 LEU H H 51 7.586 8.075 -0.489 1
1 667 . 9 1 1 A 51 51 LEU HA H 51 4.119 4.059 0.060 1
1 677 . 9 1 1 A 51 51 LEU C C 51 177.686 178.567 -0.881 1
1 678 . 9 1 1 A 51 51 LEU CA C 51 55.219 56.759 -1.540 1
1 679 . 9 1 1 A 51 51 LEU CB C 51 41.883 41.379 0.504 1
1 683 . 9 1 1 A 51 51 LEU N N 51 118.197 118.542 -0.345 1
1 684 . 9 1 1 A 52 52 ARG H H 52 8.013 7.968 0.045 1
1 685 . 9 1 1 A 52 52 ARG HA H 52 4.334 4.122 0.212 1
1 692 . 9 1 1 A 52 52 ARG C C 52 176.658 176.332 0.326 1
1 693 . 9 1 1 A 52 52 ARG CA C 52 55.923 58.758 -2.835 1
1 694 . 9 1 1 A 52 52 ARG CB C 52 31.086 30.242 0.844 1
1 697 . 9 1 1 A 52 52 ARG N N 52 119.899 118.704 1.195 1
1 698 . 9 1 1 A 53 53 THR H H 53 8.187 7.697 0.490 1
1 699 . 9 1 1 A 53 53 THR HA H 53 4.345 4.595 -0.250 1
1 704 . 9 1 1 A 53 53 THR C C 53 173.892 172.219 1.673 1
1 705 . 9 1 1 A 53 53 THR CA C 53 60.611 61.055 -0.444 1
1 706 . 9 1 1 A 53 53 THR CB C 53 69.514 69.241 0.273 1
1 708 . 9 1 1 A 53 53 THR N N 53 113.907 113.254 0.653 1
1 709 . 9 1 1 A 54 54 ASP H H 54 8.430 7.784 0.646 1
1 710 . 9 1 1 A 54 54 ASP HA H 54 4.810 5.219 -0.409 1
1 713 . 9 1 1 A 54 54 ASP C C 54 174.082 173.231 0.851 1
1 714 . 9 1 1 A 54 54 ASP CA C 54 52.578 51.562 1.016 1
1 715 . 9 1 1 A 54 54 ASP CB C 54 39.685 41.706 -2.021 1
1 716 . 9 1 1 A 54 54 ASP N N 54 123.174 126.236 -3.062 1
1 717 . 9 1 1 A 55 55 PRO HA H 55 4.561 4.689 -0.128 1
1 724 . 9 1 1 A 55 55 PRO C C 55 177.127 176.684 0.443 1
1 725 . 9 1 1 A 55 55 PRO CA C 55 62.958 62.318 0.640 1
1 726 . 9 1 1 A 55 55 PRO CB C 55 32.013 32.230 -0.217 1
1 729 . 9 1 1 A 56 56 TRP H H 56 8.721 7.644 1.077 1
1 730 . 9 1 1 A 56 56 TRP HA H 56 4.351 4.963 -0.612 1
1 739 . 9 1 1 A 56 56 TRP C C 56 177.127 175.022 2.105 1
1 740 . 9 1 1 A 56 56 TRP CA C 56 57.796 56.196 1.600 1
1 741 . 9 1 1 A 56 56 TRP CB C 56 28.732 31.371 -2.639 1
1 747 . 9 1 1 A 56 56 TRP N N 56 124.713 120.758 3.955 1
1 749 . 9 1 1 A 57 57 SER H H 57 9.085 8.656 0.429 1
1 750 . 9 1 1 A 57 57 SER HA H 57 4.957 4.859 0.098 1
1 753 . 9 1 1 A 57 57 SER C C 57 173.562 173.889 -0.327 1
1 754 . 9 1 1 A 57 57 SER CA C 57 55.852 55.843 0.009 1
1 755 . 9 1 1 A 57 57 SER CB C 57 63.824 65.780 -1.956 1
1 756 . 9 1 1 A 57 57 SER N N 57 122.041 115.359 6.682 1
1 757 . 9 1 1 A 58 58 PRO HA H 58 4.444 4.314 0.130 1
1 764 . 9 1 1 A 58 58 PRO C C 58 179.777 178.763 1.014 1
1 765 . 9 1 1 A 58 58 PRO CA C 58 65.071 65.167 -0.096 1
1 766 . 9 1 1 A 58 58 PRO CB C 58 31.546 31.919 -0.373 1
1 769 . 9 1 1 A 59 59 GLU H H 59 8.788 8.450 0.338 1
1 770 . 9 1 1 A 59 59 GLU HA H 59 4.088 4.109 -0.021 1
1 775 . 9 1 1 A 59 59 GLU C C 59 179.656 179.276 0.380 1
1 776 . 9 1 1 A 59 59 GLU CA C 59 60.373 59.969 0.404 1
1 777 . 9 1 1 A 59 59 GLU CB C 59 28.505 29.068 -0.563 1
1 779 . 9 1 1 A 59 59 GLU N N 59 117.546 117.262 0.284 1
1 780 . 9 1 1 A 60 60 GLU H H 60 7.977 8.075 -0.098 1
1 781 . 9 1 1 A 60 60 GLU HA H 60 4.015 4.081 -0.066 1
1 786 . 9 1 1 A 60 60 GLU C C 60 178.440 178.814 -0.374 1
1 787 . 9 1 1 A 60 60 GLU CA C 60 59.913 59.066 0.847 1
1 788 . 9 1 1 A 60 60 GLU CB C 60 31.541 28.623 2.918 1
1 790 . 9 1 1 A 60 60 GLU N N 60 122.264 119.722 2.542 1
1 791 . 9 1 1 A 61 61 ASP H H 61 8.267 8.158 0.109 1
1 792 . 9 1 1 A 61 61 ASP HA H 61 4.654 4.615 0.039 1
1 795 . 9 1 1 A 61 61 ASP C C 61 179.469 178.749 0.720 1
1 796 . 9 1 1 A 61 61 ASP CA C 61 57.562 57.746 -0.184 1
1 797 . 9 1 1 A 61 61 ASP CB C 61 39.987 41.737 -1.750 1
1 798 . 9 1 1 A 61 61 ASP N N 61 120.543 120.320 0.223 1
1 799 . 9 1 1 A 62 62 MET H H 62 8.139 8.376 -0.237 1
1 800 . 9 1 1 A 62 62 MET HA H 62 4.284 4.267 0.017 1
1 805 . 9 1 1 A 62 62 MET C C 62 178.811 178.404 0.407 1
1 806 . 9 1 1 A 62 62 MET CA C 62 58.505 58.646 -0.141 1
1 807 . 9 1 1 A 62 62 MET CB C 62 32.251 32.564 -0.313 1
1 809 . 9 1 1 A 62 62 MET N N 62 119.343 118.008 1.335 1
1 810 . 9 1 1 A 63 63 LEU H H 63 7.959 7.792 0.167 1
1 811 . 9 1 1 A 63 63 LEU HA H 63 4.212 4.099 0.113 1
1 821 . 9 1 1 A 63 63 LEU C C 63 177.642 178.465 -0.823 1
1 822 . 9 1 1 A 63 63 LEU CA C 63 57.562 56.992 0.570 1
1 823 . 9 1 1 A 63 63 LEU CB C 63 42.096 41.614 0.482 1
1 827 . 9 1 1 A 63 63 LEU N N 63 122.676 120.301 2.375 1
1 828 . 9 1 1 A 64 64 LEU H H 64 8.784 8.400 0.384 1
1 829 . 9 1 1 A 64 64 LEU HA H 64 4.119 4.007 0.112 1
1 839 . 9 1 1 A 64 64 LEU C C 64 177.515 177.938 -0.423 1
1 840 . 9 1 1 A 64 64 LEU CA C 64 58.738 57.418 1.320 1
1 841 . 9 1 1 A 64 64 LEU CB C 64 41.395 42.073 -0.678 1
1 845 . 9 1 1 A 64 64 LEU N N 64 120.877 120.455 0.422 1
1 846 . 9 1 1 A 65 65 ASP H H 65 8.085 8.899 -0.814 1
1 847 . 9 1 1 A 65 65 ASP HA H 65 4.630 4.311 0.319 1
1 850 . 9 1 1 A 65 65 ASP C C 65 179.391 178.680 0.711 1
1 851 . 9 1 1 A 65 65 ASP CA C 65 57.566 57.385 0.181 1
1 852 . 9 1 1 A 65 65 ASP CB C 65 41.626 41.934 -0.308 1
1 853 . 9 1 1 A 65 65 ASP N N 65 118.583 119.139 -0.556 1
1 854 . 9 1 1 A 66 66 GLN H H 66 8.336 7.977 0.359 1
1 855 . 9 1 1 A 66 66 GLN HA H 66 4.050 3.982 0.068 1
1 862 . 9 1 1 A 66 66 GLN C C 66 179.565 178.383 1.182 1
1 863 . 9 1 1 A 66 66 GLN CA C 66 58.739 59.127 -0.388 1
1 864 . 9 1 1 A 66 66 GLN CB C 66 28.502 28.650 -0.148 1
1 866 . 9 1 1 A 66 66 GLN N N 66 118.725 118.982 -0.257 1
1 868 . 9 1 1 A 67 67 LYS H H 67 9.126 7.650 1.476 1
1 869 . 9 1 1 A 67 67 LYS HA H 67 4.142 4.155 -0.013 1
1 878 . 9 1 1 A 67 67 LYS C C 67 178.671 178.897 -0.226 1
1 879 . 9 1 1 A 67 67 LYS CA C 67 56.156 58.945 -2.789 1
1 880 . 9 1 1 A 67 67 LYS CB C 67 31.550 32.701 -1.151 1
1 884 . 9 1 1 A 67 67 LYS N N 67 117.220 119.079 -1.859 1
1 885 . 9 1 1 A 68 68 TYR H H 68 9.361 8.644 0.717 1
1 886 . 9 1 1 A 68 68 TYR HA H 68 3.819 4.061 -0.242 1
1 893 . 9 1 1 A 68 68 TYR C C 68 179.235 177.807 1.428 1
1 894 . 9 1 1 A 68 68 TYR CA C 68 61.547 61.914 -0.367 1
1 895 . 9 1 1 A 68 68 TYR CB C 68 37.881 38.601 -0.720 1
1 900 . 9 1 1 A 68 68 TYR N N 68 123.884 120.822 3.062 1
1 901 . 9 1 1 A 69 69 ALA H H 69 7.810 8.119 -0.309 1
1 902 . 9 1 1 A 69 69 ALA HA H 69 3.980 3.908 0.072 1
1 906 . 9 1 1 A 69 69 ALA C C 69 178.673 179.188 -0.515 1
1 907 . 9 1 1 A 69 69 ALA CA C 69 54.755 55.215 -0.460 1
1 908 . 9 1 1 A 69 69 ALA CB C 69 17.253 18.465 -1.212 1
1 909 . 9 1 1 A 69 69 ALA N N 69 121.733 121.457 0.276 1
1 910 . 9 1 1 A 70 70 GLU H H 70 7.091 7.619 -0.528 1
1 911 . 9 1 1 A 70 70 GLU HA H 70 3.848 4.122 -0.274 1
1 916 . 9 1 1 A 70 70 GLU C C 70 178.018 178.193 -0.175 1
1 917 . 9 1 1 A 70 70 GLU CA C 70 58.566 58.307 0.259 1
1 918 . 9 1 1 A 70 70 GLU CB C 70 30.609 30.464 0.145 1
1 920 . 9 1 1 A 70 70 GLU N N 70 115.850 117.727 -1.877 1
1 921 . 9 1 1 A 71 71 TYR H H 71 8.270 8.528 -0.258 1
1 922 . 9 1 1 A 71 71 TYR HA H 71 4.537 4.210 0.327 1
1 929 . 9 1 1 A 71 71 TYR C C 71 177.174 176.218 0.956 1
1 930 . 9 1 1 A 71 71 TYR CA C 71 57.796 60.575 -2.779 1
1 931 . 9 1 1 A 71 71 TYR CB C 71 40.219 38.682 1.537 1
1 936 . 9 1 1 A 71 71 TYR N N 71 114.509 118.114 -3.605 1
1 937 . 9 1 1 A 72 72 GLY H H 72 8.417 7.904 0.513 1
1 938 . 9 1 1 A 72 72 GLY HA2 H 72 3.720 3.180 0.540 1
1 939 . 9 1 1 A 72 72 GLY HA3 H 72 2.255 3.748 -1.493 1
1 940 . 9 1 1 A 72 72 GLY C C 72 172.111 174.374 -2.263 1
1 941 . 9 1 1 A 72 72 GLY CA C 72 43.439 43.900 -0.461 1
1 942 . 9 1 1 A 72 72 GLY N N 72 111.509 106.651 4.858 1
1 943 . 9 1 1 A 73 73 PRO HA H 73 2.587 2.970 -0.383 1
1 950 . 9 1 1 A 73 73 PRO C C 73 175.393 175.180 0.213 1
1 951 . 9 1 1 A 73 73 PRO CA C 73 62.018 63.039 -1.021 1
1 952 . 9 1 1 A 73 73 PRO CB C 73 28.033 31.080 -3.047 1
1 955 . 9 1 1 A 74 74 LYS H H 74 8.065 8.347 -0.282 1
1 956 . 9 1 1 A 74 74 LYS HA H 74 4.259 4.469 -0.210 1
1 965 . 9 1 1 A 74 74 LYS C C 74 177.220 176.403 0.817 1
1 966 . 9 1 1 A 74 74 LYS CA C 74 52.641 54.625 -1.984 1
1 967 . 9 1 1 A 74 74 LYS CB C 74 30.145 30.172 -0.027 1
1 971 . 9 1 1 A 74 74 LYS N N 74 125.996 118.882 7.114 1
1 972 . 9 1 1 A 75 75 TRP H H 75 6.735 6.920 -0.185 1
1 973 . 9 1 1 A 75 75 TRP HA H 75 4.305 4.354 -0.049 1
1 982 . 9 1 1 A 75 75 TRP C C 75 177.174 178.451 -1.277 1
1 983 . 9 1 1 A 75 75 TRP CA C 75 58.969 60.202 -1.233 1
1 984 . 9 1 1 A 75 75 TRP CB C 75 29.668 28.776 0.892 1
1 990 . 9 1 1 A 75 75 TRP N N 75 122.056 121.675 0.381 1
1 992 . 9 1 1 A 76 76 ASN H H 76 8.732 8.749 -0.017 1
1 993 . 9 1 1 A 76 76 ASN HA H 76 4.606 4.428 0.178 1
1 998 . 9 1 1 A 76 76 ASN C C 76 177.830 176.874 0.956 1
1 999 . 9 1 1 A 76 76 ASN CA C 76 55.925 55.823 0.102 1
1 1000 . 9 1 1 A 76 76 ASN CB C 76 37.876 37.356 0.520 1
1 1001 . 9 1 1 A 76 76 ASN N N 76 114.266 117.295 -3.029 1
1 1003 . 9 1 1 A 77 77 LYS H H 77 7.401 8.154 -0.753 1
1 1004 . 9 1 1 A 77 77 LYS HA H 77 3.979 4.044 -0.065 1
1 1013 . 9 1 1 A 77 77 LYS C C 77 178.859 179.290 -0.431 1
1 1014 . 9 1 1 A 77 77 LYS CA C 77 57.800 58.575 -0.775 1
1 1015 . 9 1 1 A 77 77 LYS CB C 77 31.545 32.341 -0.796 1
1 1019 . 9 1 1 A 77 77 LYS N N 77 120.857 117.921 2.936 1
1 1020 . 9 1 1 A 78 78 ILE H H 78 7.754 7.672 0.082 1
1 1021 . 9 1 1 A 78 78 ILE HA H 78 3.679 3.810 -0.131 1
1 1031 . 9 1 1 A 78 78 ILE C C 78 178.202 178.269 -0.067 1
1 1032 . 9 1 1 A 78 78 ILE CA C 78 65.997 64.808 1.189 1
1 1033 . 9 1 1 A 78 78 ILE CB C 78 38.343 37.689 0.654 1
1 1037 . 9 1 1 A 78 78 ILE N N 78 118.290 121.352 -3.062 1
1 1038 . 9 1 1 A 79 79 SER H H 79 8.386 8.761 -0.375 1
1 1039 . 9 1 1 A 79 79 SER HA H 79 4.049 4.128 -0.079 1
1 1042 . 9 1 1 A 79 79 SER C C 79 175.627 176.603 -0.976 1
1 1043 . 9 1 1 A 79 79 SER CA C 79 61.084 61.064 0.020 1
1 1044 . 9 1 1 A 79 79 SER CB C 79 62.720 62.857 -0.137 1
1 1045 . 9 1 1 A 79 79 SER N N 79 114.363 115.653 -1.290 1
1 1046 . 9 1 1 A 80 80 LYS H H 80 7.017 8.489 -1.472 1
1 1047 . 9 1 1 A 80 80 LYS HA H 80 4.005 4.072 -0.067 1
1 1056 . 9 1 1 A 80 80 LYS C C 80 177.361 177.418 -0.057 1
1 1057 . 9 1 1 A 80 80 LYS CA C 80 57.098 58.405 -1.307 1
1 1058 . 9 1 1 A 80 80 LYS CB C 80 31.083 31.611 -0.528 1
1 1062 . 9 1 1 A 80 80 LYS N N 80 118.534 118.656 -0.122 1
1 1063 . 9 1 1 A 81 81 PHE H H 81 7.932 8.283 -0.351 1
1 1064 . 9 1 1 A 81 81 PHE HA H 81 4.467 4.387 0.080 1
1 1071 . 9 1 1 A 81 81 PHE C C 81 174.969 176.913 -1.944 1
1 1072 . 9 1 1 A 81 81 PHE CA C 81 58.500 59.758 -1.258 1
1 1073 . 9 1 1 A 81 81 PHE CB C 81 39.516 38.459 1.057 1
1 1078 . 9 1 1 A 81 81 PHE N N 81 114.880 117.468 -2.588 1
1 1079 . 9 1 1 A 82 82 LEU H H 82 7.487 7.151 0.336 1
1 1080 . 9 1 1 A 82 82 LEU HA H 82 4.666 4.302 0.364 1
1 1090 . 9 1 1 A 82 82 LEU C C 82 175.107 177.460 -2.353 1
1 1091 . 9 1 1 A 82 82 LEU CA C 82 52.875 56.230 -3.355 1
1 1092 . 9 1 1 A 82 82 LEU CB C 82 42.802 42.229 0.573 1
1 1096 . 9 1 1 A 82 82 LEU N N 82 122.945 118.344 4.601 1
1 1097 . 9 1 1 A 83 83 LYS H H 83 8.256 8.191 0.065 1
1 1098 . 9 1 1 A 83 83 LYS HA H 83 4.120 3.981 0.139 1
1 1107 . 9 1 1 A 83 83 LYS C C 83 176.236 176.591 -0.355 1
1 1108 . 9 1 1 A 83 83 LYS CA C 83 56.630 57.693 -1.063 1
1 1109 . 9 1 1 A 83 83 LYS CB C 83 31.786 32.025 -0.239 1
1 1113 . 9 1 1 A 83 83 LYS N N 83 118.856 118.974 -0.118 1
1 1114 . 9 1 1 A 84 84 ASN H H 84 8.684 8.232 0.452 1
1 1115 . 9 1 1 A 84 84 ASN HA H 84 4.304 4.809 -0.505 1
1 1120 . 9 1 1 A 84 84 ASN C C 84 173.846 175.088 -1.242 1
1 1121 . 9 1 1 A 84 84 ASN CA C 84 53.816 53.634 0.182 1
1 1122 . 9 1 1 A 84 84 ASN CB C 84 37.176 40.858 -3.682 1
1 1123 . 9 1 1 A 84 84 ASN N N 84 116.099 116.468 -0.369 1
1 1125 . 9 1 1 A 85 85 ARG H H 85 7.665 7.786 -0.121 1
1 1126 . 9 1 1 A 85 85 ARG HA H 85 4.675 4.762 -0.087 1
1 1132 . 9 1 1 A 85 85 ARG C C 85 175.529 175.171 0.358 1
1 1133 . 9 1 1 A 85 85 ARG CA C 85 53.112 54.311 -1.199 1
1 1134 . 9 1 1 A 85 85 ARG CB C 85 31.783 32.847 -1.064 1
1 1137 . 9 1 1 A 85 85 ARG N N 85 116.162 117.977 -1.815 1
1 1139 . 9 1 1 A 86 86 SER H H 86 8.864 8.314 0.550 1
1 1140 . 9 1 1 A 86 86 SER HA H 86 4.488 5.035 -0.547 1
1 1143 . 9 1 1 A 86 86 SER C C 86 174.407 175.000 -0.593 1
1 1144 . 9 1 1 A 86 86 SER CA C 86 57.093 55.795 1.298 1
1 1145 . 9 1 1 A 86 86 SER CB C 86 64.840 66.496 -1.656 1
1 1146 . 9 1 1 A 86 86 SER N N 86 119.204 111.680 7.524 1
1 1147 . 9 1 1 A 87 87 ASP H H 87 8.784 8.845 -0.061 1
1 1148 . 9 1 1 A 87 87 ASP HA H 87 4.095 4.470 -0.375 1
1 1151 . 9 1 1 A 87 87 ASP C C 87 178.111 178.261 -0.150 1
1 1152 . 9 1 1 A 87 87 ASP CA C 87 57.801 56.671 1.130 1
1 1153 . 9 1 1 A 87 87 ASP CB C 87 39.056 40.042 -0.986 1
1 1154 . 9 1 1 A 87 87 ASP N N 87 121.415 121.765 -0.350 1
1 1155 . 9 1 1 A 88 88 ASN H H 88 8.491 7.738 0.753 1
1 1156 . 9 1 1 A 88 88 ASN HA H 88 4.166 4.357 -0.191 1
1 1161 . 9 1 1 A 88 88 ASN C C 88 176.842 177.115 -0.273 1
1 1162 . 9 1 1 A 88 88 ASN CA C 88 55.458 55.478 -0.020 1
1 1163 . 9 1 1 A 88 88 ASN CB C 88 38.103 38.101 0.002 1
1 1164 . 9 1 1 A 88 88 ASN N N 88 115.811 118.222 -2.411 1
1 1166 . 9 1 1 A 89 89 ASN H H 89 7.959 7.769 0.190 1
1 1167 . 9 1 1 A 89 89 ASN HA H 89 4.422 4.480 -0.058 1
1 1172 . 9 1 1 A 89 89 ASN C C 89 178.159 177.657 0.502 1
1 1173 . 9 1 1 A 89 89 ASN CA C 89 56.632 55.879 0.753 1
1 1174 . 9 1 1 A 89 89 ASN CB C 89 39.749 38.832 0.917 1
1 1175 . 9 1 1 A 89 89 ASN N N 89 120.679 117.817 2.862 1
1 1177 . 9 1 1 A 90 90 ILE H H 90 8.373 8.719 -0.346 1
1 1178 . 9 1 1 A 90 90 ILE HA H 90 3.840 4.001 -0.161 1
1 1188 . 9 1 1 A 90 90 ILE C C 90 176.191 177.682 -1.491 1
1 1189 . 9 1 1 A 90 90 ILE CA C 90 65.298 65.205 0.093 1
1 1190 . 9 1 1 A 90 90 ILE CB C 90 38.109 37.786 0.323 1
1 1194 . 9 1 1 A 90 90 ILE N N 90 120.840 119.782 1.058 1
1 1195 . 9 1 1 A 91 91 ARG H H 91 7.749 7.539 0.210 1
1 1196 . 9 1 1 A 91 91 ARG HA H 91 2.077 3.196 -1.119 1
1 1203 . 9 1 1 A 91 91 ARG C C 91 178.063 177.825 0.238 1
1 1204 . 9 1 1 A 91 91 ARG CA C 91 58.500 58.837 -0.337 1
1 1205 . 9 1 1 A 91 91 ARG CB C 91 28.969 29.747 -0.778 1
1 1208 . 9 1 1 A 91 91 ARG N N 91 120.230 120.197 0.033 1
1 1209 . 9 1 1 A 92 92 ASN H H 92 7.959 7.922 0.037 1
1 1210 . 9 1 1 A 92 92 ASN HA H 92 4.167 4.391 -0.224 1
1 1215 . 9 1 1 A 92 92 ASN C C 92 177.689 177.810 -0.121 1
1 1216 . 9 1 1 A 92 92 ASN CA C 92 55.640 55.983 -0.343 1
1 1217 . 9 1 1 A 92 92 ASN CB C 92 37.644 38.583 -0.939 1
1 1218 . 9 1 1 A 92 92 ASN N N 92 115.405 117.815 -2.410 1
1 1220 . 9 1 1 A 93 93 ARG H H 93 7.872 8.331 -0.459 1
1 1221 . 9 1 1 A 93 93 ARG HA H 93 3.610 3.711 -0.101 1
1 1229 . 9 1 1 A 93 93 ARG C C 93 177.737 178.970 -1.233 1
1 1230 . 9 1 1 A 93 93 ARG CA C 93 57.263 58.789 -1.526 1
1 1231 . 9 1 1 A 93 93 ARG CB C 93 29.141 29.557 -0.416 1
1 1234 . 9 1 1 A 93 93 ARG N N 93 122.360 118.739 3.621 1
1 1236 . 9 1 1 A 94 94 TRP H H 94 8.411 8.701 -0.290 1
1 1237 . 9 1 1 A 94 94 TRP HA H 94 3.818 4.293 -0.475 1
1 1241 . 9 1 1 A 94 94 TRP N N 94 119.510 121.860 -2.350 1
1 1243 . 9 1 1 A 95 95 MET HA H 95 3.725 4.038 -0.313 1
1 1246 . 9 1 1 A 95 95 MET C C 95 178.580 178.379 0.201 1
1 1247 . 9 1 1 A 95 95 MET CA C 95 57.807 58.324 -0.517 1
1 1248 . 9 1 1 A 95 95 MET CB C 95 32.023 32.204 -0.181 1
1 1249 . 9 1 1 A 96 96 MET H H 96 7.580 7.520 0.060 1
1 1250 . 9 1 1 A 96 96 MET HA H 96 3.980 4.260 -0.280 1
1 1255 . 9 1 1 A 96 96 MET C C 96 178.344 178.045 0.299 1
1 1256 . 9 1 1 A 96 96 MET CA C 96 58.033 57.807 0.226 1
1 1257 . 9 1 1 A 96 96 MET CB C 96 31.783 32.314 -0.531 1
1 1259 . 9 1 1 A 96 96 MET N N 96 118.340 118.775 -0.435 1
1 1260 . 9 1 1 A 97 97 ILE H H 97 7.884 8.132 -0.248 1
1 1261 . 9 1 1 A 97 97 ILE HA H 97 3.583 3.648 -0.065 1
1 1271 . 9 1 1 A 97 97 ILE C C 97 178.154 177.772 0.382 1
1 1272 . 9 1 1 A 97 97 ILE CA C 97 63.656 63.760 -0.104 1
1 1273 . 9 1 1 A 97 97 ILE CB C 97 37.637 36.720 0.917 1
1 1277 . 9 1 1 A 97 97 ILE N N 97 120.158 118.357 1.801 1
1 1278 . 9 1 1 A 98 98 ALA H H 98 8.064 8.193 -0.129 1
1 1279 . 9 1 1 A 98 98 ALA HA H 98 3.515 3.701 -0.186 1
1 1283 . 9 1 1 A 98 98 ALA C C 98 180.224 179.747 0.477 1
1 1284 . 9 1 1 A 98 98 ALA CA C 98 54.283 54.247 0.036 1
1 1285 . 9 1 1 A 98 98 ALA CB C 98 17.251 17.772 -0.521 1
1 1286 . 9 1 1 A 98 98 ALA N N 98 123.446 122.622 0.824 1
1 1287 . 9 1 1 A 99 99 ARG H H 99 7.623 7.818 -0.195 1
1 1288 . 9 1 1 A 99 99 ARG HA H 99 3.934 4.000 -0.066 1
1 1295 . 9 1 1 A 99 99 ARG C C 99 177.923 178.514 -0.591 1
1 1296 . 9 1 1 A 99 99 ARG CA C 99 57.968 58.568 -0.600 1
1 1297 . 9 1 1 A 99 99 ARG CB C 99 29.606 29.673 -0.067 1
1 1300 . 9 1 1 A 99 99 ARG N N 99 117.538 119.002 -1.464 1
1 1301 . 9 1 1 A 100 100 HIS H H 100 7.797 7.456 0.341 1
1 1302 . 9 1 1 A 100 100 HIS HA H 100 4.409 4.355 0.054 1
1 1307 . 9 1 1 A 100 100 HIS C C 100 176.575 177.425 -0.850 1
1 1308 . 9 1 1 A 100 100 HIS CA C 100 57.109 59.234 -2.125 1
1 1309 . 9 1 1 A 100 100 HIS CB C 100 29.204 30.393 -1.189 1
1 1312 . 9 1 1 A 100 100 HIS N N 100 118.311 117.198 1.113 1
1 1313 . 9 1 1 A 101 101 ARG H H 101 8.057 7.847 0.210 1
1 1314 . 9 1 1 A 101 101 ARG HA H 101 4.062 4.047 0.015 1
1 1321 . 9 1 1 A 101 101 ARG C C 101 177.220 178.808 -1.588 1
1 1322 . 9 1 1 A 101 101 ARG CA C 101 57.556 59.107 -1.551 1
1 1323 . 9 1 1 A 101 101 ARG CB C 101 30.157 29.546 0.611 1
1 1326 . 9 1 1 A 101 101 ARG N N 101 119.935 120.075 -0.140 1
1 1327 . 9 1 1 A 102 102 ALA H H 102 7.917 8.035 -0.118 1
1 1328 . 9 1 1 A 102 102 ALA HA H 102 4.167 4.201 -0.034 1
1 1332 . 9 1 1 A 102 102 ALA C C 102 178.532 179.096 -0.564 1
1 1333 . 9 1 1 A 102 102 ALA CA C 102 53.103 54.217 -1.114 1
1 1334 . 9 1 1 A 102 102 ALA CB C 102 18.447 18.519 -0.072 1
1 1335 . 9 1 1 A 102 102 ALA N N 102 122.678 122.365 0.313 1
1 1336 . 9 1 1 A 103 103 LYS H H 103 7.884 7.537 0.347 1
1 1337 . 9 1 1 A 103 103 LYS HA H 103 4.121 4.214 -0.093 1
1 1346 . 9 1 1 A 103 103 LYS C C 103 177.080 175.652 1.428 1
1 1347 . 9 1 1 A 103 103 LYS CA C 103 56.856 55.906 0.950 1
1 1348 . 9 1 1 A 103 103 LYS CB C 103 32.480 32.221 0.259 1
1 1352 . 9 1 1 A 103 103 LYS N N 103 118.773 116.128 2.645 1
1 1353 . 9 1 1 A 104 104 HIS H H 104 8.118 8.145 -0.027 1
1 1354 . 9 1 1 A 104 104 HIS HA H 104 4.560 4.153 0.407 1
1 1359 . 9 1 1 A 104 104 HIS C C 104 175.204 175.290 -0.086 1
1 1360 . 9 1 1 A 104 104 HIS CA C 104 55.932 57.096 -1.164 1
1 1361 . 9 1 1 A 104 104 HIS CB C 104 29.448 26.593 2.855 1
1 1364 . 9 1 1 A 104 104 HIS N N 104 118.685 114.364 4.321 1
1 1365 . 9 1 1 A 105 105 GLN H H 105 8.233 8.003 0.230 1
1 1366 . 9 1 1 A 105 105 GLN HA H 105 4.218 3.925 0.293 1
1 1373 . 9 1 1 A 105 105 GLN C C 105 176.172 178.840 -2.668 1
1 1374 . 9 1 1 A 105 105 GLN CA C 105 56.130 58.977 -2.847 1
1 1375 . 9 1 1 A 105 105 GLN CB C 105 28.976 28.315 0.661 1
1 1377 . 9 1 1 A 105 105 GLN N N 105 121.104 118.509 2.595 1
1 1379 . 9 1 1 A 106 106 LYS H H 106 8.346 8.096 0.250 1
1 1380 . 9 1 1 A 106 106 LYS HA H 106 4.239 4.164 0.075 1
1 1389 . 9 1 1 A 106 106 LYS C C 106 177.022 179.264 -2.242 1
1 1390 . 9 1 1 A 106 106 LYS CA C 106 56.647 58.694 -2.047 1
1 1391 . 9 1 1 A 106 106 LYS CB C 106 32.481 32.229 0.252 1
1 1395 . 9 1 1 A 106 106 LYS N N 106 122.274 119.024 3.250 1
1 16 . 10 1 1 A 2 2 VAL H H 2 8.319 8.349 -0.030 1
1 17 . 10 1 1 A 2 2 VAL HA H 2 4.096 4.195 -0.099 1
1 25 . 10 1 1 A 2 2 VAL C C 2 176.167 176.585 -0.418 1
1 26 . 10 1 1 A 2 2 VAL CA C 2 67.781 61.030 6.751 1
1 27 . 10 1 1 A 2 2 VAL CB C 2 32.484 32.882 -0.398 1
1 30 . 10 1 1 A 2 2 VAL N N 2 122.596 124.171 -1.575 1
1 31 . 10 1 1 A 3 3 LYS H H 3 8.470 8.572 -0.102 1
1 32 . 10 1 1 A 3 3 LYS HA H 3 4.327 3.914 0.413 1
1 41 . 10 1 1 A 3 3 LYS C C 3 176.713 177.018 -0.305 1
1 42 . 10 1 1 A 3 3 LYS CA C 3 56.391 59.912 -3.521 1
1 43 . 10 1 1 A 3 3 LYS CB C 3 32.723 32.195 0.528 1
1 47 . 10 1 1 A 3 3 LYS N N 3 127.359 125.358 2.001 1
1 48 . 10 1 1 A 4 4 PHE H H 4 8.471 7.423 1.048 1
1 49 . 10 1 1 A 4 4 PHE HA H 4 4.491 4.591 -0.100 1
1 57 . 10 1 1 A 4 4 PHE C C 4 177.923 175.333 2.590 1
1 58 . 10 1 1 A 4 4 PHE CA C 4 57.566 56.174 1.392 1
1 59 . 10 1 1 A 4 4 PHE CB C 4 39.751 40.100 -0.349 1
1 65 . 10 1 1 A 4 4 PHE N N 4 125.570 116.721 8.849 1
1 66 . 10 1 1 A 5 5 THR H H 5 8.880 8.434 0.446 1
1 67 . 10 1 1 A 5 5 THR HA H 5 4.490 4.630 -0.140 1
1 72 . 10 1 1 A 5 5 THR C C 5 175.297 175.801 -0.504 1
1 73 . 10 1 1 A 5 5 THR CA C 5 60.140 60.592 -0.452 1
1 74 . 10 1 1 A 5 5 THR CB C 5 70.922 70.279 0.643 1
1 76 . 10 1 1 A 5 5 THR N N 5 114.601 115.093 -0.492 1
1 77 . 10 1 1 A 6 6 GLU H H 6 9.000 9.078 -0.078 1
1 78 . 10 1 1 A 6 6 GLU HA H 6 4.142 4.097 0.045 1
1 83 . 10 1 1 A 6 6 GLU C C 6 179.326 178.335 0.991 1
1 84 . 10 1 1 A 6 6 GLU CA C 6 59.675 60.056 -0.381 1
1 85 . 10 1 1 A 6 6 GLU CB C 6 29.203 29.277 -0.074 1
1 87 . 10 1 1 A 6 6 GLU N N 6 121.577 127.170 -5.593 1
1 88 . 10 1 1 A 7 7 GLU H H 7 8.658 8.227 0.431 1
1 89 . 10 1 1 A 7 7 GLU HA H 7 4.026 4.006 0.020 1
1 94 . 10 1 1 A 7 7 GLU C C 7 179.616 179.419 0.197 1
1 95 . 10 1 1 A 7 7 GLU CA C 7 59.683 59.461 0.222 1
1 96 . 10 1 1 A 7 7 GLU CB C 7 28.972 29.319 -0.347 1
1 98 . 10 1 1 A 7 7 GLU N N 7 118.231 120.152 -1.921 1
1 99 . 10 1 1 A 8 8 GLU H H 8 7.930 8.243 -0.313 1
1 100 . 10 1 1 A 8 8 GLU HA H 8 3.955 4.098 -0.143 1
1 105 . 10 1 1 A 8 8 GLU C C 8 178.395 178.526 -0.131 1
1 106 . 10 1 1 A 8 8 GLU CA C 8 59.672 59.347 0.325 1
1 107 . 10 1 1 A 8 8 GLU CB C 8 31.318 29.562 1.756 1
1 109 . 10 1 1 A 8 8 GLU N N 8 121.169 119.802 1.367 1
1 110 . 10 1 1 A 9 9 ASP H H 9 8.507 8.185 0.322 1
1 111 . 10 1 1 A 9 9 ASP HA H 9 4.677 4.352 0.325 1
1 114 . 10 1 1 A 9 9 ASP C C 9 179.329 177.752 1.577 1
1 115 . 10 1 1 A 9 9 ASP CA C 9 57.562 57.038 0.524 1
1 116 . 10 1 1 A 9 9 ASP CB C 9 40.217 41.536 -1.319 1
1 117 . 10 1 1 A 9 9 ASP N N 9 121.164 120.494 0.670 1
1 118 . 10 1 1 A 10 10 LEU H H 10 8.042 7.670 0.372 1
1 119 . 10 1 1 A 10 10 LEU HA H 10 4.143 4.082 0.061 1
1 129 . 10 1 1 A 10 10 LEU C C 10 179.329 179.459 -0.130 1
1 130 . 10 1 1 A 10 10 LEU CA C 10 57.796 57.405 0.391 1
1 131 . 10 1 1 A 10 10 LEU CB C 10 41.392 41.194 0.198 1
1 135 . 10 1 1 A 10 10 LEU N N 10 120.628 119.231 1.397 1
1 136 . 10 1 1 A 11 11 LYS H H 11 8.040 8.201 -0.161 1
1 137 . 10 1 1 A 11 11 LYS HA H 11 4.049 4.036 0.013 1
1 146 . 10 1 1 A 11 11 LYS C C 11 178.345 179.467 -1.122 1
1 147 . 10 1 1 A 11 11 LYS CA C 11 59.199 58.888 0.311 1
1 148 . 10 1 1 A 11 11 LYS CB C 11 32.488 31.874 0.614 1
1 152 . 10 1 1 A 11 11 LYS N N 11 121.016 118.997 2.019 1
1 153 . 10 1 1 A 12 12 LEU H H 12 8.865 8.050 0.815 1
1 154 . 10 1 1 A 12 12 LEU HA H 12 4.258 4.046 0.212 1
1 164 . 10 1 1 A 12 12 LEU C C 12 178.298 178.849 -0.551 1
1 165 . 10 1 1 A 12 12 LEU CA C 12 58.500 57.980 0.520 1
1 166 . 10 1 1 A 12 12 LEU CB C 12 41.389 41.456 -0.067 1
1 169 . 10 1 1 A 12 12 LEU N N 12 120.138 121.013 -0.875 1
1 170 . 10 1 1 A 13 13 GLN H H 13 8.400 7.811 0.589 1
1 171 . 10 1 1 A 13 13 GLN HA H 13 4.097 4.131 -0.034 1
1 178 . 10 1 1 A 13 13 GLN C C 13 178.254 178.066 0.188 1
1 179 . 10 1 1 A 13 13 GLN CA C 13 59.693 59.503 0.190 1
1 180 . 10 1 1 A 13 13 GLN CB C 13 28.733 28.268 0.465 1
1 182 . 10 1 1 A 13 13 GLN N N 13 117.136 118.447 -1.311 1
1 184 . 10 1 1 A 14 14 GLN H H 14 8.175 7.393 0.782 1
1 185 . 10 1 1 A 14 14 GLN HA H 14 3.980 4.229 -0.249 1
1 192 . 10 1 1 A 14 14 GLN C C 14 179.518 178.614 0.904 1
1 193 . 10 1 1 A 14 14 GLN CA C 14 58.745 58.338 0.407 1
1 194 . 10 1 1 A 14 14 GLN CB C 14 28.034 28.960 -0.926 1
1 196 . 10 1 1 A 14 14 GLN N N 14 117.947 118.488 -0.541 1
1 198 . 10 1 1 A 15 15 LEU H H 15 8.721 8.476 0.245 1
1 199 . 10 1 1 A 15 15 LEU HA H 15 4.143 3.969 0.174 1
1 209 . 10 1 1 A 15 15 LEU C C 15 178.956 179.156 -0.200 1
1 210 . 10 1 1 A 15 15 LEU CA C 15 57.562 58.102 -0.540 1
1 211 . 10 1 1 A 15 15 LEU CB C 15 42.801 41.996 0.805 1
1 215 . 10 1 1 A 15 15 LEU N N 15 120.641 120.576 0.065 1
1 216 . 10 1 1 A 16 16 VAL H H 16 8.603 8.207 0.396 1
1 217 . 10 1 1 A 16 16 VAL HA H 16 3.230 3.481 -0.251 1
1 225 . 10 1 1 A 16 16 VAL C C 16 179.988 177.833 2.155 1
1 226 . 10 1 1 A 16 16 VAL CA C 16 65.733 66.868 -1.135 1
1 227 . 10 1 1 A 16 16 VAL CB C 16 30.609 31.448 -0.839 1
1 230 . 10 1 1 A 16 16 VAL N N 16 120.873 117.753 3.120 1
1 231 . 10 1 1 A 17 17 MET H H 17 8.058 7.958 0.100 1
1 232 . 10 1 1 A 17 17 MET HA H 17 4.050 4.142 -0.092 1
1 237 . 10 1 1 A 17 17 MET C C 17 177.501 178.187 -0.686 1
1 238 . 10 1 1 A 17 17 MET CA C 17 58.270 58.529 -0.259 1
1 239 . 10 1 1 A 17 17 MET CB C 17 31.784 31.501 0.283 1
1 241 . 10 1 1 A 17 17 MET N N 17 119.240 120.012 -0.772 1
1 242 . 10 1 1 A 18 18 ARG H H 18 7.406 8.226 -0.820 1
1 243 . 10 1 1 A 18 18 ARG HA H 18 3.957 3.883 0.074 1
1 250 . 10 1 1 A 18 18 ARG C C 18 177.691 176.943 0.748 1
1 251 . 10 1 1 A 18 18 ARG CA C 18 58.301 58.298 0.003 1
1 252 . 10 1 1 A 18 18 ARG CB C 18 30.842 29.351 1.491 1
1 255 . 10 1 1 A 18 18 ARG N N 18 117.487 119.848 -2.361 1
1 256 . 10 1 1 A 19 19 TYR H H 19 8.571 7.284 1.287 1
1 257 . 10 1 1 A 19 19 TYR HA H 19 4.490 4.483 0.007 1
1 264 . 10 1 1 A 19 19 TYR C C 19 176.706 176.005 0.701 1
1 265 . 10 1 1 A 19 19 TYR CA C 19 58.739 57.669 1.070 1
1 266 . 10 1 1 A 19 19 TYR CB C 19 39.044 38.713 0.331 1
1 271 . 10 1 1 A 19 19 TYR N N 19 115.284 115.281 0.003 1
1 272 . 10 1 1 A 20 20 GLY H H 20 8.148 9.511 -1.363 1
1 273 . 10 1 1 A 20 20 GLY HA2 H 20 3.609 3.856 -0.247 1
1 274 . 10 1 1 A 20 20 GLY HA3 H 20 4.137 3.879 0.258 1
1 275 . 10 1 1 A 20 20 GLY C C 20 171.784 173.833 -2.049 1
1 276 . 10 1 1 A 20 20 GLY CA C 20 43.972 46.582 -2.610 1
1 277 . 10 1 1 A 20 20 GLY N N 20 110.830 107.944 2.886 1
1 278 . 10 1 1 A 21 21 ALA H H 21 7.886 7.247 0.639 1
1 279 . 10 1 1 A 21 21 ALA HA H 21 3.400 3.864 -0.464 1
1 283 . 10 1 1 A 21 21 ALA C C 21 176.002 177.059 -1.057 1
1 284 . 10 1 1 A 21 21 ALA CA C 21 49.825 51.118 -1.293 1
1 285 . 10 1 1 A 21 21 ALA CB C 21 17.960 18.836 -0.876 1
1 286 . 10 1 1 A 21 21 ALA N N 21 119.337 123.174 -3.837 1
1 287 . 10 1 1 A 22 22 LYS H H 22 7.424 7.627 -0.203 1
1 288 . 10 1 1 A 22 22 LYS HA H 22 4.258 4.630 -0.372 1
1 297 . 10 1 1 A 22 22 LYS C C 22 175.769 176.165 -0.396 1
1 298 . 10 1 1 A 22 22 LYS CA C 22 55.921 56.207 -0.286 1
1 299 . 10 1 1 A 22 22 LYS CB C 22 33.371 34.265 -0.894 1
1 303 . 10 1 1 A 22 22 LYS N N 22 115.793 113.470 2.323 1
1 304 . 10 1 1 A 23 23 ASP H H 23 7.724 7.384 0.340 1
1 305 . 10 1 1 A 23 23 ASP HA H 23 4.700 4.968 -0.268 1
1 308 . 10 1 1 A 23 23 ASP C C 23 176.142 176.307 -0.165 1
1 309 . 10 1 1 A 23 23 ASP CA C 23 51.704 53.056 -1.352 1
1 310 . 10 1 1 A 23 23 ASP CB C 23 39.514 40.889 -1.375 1
1 311 . 10 1 1 A 23 23 ASP N N 23 119.398 119.140 0.258 1
1 312 . 10 1 1 A 24 24 TRP H H 24 8.035 7.821 0.214 1
1 313 . 10 1 1 A 24 24 TRP HA H 24 4.258 4.297 -0.039 1
1 322 . 10 1 1 A 24 24 TRP C C 24 178.252 178.268 -0.016 1
1 323 . 10 1 1 A 24 24 TRP CA C 24 58.736 59.766 -1.030 1
1 324 . 10 1 1 A 24 24 TRP CB C 24 28.970 28.592 0.378 1
1 330 . 10 1 1 A 24 24 TRP N N 24 123.130 120.353 2.777 1
1 332 . 10 1 1 A 25 25 ILE H H 25 8.092 7.782 0.310 1
1 333 . 10 1 1 A 25 25 ILE HA H 25 3.724 3.829 -0.105 1
1 343 . 10 1 1 A 25 25 ILE C C 25 177.806 177.708 0.098 1
1 344 . 10 1 1 A 25 25 ILE CA C 25 65.060 64.718 0.342 1
1 345 . 10 1 1 A 25 25 ILE CB C 25 36.234 37.340 -1.106 1
1 349 . 10 1 1 A 25 25 ILE N N 25 121.518 115.626 5.892 1
1 350 . 10 1 1 A 26 26 ARG H H 26 7.503 7.766 -0.263 1
1 351 . 10 1 1 A 26 26 ARG HA H 26 3.864 4.007 -0.143 1
1 358 . 10 1 1 A 26 26 ARG C C 26 178.303 178.554 -0.251 1
1 359 . 10 1 1 A 26 26 ARG CA C 26 58.267 58.700 -0.433 1
1 360 . 10 1 1 A 26 26 ARG CB C 26 29.680 29.803 -0.123 1
1 363 . 10 1 1 A 26 26 ARG N N 26 122.119 121.000 1.119 1
1 364 . 10 1 1 A 27 27 ILE H H 27 7.340 7.684 -0.344 1
1 365 . 10 1 1 A 27 27 ILE HA H 27 3.450 3.481 -0.031 1
1 375 . 10 1 1 A 27 27 ILE C C 27 177.689 178.476 -0.787 1
1 376 . 10 1 1 A 27 27 ILE CA C 27 63.893 65.099 -1.206 1
1 377 . 10 1 1 A 27 27 ILE CB C 27 36.474 37.159 -0.685 1
1 381 . 10 1 1 A 27 27 ILE N N 27 115.446 119.947 -4.501 1
1 382 . 10 1 1 A 28 28 SER H H 28 8.203 8.139 0.064 1
1 383 . 10 1 1 A 28 28 SER HA H 28 4.144 4.292 -0.148 1
1 386 . 10 1 1 A 28 28 SER C C 28 177.220 177.293 -0.073 1
1 387 . 10 1 1 A 28 28 SER CA C 28 61.085 61.454 -0.369 1
1 388 . 10 1 1 A 28 28 SER CB C 28 63.421 63.134 0.287 1
1 389 . 10 1 1 A 28 28 SER N N 28 113.324 117.202 -3.878 1
1 390 . 10 1 1 A 29 29 GLN H H 29 8.177 7.333 0.844 1
1 391 . 10 1 1 A 29 29 GLN HA H 29 4.003 4.064 -0.061 1
1 398 . 10 1 1 A 29 29 GLN C C 29 178.910 179.209 -0.299 1
1 399 . 10 1 1 A 29 29 GLN CA C 29 58.503 58.861 -0.358 1
1 400 . 10 1 1 A 29 29 GLN CB C 29 27.796 28.307 -0.511 1
1 402 . 10 1 1 A 29 29 GLN N N 29 120.561 121.644 -1.083 1
1 404 . 10 1 1 A 30 30 LEU H H 30 7.494 7.426 0.068 1
1 405 . 10 1 1 A 30 30 LEU HA H 30 4.258 4.094 0.164 1
1 415 . 10 1 1 A 30 30 LEU C C 30 178.956 177.239 1.717 1
1 416 . 10 1 1 A 30 30 LEU CA C 30 55.675 57.422 -1.747 1
1 417 . 10 1 1 A 30 30 LEU CB C 30 42.559 42.047 0.512 1
1 421 . 10 1 1 A 30 30 LEU N N 30 118.106 119.859 -1.753 1
1 422 . 10 1 1 A 31 31 MET H H 31 8.399 7.166 1.233 1
1 423 . 10 1 1 A 31 31 MET HA H 31 4.329 4.909 -0.580 1
1 428 . 10 1 1 A 31 31 MET C C 31 179.515 175.847 3.668 1
1 429 . 10 1 1 A 31 31 MET CA C 31 55.921 54.341 1.580 1
1 430 . 10 1 1 A 31 31 MET CB C 31 31.310 32.647 -1.337 1
1 432 . 10 1 1 A 31 31 MET N N 31 120.008 115.869 4.139 1
1 433 . 10 1 1 A 32 32 ILE H H 32 8.177 8.057 0.120 1
1 434 . 10 1 1 A 32 32 ILE HA H 32 3.423 4.047 -0.624 1
1 444 . 10 1 1 A 32 32 ILE C C 32 179.473 177.233 2.240 1
1 445 . 10 1 1 A 32 32 ILE CA C 32 67.639 63.445 4.194 1
1 446 . 10 1 1 A 32 32 ILE CB C 32 35.767 37.650 -1.883 1
1 450 . 10 1 1 A 32 32 ILE N N 32 114.338 119.232 -4.894 1
1 451 . 10 1 1 A 33 33 THR H H 33 8.957 7.547 1.410 1
1 452 . 10 1 1 A 33 33 THR HA H 33 4.143 4.220 -0.077 1
1 457 . 10 1 1 A 33 33 THR C C 33 174.361 174.403 -0.042 1
1 458 . 10 1 1 A 33 33 THR CA C 33 62.251 64.158 -1.907 1
1 459 . 10 1 1 A 33 33 THR CB C 33 68.581 68.802 -0.221 1
1 461 . 10 1 1 A 33 33 THR N N 33 110.164 112.374 -2.210 1
1 462 . 10 1 1 A 34 34 ARG H H 34 6.509 8.300 -1.791 1
1 463 . 10 1 1 A 34 34 ARG HA H 34 4.862 4.886 -0.024 1
1 470 . 10 1 1 A 34 34 ARG C C 34 174.922 175.058 -0.136 1
1 471 . 10 1 1 A 34 34 ARG CA C 34 51.939 54.127 -2.188 1
1 472 . 10 1 1 A 34 34 ARG CB C 34 36.061 33.609 2.452 1
1 475 . 10 1 1 A 34 34 ARG N N 34 116.058 120.650 -4.592 1
1 476 . 10 1 1 A 35 35 ASN H H 35 8.733 9.068 -0.335 1
1 477 . 10 1 1 A 35 35 ASN HA H 35 4.810 5.106 -0.296 1
1 482 . 10 1 1 A 35 35 ASN C C 35 173.986 175.544 -1.558 1
1 483 . 10 1 1 A 35 35 ASN CA C 35 52.107 51.500 0.607 1
1 484 . 10 1 1 A 35 35 ASN CB C 35 36.636 38.278 -1.642 1
1 485 . 10 1 1 A 35 35 ASN N N 35 122.840 121.085 1.755 1
1 487 . 10 1 1 A 36 36 PRO HA H 36 4.197 4.521 -0.324 1
1 494 . 10 1 1 A 36 36 PRO C C 36 178.019 178.683 -0.664 1
1 495 . 10 1 1 A 36 36 PRO CA C 36 67.412 65.715 1.697 1
1 496 . 10 1 1 A 36 36 PRO CB C 36 32.018 31.909 0.109 1
1 499 . 10 1 1 A 37 37 ARG H H 37 7.804 8.435 -0.631 1
1 500 . 10 1 1 A 37 37 ARG HA H 37 3.749 3.912 -0.163 1
1 507 . 10 1 1 A 37 37 ARG C C 37 178.300 178.876 -0.576 1
1 508 . 10 1 1 A 37 37 ARG CA C 37 59.202 58.836 0.366 1
1 509 . 10 1 1 A 37 37 ARG CB C 37 29.435 29.434 0.001 1
1 512 . 10 1 1 A 37 37 ARG N N 37 117.759 117.624 0.135 1
1 513 . 10 1 1 A 38 38 GLN H H 38 8.682 8.537 0.145 1
1 514 . 10 1 1 A 38 38 GLN HA H 38 4.043 4.101 -0.058 1
1 521 . 10 1 1 A 38 38 GLN C C 38 180.078 178.065 2.013 1
1 522 . 10 1 1 A 38 38 GLN CA C 38 58.506 59.009 -0.503 1
1 523 . 10 1 1 A 38 38 GLN CB C 38 29.431 28.812 0.619 1
1 525 . 10 1 1 A 38 38 GLN N N 38 117.504 119.515 -2.011 1
1 527 . 10 1 1 A 39 39 CYS H H 39 8.095 7.724 0.371 1
1 528 . 10 1 1 A 39 39 CYS HA H 39 4.059 4.432 -0.373 1
1 531 . 10 1 1 A 39 39 CYS C C 39 173.893 176.870 -2.977 1
1 532 . 10 1 1 A 39 39 CYS CA C 39 64.592 61.850 2.742 1
1 533 . 10 1 1 A 39 39 CYS CB C 39 27.328 28.059 -0.731 1
1 534 . 10 1 1 A 39 39 CYS N N 39 116.291 118.390 -2.099 1
1 535 . 10 1 1 A 40 40 ARG H H 40 7.589 7.676 -0.087 1
1 536 . 10 1 1 A 40 40 ARG HA H 40 1.821 2.072 -0.251 1
1 543 . 10 1 1 A 40 40 ARG C C 40 178.204 178.013 0.191 1
1 544 . 10 1 1 A 40 40 ARG CA C 40 58.264 58.563 -0.299 1
1 545 . 10 1 1 A 40 40 ARG CB C 40 29.440 28.835 0.605 1
1 548 . 10 1 1 A 40 40 ARG N N 40 121.272 121.974 -0.702 1
1 549 . 10 1 1 A 41 41 GLU H H 41 8.352 8.140 0.212 1
1 550 . 10 1 1 A 41 41 GLU HA H 41 3.817 4.057 -0.240 1
1 555 . 10 1 1 A 41 41 GLU C C 41 178.718 178.515 0.203 1
1 556 . 10 1 1 A 41 41 GLU CA C 41 58.971 59.087 -0.116 1
1 557 . 10 1 1 A 41 41 GLU CB C 41 28.972 28.850 0.122 1
1 559 . 10 1 1 A 41 41 GLU N N 41 117.034 116.887 0.147 1
1 560 . 10 1 1 A 42 42 ARG H H 42 7.755 7.890 -0.135 1
1 561 . 10 1 1 A 42 42 ARG HA H 42 3.931 4.202 -0.271 1
1 568 . 10 1 1 A 42 42 ARG C C 42 179.333 178.211 1.122 1
1 569 . 10 1 1 A 42 42 ARG CA C 42 57.261 59.232 -1.971 1
1 570 . 10 1 1 A 42 42 ARG CB C 42 29.610 30.118 -0.508 1
1 573 . 10 1 1 A 42 42 ARG N N 42 119.603 119.846 -0.243 1
1 574 . 10 1 1 A 43 43 TRP H H 43 8.199 8.169 0.030 1
1 575 . 10 1 1 A 43 43 TRP HA H 43 4.292 4.355 -0.063 1
1 579 . 10 1 1 A 43 43 TRP C C 43 176.705 178.404 -1.699 1
1 580 . 10 1 1 A 43 43 TRP CA C 43 57.006 61.310 -4.304 1
1 581 . 10 1 1 A 43 43 TRP CB C 43 29.620 29.730 -0.110 1
1 582 . 10 1 1 A 43 43 TRP N N 43 119.355 121.941 -2.586 1
1 584 . 10 1 1 A 44 44 ASN H H 44 8.478 8.519 -0.041 1
1 585 . 10 1 1 A 44 44 ASN HA H 44 4.177 4.517 -0.340 1
1 590 . 10 1 1 A 44 44 ASN C C 44 176.986 176.986 0.000 1
1 591 . 10 1 1 A 44 44 ASN CA C 44 55.457 56.161 -0.704 1
1 592 . 10 1 1 A 44 44 ASN CB C 44 38.347 37.536 0.811 1
1 593 . 10 1 1 A 44 44 ASN N N 44 113.530 117.203 -3.673 1
1 595 . 10 1 1 A 45 45 ASN H H 45 8.060 8.342 -0.282 1
1 596 . 10 1 1 A 45 45 ASN HA H 45 4.630 4.794 -0.164 1
1 601 . 10 1 1 A 45 45 ASN C C 45 175.347 174.959 0.388 1
1 602 . 10 1 1 A 45 45 ASN CA C 45 53.350 53.620 -0.270 1
1 603 . 10 1 1 A 45 45 ASN CB C 45 39.047 39.344 -0.297 1
1 604 . 10 1 1 A 45 45 ASN N N 45 112.540 116.065 -3.525 1
1 606 . 10 1 1 A 46 46 TYR H H 46 7.443 8.005 -0.562 1
1 607 . 10 1 1 A 46 46 TYR HA H 46 4.447 4.867 -0.420 1
1 614 . 10 1 1 A 46 46 TYR C C 46 175.439 175.012 0.427 1
1 615 . 10 1 1 A 46 46 TYR CA C 46 60.074 59.189 0.885 1
1 616 . 10 1 1 A 46 46 TYR CB C 46 40.383 40.633 -0.250 1
1 621 . 10 1 1 A 46 46 TYR N N 46 117.403 118.975 -1.572 1
1 622 . 10 1 1 A 47 47 ILE HA H 47 3.786 4.564 -0.778 1
1 632 . 10 1 1 A 47 47 ILE C C 47 175.440 173.807 1.633 1
1 633 . 10 1 1 A 47 47 ILE CA C 47 62.240 59.134 3.106 1
1 634 . 10 1 1 A 47 47 ILE CB C 47 38.670 40.857 -2.187 1
1 638 . 10 1 1 A 48 48 ASN H H 48 7.922 8.637 -0.715 1
1 639 . 10 1 1 A 48 48 ASN HA H 48 3.795 4.570 -0.775 1
1 642 . 10 1 1 A 48 48 ASN C C 48 174.640 175.536 -0.896 1
1 643 . 10 1 1 A 48 48 ASN N N 48 119.990 120.377 -0.387 1
1 645 . 10 1 1 A 49 49 PRO HA H 49 4.166 4.465 -0.299 1
1 652 . 10 1 1 A 49 49 PRO C C 49 177.408 176.501 0.907 1
1 653 . 10 1 1 A 49 49 PRO CA C 49 64.124 63.640 0.484 1
1 654 . 10 1 1 A 49 49 PRO CB C 49 31.313 32.734 -1.421 1
1 657 . 10 1 1 A 50 50 ALA H H 50 7.595 7.945 -0.350 1
1 658 . 10 1 1 A 50 50 ALA HA H 50 4.128 3.953 0.175 1
1 662 . 10 1 1 A 50 50 ALA C C 50 178.251 177.623 0.628 1
1 663 . 10 1 1 A 50 50 ALA CA C 50 52.642 52.969 -0.327 1
1 664 . 10 1 1 A 50 50 ALA CB C 50 18.422 17.253 1.169 1
1 665 . 10 1 1 A 50 50 ALA N N 50 120.036 120.391 -0.355 1
1 666 . 10 1 1 A 51 51 LEU H H 51 7.586 7.906 -0.320 1
1 667 . 10 1 1 A 51 51 LEU HA H 51 4.119 4.485 -0.366 1
1 677 . 10 1 1 A 51 51 LEU C C 51 177.686 177.503 0.183 1
1 678 . 10 1 1 A 51 51 LEU CA C 51 55.219 54.640 0.579 1
1 679 . 10 1 1 A 51 51 LEU CB C 51 41.883 41.545 0.338 1
1 683 . 10 1 1 A 51 51 LEU N N 51 118.197 116.332 1.865 1
1 684 . 10 1 1 A 52 52 ARG H H 52 8.013 7.866 0.147 1
1 685 . 10 1 1 A 52 52 ARG HA H 52 4.334 4.140 0.194 1
1 692 . 10 1 1 A 52 52 ARG C C 52 176.658 176.147 0.511 1
1 693 . 10 1 1 A 52 52 ARG CA C 52 55.923 58.491 -2.568 1
1 694 . 10 1 1 A 52 52 ARG CB C 52 31.086 30.223 0.863 1
1 697 . 10 1 1 A 52 52 ARG N N 52 119.899 120.609 -0.710 1
1 698 . 10 1 1 A 53 53 THR H H 53 8.187 7.523 0.664 1
1 699 . 10 1 1 A 53 53 THR HA H 53 4.345 4.536 -0.191 1
1 704 . 10 1 1 A 53 53 THR C C 53 173.892 172.451 1.441 1
1 705 . 10 1 1 A 53 53 THR CA C 53 60.611 60.864 -0.253 1
1 706 . 10 1 1 A 53 53 THR CB C 53 69.514 69.049 0.465 1
1 708 . 10 1 1 A 53 53 THR N N 53 113.907 112.348 1.559 1
1 709 . 10 1 1 A 54 54 ASP H H 54 8.430 9.007 -0.577 1
1 710 . 10 1 1 A 54 54 ASP HA H 54 4.810 5.217 -0.407 1
1 713 . 10 1 1 A 54 54 ASP C C 54 174.082 173.737 0.345 1
1 714 . 10 1 1 A 54 54 ASP CA C 54 52.578 51.474 1.104 1
1 715 . 10 1 1 A 54 54 ASP CB C 54 39.685 41.354 -1.669 1
1 716 . 10 1 1 A 54 54 ASP N N 54 123.174 126.682 -3.508 1
1 717 . 10 1 1 A 55 55 PRO HA H 55 4.561 4.341 0.220 1
1 724 . 10 1 1 A 55 55 PRO C C 55 177.127 176.617 0.510 1
1 725 . 10 1 1 A 55 55 PRO CA C 55 62.958 62.639 0.319 1
1 726 . 10 1 1 A 55 55 PRO CB C 55 32.013 32.052 -0.039 1
1 729 . 10 1 1 A 56 56 TRP H H 56 8.721 7.553 1.168 1
1 730 . 10 1 1 A 56 56 TRP HA H 56 4.351 4.951 -0.600 1
1 739 . 10 1 1 A 56 56 TRP C C 56 177.127 175.023 2.104 1
1 740 . 10 1 1 A 56 56 TRP CA C 56 57.796 56.256 1.540 1
1 741 . 10 1 1 A 56 56 TRP CB C 56 28.732 31.113 -2.381 1
1 747 . 10 1 1 A 56 56 TRP N N 56 124.713 120.391 4.322 1
1 749 . 10 1 1 A 57 57 SER H H 57 9.085 8.878 0.207 1
1 750 . 10 1 1 A 57 57 SER HA H 57 4.957 4.791 0.166 1
1 753 . 10 1 1 A 57 57 SER C C 57 173.562 174.551 -0.989 1
1 754 . 10 1 1 A 57 57 SER CA C 57 55.852 55.988 -0.136 1
1 755 . 10 1 1 A 57 57 SER CB C 57 63.824 66.070 -2.246 1
1 756 . 10 1 1 A 57 57 SER N N 57 122.041 112.748 9.293 1
1 757 . 10 1 1 A 58 58 PRO HA H 58 4.444 4.315 0.129 1
1 764 . 10 1 1 A 58 58 PRO C C 58 179.777 178.731 1.046 1
1 765 . 10 1 1 A 58 58 PRO CA C 58 65.071 65.145 -0.074 1
1 766 . 10 1 1 A 58 58 PRO CB C 58 31.546 31.926 -0.380 1
1 769 . 10 1 1 A 59 59 GLU H H 59 8.788 8.333 0.455 1
1 770 . 10 1 1 A 59 59 GLU HA H 59 4.088 4.101 -0.013 1
1 775 . 10 1 1 A 59 59 GLU C C 59 179.656 178.987 0.669 1
1 776 . 10 1 1 A 59 59 GLU CA C 59 60.373 59.876 0.497 1
1 777 . 10 1 1 A 59 59 GLU CB C 59 28.505 29.133 -0.628 1
1 779 . 10 1 1 A 59 59 GLU N N 59 117.546 117.204 0.342 1
1 780 . 10 1 1 A 60 60 GLU H H 60 7.977 8.207 -0.230 1
1 781 . 10 1 1 A 60 60 GLU HA H 60 4.015 4.047 -0.032 1
1 786 . 10 1 1 A 60 60 GLU C C 60 178.440 178.789 -0.349 1
1 787 . 10 1 1 A 60 60 GLU CA C 60 59.913 58.995 0.918 1
1 788 . 10 1 1 A 60 60 GLU CB C 60 31.541 29.157 2.384 1
1 790 . 10 1 1 A 60 60 GLU N N 60 122.264 119.808 2.456 1
1 791 . 10 1 1 A 61 61 ASP H H 61 8.267 8.239 0.028 1
1 792 . 10 1 1 A 61 61 ASP HA H 61 4.654 4.534 0.120 1
1 795 . 10 1 1 A 61 61 ASP C C 61 179.469 178.664 0.805 1
1 796 . 10 1 1 A 61 61 ASP CA C 61 57.562 57.781 -0.219 1
1 797 . 10 1 1 A 61 61 ASP CB C 61 39.987 41.925 -1.938 1
1 798 . 10 1 1 A 61 61 ASP N N 61 120.543 120.195 0.348 1
1 799 . 10 1 1 A 62 62 MET H H 62 8.139 8.349 -0.210 1
1 800 . 10 1 1 A 62 62 MET HA H 62 4.284 4.240 0.044 1
1 805 . 10 1 1 A 62 62 MET C C 62 178.811 178.961 -0.150 1
1 806 . 10 1 1 A 62 62 MET CA C 62 58.505 58.922 -0.417 1
1 807 . 10 1 1 A 62 62 MET CB C 62 32.251 32.907 -0.656 1
1 809 . 10 1 1 A 62 62 MET N N 62 119.343 117.996 1.347 1
1 810 . 10 1 1 A 63 63 LEU H H 63 7.959 7.726 0.233 1
1 811 . 10 1 1 A 63 63 LEU HA H 63 4.212 4.056 0.156 1
1 821 . 10 1 1 A 63 63 LEU C C 63 177.642 179.162 -1.520 1
1 822 . 10 1 1 A 63 63 LEU CA C 63 57.562 57.319 0.243 1
1 823 . 10 1 1 A 63 63 LEU CB C 63 42.096 41.511 0.585 1
1 827 . 10 1 1 A 63 63 LEU N N 63 122.676 120.456 2.220 1
1 828 . 10 1 1 A 64 64 LEU H H 64 8.784 8.284 0.500 1
1 829 . 10 1 1 A 64 64 LEU HA H 64 4.119 4.053 0.066 1
1 839 . 10 1 1 A 64 64 LEU C C 64 177.515 178.009 -0.494 1
1 840 . 10 1 1 A 64 64 LEU CA C 64 58.738 57.735 1.003 1
1 841 . 10 1 1 A 64 64 LEU CB C 64 41.395 41.823 -0.428 1
1 845 . 10 1 1 A 64 64 LEU N N 64 120.877 118.986 1.891 1
1 846 . 10 1 1 A 65 65 ASP H H 65 8.085 8.601 -0.516 1
1 847 . 10 1 1 A 65 65 ASP HA H 65 4.630 4.461 0.169 1
1 850 . 10 1 1 A 65 65 ASP C C 65 179.391 178.298 1.093 1
1 851 . 10 1 1 A 65 65 ASP CA C 65 57.566 57.447 0.119 1
1 852 . 10 1 1 A 65 65 ASP CB C 65 41.626 42.059 -0.433 1
1 853 . 10 1 1 A 65 65 ASP N N 65 118.583 119.243 -0.660 1
1 854 . 10 1 1 A 66 66 GLN H H 66 8.336 7.913 0.423 1
1 855 . 10 1 1 A 66 66 GLN HA H 66 4.050 4.172 -0.122 1
1 862 . 10 1 1 A 66 66 GLN C C 66 179.565 178.517 1.048 1
1 863 . 10 1 1 A 66 66 GLN CA C 66 58.739 58.461 0.278 1
1 864 . 10 1 1 A 66 66 GLN CB C 66 28.502 28.572 -0.070 1
1 866 . 10 1 1 A 66 66 GLN N N 66 118.725 117.970 0.755 1
1 868 . 10 1 1 A 67 67 LYS H H 67 9.126 7.478 1.648 1
1 869 . 10 1 1 A 67 67 LYS HA H 67 4.142 4.125 0.017 1
1 878 . 10 1 1 A 67 67 LYS C C 67 178.671 178.764 -0.093 1
1 879 . 10 1 1 A 67 67 LYS CA C 67 56.156 58.919 -2.763 1
1 880 . 10 1 1 A 67 67 LYS CB C 67 31.550 32.621 -1.071 1
1 884 . 10 1 1 A 67 67 LYS N N 67 117.220 120.221 -3.001 1
1 885 . 10 1 1 A 68 68 TYR H H 68 9.361 8.674 0.687 1
1 886 . 10 1 1 A 68 68 TYR HA H 68 3.819 4.028 -0.209 1
1 893 . 10 1 1 A 68 68 TYR C C 68 179.235 177.351 1.884 1
1 894 . 10 1 1 A 68 68 TYR CA C 68 61.547 61.776 -0.229 1
1 895 . 10 1 1 A 68 68 TYR CB C 68 37.881 38.516 -0.635 1
1 900 . 10 1 1 A 68 68 TYR N N 68 123.884 120.895 2.989 1
1 901 . 10 1 1 A 69 69 ALA H H 69 7.810 7.959 -0.149 1
1 902 . 10 1 1 A 69 69 ALA HA H 69 3.980 4.009 -0.029 1
1 906 . 10 1 1 A 69 69 ALA C C 69 178.673 179.227 -0.554 1
1 907 . 10 1 1 A 69 69 ALA CA C 69 54.755 55.176 -0.421 1
1 908 . 10 1 1 A 69 69 ALA CB C 69 17.253 18.589 -1.336 1
1 909 . 10 1 1 A 69 69 ALA N N 69 121.733 121.614 0.119 1
1 910 . 10 1 1 A 70 70 GLU H H 70 7.091 7.890 -0.799 1
1 911 . 10 1 1 A 70 70 GLU HA H 70 3.848 4.120 -0.272 1
1 916 . 10 1 1 A 70 70 GLU C C 70 178.018 178.086 -0.068 1
1 917 . 10 1 1 A 70 70 GLU CA C 70 58.566 58.371 0.195 1
1 918 . 10 1 1 A 70 70 GLU CB C 70 30.609 30.371 0.238 1
1 920 . 10 1 1 A 70 70 GLU N N 70 115.850 117.369 -1.519 1
1 921 . 10 1 1 A 71 71 TYR H H 71 8.270 8.529 -0.259 1
1 922 . 10 1 1 A 71 71 TYR HA H 71 4.537 4.195 0.342 1
1 929 . 10 1 1 A 71 71 TYR C C 71 177.174 176.239 0.935 1
1 930 . 10 1 1 A 71 71 TYR CA C 71 57.796 60.339 -2.543 1
1 931 . 10 1 1 A 71 71 TYR CB C 71 40.219 38.639 1.580 1
1 936 . 10 1 1 A 71 71 TYR N N 71 114.509 117.969 -3.460 1
1 937 . 10 1 1 A 72 72 GLY H H 72 8.417 7.871 0.546 1
1 938 . 10 1 1 A 72 72 GLY HA2 H 72 3.720 2.861 0.859 1
1 939 . 10 1 1 A 72 72 GLY HA3 H 72 2.255 3.644 -1.389 1
1 940 . 10 1 1 A 72 72 GLY C C 72 172.111 173.558 -1.447 1
1 941 . 10 1 1 A 72 72 GLY CA C 72 43.439 43.705 -0.266 1
1 942 . 10 1 1 A 72 72 GLY N N 72 111.509 106.502 5.007 1
1 943 . 10 1 1 A 73 73 PRO HA H 73 2.587 3.033 -0.446 1
1 950 . 10 1 1 A 73 73 PRO C C 73 175.393 174.985 0.408 1
1 951 . 10 1 1 A 73 73 PRO CA C 73 62.018 62.795 -0.777 1
1 952 . 10 1 1 A 73 73 PRO CB C 73 28.033 31.659 -3.626 1
1 955 . 10 1 1 A 74 74 LYS H H 74 8.065 7.651 0.414 1
1 956 . 10 1 1 A 74 74 LYS HA H 74 4.259 4.271 -0.012 1
1 965 . 10 1 1 A 74 74 LYS C C 74 177.220 176.276 0.944 1
1 966 . 10 1 1 A 74 74 LYS CA C 74 52.641 54.611 -1.970 1
1 967 . 10 1 1 A 74 74 LYS CB C 74 30.145 30.177 -0.032 1
1 971 . 10 1 1 A 74 74 LYS N N 74 125.996 119.439 6.557 1
1 972 . 10 1 1 A 75 75 TRP H H 75 6.735 6.863 -0.128 1
1 973 . 10 1 1 A 75 75 TRP HA H 75 4.305 4.391 -0.086 1
1 982 . 10 1 1 A 75 75 TRP C C 75 177.174 178.338 -1.164 1
1 983 . 10 1 1 A 75 75 TRP CA C 75 58.969 60.081 -1.112 1
1 984 . 10 1 1 A 75 75 TRP CB C 75 29.668 28.443 1.225 1
1 990 . 10 1 1 A 75 75 TRP N N 75 122.056 121.686 0.370 1
1 992 . 10 1 1 A 76 76 ASN H H 76 8.732 8.336 0.396 1
1 993 . 10 1 1 A 76 76 ASN HA H 76 4.606 4.459 0.147 1
1 998 . 10 1 1 A 76 76 ASN C C 76 177.830 176.879 0.951 1
1 999 . 10 1 1 A 76 76 ASN CA C 76 55.925 56.346 -0.421 1
1 1000 . 10 1 1 A 76 76 ASN CB C 76 37.876 38.578 -0.702 1
1 1001 . 10 1 1 A 76 76 ASN N N 76 114.266 119.841 -5.575 1
1 1003 . 10 1 1 A 77 77 LYS H H 77 7.401 7.944 -0.543 1
1 1004 . 10 1 1 A 77 77 LYS HA H 77 3.979 3.993 -0.014 1
1 1013 . 10 1 1 A 77 77 LYS C C 77 178.859 179.122 -0.263 1
1 1014 . 10 1 1 A 77 77 LYS CA C 77 57.800 58.443 -0.643 1
1 1015 . 10 1 1 A 77 77 LYS CB C 77 31.545 32.441 -0.896 1
1 1019 . 10 1 1 A 77 77 LYS N N 77 120.857 118.478 2.379 1
1 1020 . 10 1 1 A 78 78 ILE H H 78 7.754 7.635 0.119 1
1 1021 . 10 1 1 A 78 78 ILE HA H 78 3.679 3.644 0.035 1
1 1031 . 10 1 1 A 78 78 ILE C C 78 178.202 177.893 0.309 1
1 1032 . 10 1 1 A 78 78 ILE CA C 78 65.997 65.345 0.652 1
1 1033 . 10 1 1 A 78 78 ILE CB C 78 38.343 38.098 0.245 1
1 1037 . 10 1 1 A 78 78 ILE N N 78 118.290 121.214 -2.924 1
1 1038 . 10 1 1 A 79 79 SER H H 79 8.386 8.512 -0.126 1
1 1039 . 10 1 1 A 79 79 SER HA H 79 4.049 4.241 -0.192 1
1 1042 . 10 1 1 A 79 79 SER C C 79 175.627 176.526 -0.899 1
1 1043 . 10 1 1 A 79 79 SER CA C 79 61.084 61.493 -0.409 1
1 1044 . 10 1 1 A 79 79 SER CB C 79 62.720 62.593 0.127 1
1 1045 . 10 1 1 A 79 79 SER N N 79 114.363 115.007 -0.644 1
1 1046 . 10 1 1 A 80 80 LYS H H 80 7.017 7.963 -0.946 1
1 1047 . 10 1 1 A 80 80 LYS HA H 80 4.005 4.109 -0.104 1
1 1056 . 10 1 1 A 80 80 LYS C C 80 177.361 177.322 0.039 1
1 1057 . 10 1 1 A 80 80 LYS CA C 80 57.098 57.997 -0.899 1
1 1058 . 10 1 1 A 80 80 LYS CB C 80 31.083 32.287 -1.204 1
1 1062 . 10 1 1 A 80 80 LYS N N 80 118.534 121.273 -2.739 1
1 1063 . 10 1 1 A 81 81 PHE H H 81 7.932 8.324 -0.392 1
1 1064 . 10 1 1 A 81 81 PHE HA H 81 4.467 4.312 0.155 1
1 1071 . 10 1 1 A 81 81 PHE C C 81 174.969 177.342 -2.373 1
1 1072 . 10 1 1 A 81 81 PHE CA C 81 58.500 60.392 -1.892 1
1 1073 . 10 1 1 A 81 81 PHE CB C 81 39.516 39.252 0.264 1
1 1078 . 10 1 1 A 81 81 PHE N N 81 114.880 117.475 -2.595 1
1 1079 . 10 1 1 A 82 82 LEU H H 82 7.487 7.234 0.253 1
1 1080 . 10 1 1 A 82 82 LEU HA H 82 4.666 4.282 0.384 1
1 1090 . 10 1 1 A 82 82 LEU C C 82 175.107 176.539 -1.432 1
1 1091 . 10 1 1 A 82 82 LEU CA C 82 52.875 56.662 -3.787 1
1 1092 . 10 1 1 A 82 82 LEU CB C 82 42.802 42.113 0.689 1
1 1096 . 10 1 1 A 82 82 LEU N N 82 122.945 118.898 4.047 1
1 1097 . 10 1 1 A 83 83 LYS H H 83 8.256 7.949 0.307 1
1 1098 . 10 1 1 A 83 83 LYS HA H 83 4.120 4.071 0.049 1
1 1107 . 10 1 1 A 83 83 LYS C C 83 176.236 176.315 -0.079 1
1 1108 . 10 1 1 A 83 83 LYS CA C 83 56.630 57.701 -1.071 1
1 1109 . 10 1 1 A 83 83 LYS CB C 83 31.786 29.487 2.299 1
1 1113 . 10 1 1 A 83 83 LYS N N 83 118.856 116.140 2.716 1
1 1114 . 10 1 1 A 84 84 ASN H H 84 8.684 8.287 0.397 1
1 1115 . 10 1 1 A 84 84 ASN HA H 84 4.304 4.898 -0.594 1
1 1120 . 10 1 1 A 84 84 ASN C C 84 173.846 174.750 -0.904 1
1 1121 . 10 1 1 A 84 84 ASN CA C 84 53.816 53.283 0.533 1
1 1122 . 10 1 1 A 84 84 ASN CB C 84 37.176 40.423 -3.247 1
1 1123 . 10 1 1 A 84 84 ASN N N 84 116.099 115.036 1.063 1
1 1125 . 10 1 1 A 85 85 ARG H H 85 7.665 7.741 -0.076 1
1 1126 . 10 1 1 A 85 85 ARG HA H 85 4.675 4.889 -0.214 1
1 1132 . 10 1 1 A 85 85 ARG C C 85 175.529 174.765 0.764 1
1 1133 . 10 1 1 A 85 85 ARG CA C 85 53.112 54.198 -1.086 1
1 1134 . 10 1 1 A 85 85 ARG CB C 85 31.783 33.568 -1.785 1
1 1137 . 10 1 1 A 85 85 ARG N N 85 116.162 118.191 -2.029 1
1 1139 . 10 1 1 A 86 86 SER H H 86 8.864 8.252 0.612 1
1 1140 . 10 1 1 A 86 86 SER HA H 86 4.488 5.008 -0.520 1
1 1143 . 10 1 1 A 86 86 SER C C 86 174.407 174.866 -0.459 1
1 1144 . 10 1 1 A 86 86 SER CA C 86 57.093 55.830 1.263 1
1 1145 . 10 1 1 A 86 86 SER CB C 86 64.840 66.488 -1.648 1
1 1146 . 10 1 1 A 86 86 SER N N 86 119.204 111.949 7.255 1
1 1147 . 10 1 1 A 87 87 ASP H H 87 8.784 8.658 0.126 1
1 1148 . 10 1 1 A 87 87 ASP HA H 87 4.095 4.392 -0.297 1
1 1151 . 10 1 1 A 87 87 ASP C C 87 178.111 178.456 -0.345 1
1 1152 . 10 1 1 A 87 87 ASP CA C 87 57.801 56.895 0.906 1
1 1153 . 10 1 1 A 87 87 ASP CB C 87 39.056 39.704 -0.648 1
1 1154 . 10 1 1 A 87 87 ASP N N 87 121.415 120.931 0.484 1
1 1155 . 10 1 1 A 88 88 ASN H H 88 8.491 8.140 0.351 1
1 1156 . 10 1 1 A 88 88 ASN HA H 88 4.166 4.381 -0.215 1
1 1161 . 10 1 1 A 88 88 ASN C C 88 176.842 177.408 -0.566 1
1 1162 . 10 1 1 A 88 88 ASN CA C 88 55.458 56.170 -0.712 1
1 1163 . 10 1 1 A 88 88 ASN CB C 88 38.103 38.777 -0.674 1
1 1164 . 10 1 1 A 88 88 ASN N N 88 115.811 118.596 -2.785 1
1 1166 . 10 1 1 A 89 89 ASN H H 89 7.959 7.767 0.192 1
1 1167 . 10 1 1 A 89 89 ASN HA H 89 4.422 4.461 -0.039 1
1 1172 . 10 1 1 A 89 89 ASN C C 89 178.159 177.961 0.198 1
1 1173 . 10 1 1 A 89 89 ASN CA C 89 56.632 55.731 0.901 1
1 1174 . 10 1 1 A 89 89 ASN CB C 89 39.749 38.692 1.057 1
1 1175 . 10 1 1 A 89 89 ASN N N 89 120.679 117.901 2.778 1
1 1177 . 10 1 1 A 90 90 ILE H H 90 8.373 8.355 0.018 1
1 1178 . 10 1 1 A 90 90 ILE HA H 90 3.840 3.963 -0.123 1
1 1188 . 10 1 1 A 90 90 ILE C C 90 176.191 177.669 -1.478 1
1 1189 . 10 1 1 A 90 90 ILE CA C 90 65.298 65.099 0.199 1
1 1190 . 10 1 1 A 90 90 ILE CB C 90 38.109 37.464 0.645 1
1 1194 . 10 1 1 A 90 90 ILE N N 90 120.840 119.309 1.531 1
1 1195 . 10 1 1 A 91 91 ARG H H 91 7.749 8.421 -0.672 1
1 1196 . 10 1 1 A 91 91 ARG HA H 91 2.077 3.110 -1.033 1
1 1203 . 10 1 1 A 91 91 ARG C C 91 178.063 178.152 -0.089 1
1 1204 . 10 1 1 A 91 91 ARG CA C 91 58.500 58.852 -0.352 1
1 1205 . 10 1 1 A 91 91 ARG CB C 91 28.969 29.814 -0.845 1
1 1208 . 10 1 1 A 91 91 ARG N N 91 120.230 120.224 0.006 1
1 1209 . 10 1 1 A 92 92 ASN H H 92 7.959 7.922 0.037 1
1 1210 . 10 1 1 A 92 92 ASN HA H 92 4.167 4.422 -0.255 1
1 1215 . 10 1 1 A 92 92 ASN C C 92 177.689 177.441 0.248 1
1 1216 . 10 1 1 A 92 92 ASN CA C 92 55.640 56.093 -0.453 1
1 1217 . 10 1 1 A 92 92 ASN CB C 92 37.644 38.752 -1.108 1
1 1218 . 10 1 1 A 92 92 ASN N N 92 115.405 117.826 -2.421 1
1 1220 . 10 1 1 A 93 93 ARG H H 93 7.872 8.553 -0.681 1
1 1221 . 10 1 1 A 93 93 ARG HA H 93 3.610 3.809 -0.199 1
1 1229 . 10 1 1 A 93 93 ARG C C 93 177.737 178.868 -1.131 1
1 1230 . 10 1 1 A 93 93 ARG CA C 93 57.263 58.930 -1.667 1
1 1231 . 10 1 1 A 93 93 ARG CB C 93 29.141 29.505 -0.364 1
1 1234 . 10 1 1 A 93 93 ARG N N 93 122.360 119.971 2.389 1
1 1236 . 10 1 1 A 94 94 TRP H H 94 8.411 8.914 -0.503 1
1 1237 . 10 1 1 A 94 94 TRP HA H 94 3.818 4.380 -0.562 1
1 1241 . 10 1 1 A 94 94 TRP N N 94 119.510 122.043 -2.533 1
1 1243 . 10 1 1 A 95 95 MET HA H 95 3.725 4.123 -0.398 1
1 1246 . 10 1 1 A 95 95 MET C C 95 178.580 178.420 0.160 1
1 1247 . 10 1 1 A 95 95 MET CA C 95 57.807 58.361 -0.554 1
1 1248 . 10 1 1 A 95 95 MET CB C 95 32.023 32.238 -0.215 1
1 1249 . 10 1 1 A 96 96 MET H H 96 7.580 7.558 0.022 1
1 1250 . 10 1 1 A 96 96 MET HA H 96 3.980 4.229 -0.249 1
1 1255 . 10 1 1 A 96 96 MET C C 96 178.344 178.050 0.294 1
1 1256 . 10 1 1 A 96 96 MET CA C 96 58.033 57.780 0.253 1
1 1257 . 10 1 1 A 96 96 MET CB C 96 31.783 32.208 -0.425 1
1 1259 . 10 1 1 A 96 96 MET N N 96 118.340 119.033 -0.693 1
1 1260 . 10 1 1 A 97 97 ILE H H 97 7.884 7.953 -0.069 1
1 1261 . 10 1 1 A 97 97 ILE HA H 97 3.583 3.788 -0.205 1
1 1271 . 10 1 1 A 97 97 ILE C C 97 178.154 177.619 0.535 1
1 1272 . 10 1 1 A 97 97 ILE CA C 97 63.656 63.797 -0.141 1
1 1273 . 10 1 1 A 97 97 ILE CB C 97 37.637 36.746 0.891 1
1 1277 . 10 1 1 A 97 97 ILE N N 97 120.158 118.571 1.587 1
1 1278 . 10 1 1 A 98 98 ALA H H 98 8.064 8.272 -0.208 1
1 1279 . 10 1 1 A 98 98 ALA HA H 98 3.515 3.762 -0.247 1
1 1283 . 10 1 1 A 98 98 ALA C C 98 180.224 179.782 0.442 1
1 1284 . 10 1 1 A 98 98 ALA CA C 98 54.283 54.315 -0.032 1
1 1285 . 10 1 1 A 98 98 ALA CB C 98 17.251 17.926 -0.675 1
1 1286 . 10 1 1 A 98 98 ALA N N 98 123.446 122.824 0.622 1
1 1287 . 10 1 1 A 99 99 ARG H H 99 7.623 7.859 -0.236 1
1 1288 . 10 1 1 A 99 99 ARG HA H 99 3.934 4.027 -0.093 1
1 1295 . 10 1 1 A 99 99 ARG C C 99 177.923 178.483 -0.560 1
1 1296 . 10 1 1 A 99 99 ARG CA C 99 57.968 58.508 -0.540 1
1 1297 . 10 1 1 A 99 99 ARG CB C 99 29.606 29.787 -0.181 1
1 1300 . 10 1 1 A 99 99 ARG N N 99 117.538 118.997 -1.459 1
1 1301 . 10 1 1 A 100 100 HIS H H 100 7.797 7.825 -0.028 1
1 1302 . 10 1 1 A 100 100 HIS HA H 100 4.409 4.240 0.169 1
1 1307 . 10 1 1 A 100 100 HIS C C 100 176.575 176.994 -0.419 1
1 1308 . 10 1 1 A 100 100 HIS CA C 100 57.109 58.984 -1.875 1
1 1309 . 10 1 1 A 100 100 HIS CB C 100 29.204 29.947 -0.743 1
1 1312 . 10 1 1 A 100 100 HIS N N 100 118.311 119.260 -0.949 1
1 1313 . 10 1 1 A 101 101 ARG H H 101 8.057 7.530 0.527 1
1 1314 . 10 1 1 A 101 101 ARG HA H 101 4.062 4.233 -0.171 1
1 1321 . 10 1 1 A 101 101 ARG C C 101 177.220 178.765 -1.545 1
1 1322 . 10 1 1 A 101 101 ARG CA C 101 57.556 58.187 -0.631 1
1 1323 . 10 1 1 A 101 101 ARG CB C 101 30.157 30.272 -0.115 1
1 1326 . 10 1 1 A 101 101 ARG N N 101 119.935 118.272 1.663 1
1 1327 . 10 1 1 A 102 102 ALA H H 102 7.917 7.730 0.187 1
1 1328 . 10 1 1 A 102 102 ALA HA H 102 4.167 4.198 -0.031 1
1 1332 . 10 1 1 A 102 102 ALA C C 102 178.532 179.360 -0.828 1
1 1333 . 10 1 1 A 102 102 ALA CA C 102 53.103 54.345 -1.242 1
1 1334 . 10 1 1 A 102 102 ALA CB C 102 18.447 18.297 0.150 1
1 1335 . 10 1 1 A 102 102 ALA N N 102 122.678 121.906 0.772 1
1 1336 . 10 1 1 A 103 103 LYS H H 103 7.884 7.552 0.332 1
1 1337 . 10 1 1 A 103 103 LYS HA H 103 4.121 4.237 -0.116 1
1 1346 . 10 1 1 A 103 103 LYS C C 103 177.080 175.770 1.310 1
1 1347 . 10 1 1 A 103 103 LYS CA C 103 56.856 55.877 0.979 1
1 1348 . 10 1 1 A 103 103 LYS CB C 103 32.480 32.257 0.223 1
1 1352 . 10 1 1 A 103 103 LYS N N 103 118.773 115.804 2.969 1
1 1353 . 10 1 1 A 104 104 HIS H H 104 8.118 8.155 -0.037 1
1 1354 . 10 1 1 A 104 104 HIS HA H 104 4.560 4.171 0.389 1
1 1359 . 10 1 1 A 104 104 HIS C C 104 175.204 175.414 -0.210 1
1 1360 . 10 1 1 A 104 104 HIS CA C 104 55.932 57.104 -1.172 1
1 1361 . 10 1 1 A 104 104 HIS CB C 104 29.448 26.611 2.837 1
1 1364 . 10 1 1 A 104 104 HIS N N 104 118.685 114.384 4.301 1
1 1365 . 10 1 1 A 105 105 GLN H H 105 8.233 7.923 0.310 1
1 1366 . 10 1 1 A 105 105 GLN HA H 105 4.218 3.920 0.298 1
1 1373 . 10 1 1 A 105 105 GLN C C 105 176.172 177.930 -1.758 1
1 1374 . 10 1 1 A 105 105 GLN CA C 105 56.130 59.328 -3.198 1
1 1375 . 10 1 1 A 105 105 GLN CB C 105 28.976 28.526 0.450 1
1 1377 . 10 1 1 A 105 105 GLN N N 105 121.104 118.932 2.172 1
1 1379 . 10 1 1 A 106 106 LYS H H 106 8.346 8.147 0.199 1
1 1380 . 10 1 1 A 106 106 LYS HA H 106 4.239 4.144 0.095 1
1 1389 . 10 1 1 A 106 106 LYS C C 106 177.022 177.962 -0.940 1
1 1390 . 10 1 1 A 106 106 LYS CA C 106 56.647 59.116 -2.469 1
1 1391 . 10 1 1 A 106 106 LYS CB C 106 32.481 32.293 0.188 1
1 1395 . 10 1 1 A 106 106 LYS N N 106 122.274 118.536 3.738 1
1 16 . 11 1 1 A 2 2 VAL H H 2 8.319 8.138 0.181 1
1 17 . 11 1 1 A 2 2 VAL HA H 2 4.096 4.316 -0.220 1
1 25 . 11 1 1 A 2 2 VAL C C 2 176.167 175.901 0.266 1
1 26 . 11 1 1 A 2 2 VAL CA C 2 67.781 59.843 7.938 1
1 27 . 11 1 1 A 2 2 VAL CB C 2 32.484 35.258 -2.774 1
1 30 . 11 1 1 A 2 2 VAL N N 2 122.596 118.354 4.242 1
1 31 . 11 1 1 A 3 3 LYS H H 3 8.470 8.716 -0.246 1
1 32 . 11 1 1 A 3 3 LYS HA H 3 4.327 3.896 0.431 1
1 41 . 11 1 1 A 3 3 LYS C C 3 176.713 177.009 -0.296 1
1 42 . 11 1 1 A 3 3 LYS CA C 3 56.391 59.966 -3.575 1
1 43 . 11 1 1 A 3 3 LYS CB C 3 32.723 32.257 0.466 1
1 47 . 11 1 1 A 3 3 LYS N N 3 127.359 123.941 3.418 1
1 48 . 11 1 1 A 4 4 PHE H H 4 8.471 7.324 1.147 1
1 49 . 11 1 1 A 4 4 PHE HA H 4 4.491 4.604 -0.113 1
1 57 . 11 1 1 A 4 4 PHE C C 4 177.923 175.334 2.589 1
1 58 . 11 1 1 A 4 4 PHE CA C 4 57.566 56.235 1.331 1
1 59 . 11 1 1 A 4 4 PHE CB C 4 39.751 39.943 -0.192 1
1 65 . 11 1 1 A 4 4 PHE N N 4 125.570 117.242 8.328 1
1 66 . 11 1 1 A 5 5 THR H H 5 8.880 8.436 0.444 1
1 67 . 11 1 1 A 5 5 THR HA H 5 4.490 4.641 -0.151 1
1 72 . 11 1 1 A 5 5 THR C C 5 175.297 175.818 -0.521 1
1 73 . 11 1 1 A 5 5 THR CA C 5 60.140 60.613 -0.473 1
1 74 . 11 1 1 A 5 5 THR CB C 5 70.922 70.272 0.650 1
1 76 . 11 1 1 A 5 5 THR N N 5 114.601 115.109 -0.508 1
1 77 . 11 1 1 A 6 6 GLU H H 6 9.000 9.131 -0.131 1
1 78 . 11 1 1 A 6 6 GLU HA H 6 4.142 4.116 0.026 1
1 83 . 11 1 1 A 6 6 GLU C C 6 179.326 178.392 0.934 1
1 84 . 11 1 1 A 6 6 GLU CA C 6 59.675 60.068 -0.393 1
1 85 . 11 1 1 A 6 6 GLU CB C 6 29.203 29.229 -0.026 1
1 87 . 11 1 1 A 6 6 GLU N N 6 121.577 127.395 -5.818 1
1 88 . 11 1 1 A 7 7 GLU H H 7 8.658 8.271 0.387 1
1 89 . 11 1 1 A 7 7 GLU HA H 7 4.026 4.013 0.013 1
1 94 . 11 1 1 A 7 7 GLU C C 7 179.616 179.302 0.314 1
1 95 . 11 1 1 A 7 7 GLU CA C 7 59.683 59.470 0.213 1
1 96 . 11 1 1 A 7 7 GLU CB C 7 28.972 29.292 -0.320 1
1 98 . 11 1 1 A 7 7 GLU N N 7 118.231 120.148 -1.917 1
1 99 . 11 1 1 A 8 8 GLU H H 8 7.930 8.130 -0.200 1
1 100 . 11 1 1 A 8 8 GLU HA H 8 3.955 4.083 -0.128 1
1 105 . 11 1 1 A 8 8 GLU C C 8 178.395 178.252 0.143 1
1 106 . 11 1 1 A 8 8 GLU CA C 8 59.672 59.484 0.188 1
1 107 . 11 1 1 A 8 8 GLU CB C 8 31.318 29.514 1.804 1
1 109 . 11 1 1 A 8 8 GLU N N 8 121.169 119.783 1.386 1
1 110 . 11 1 1 A 9 9 ASP H H 9 8.507 8.143 0.364 1
1 111 . 11 1 1 A 9 9 ASP HA H 9 4.677 4.309 0.368 1
1 114 . 11 1 1 A 9 9 ASP C C 9 179.329 178.001 1.328 1
1 115 . 11 1 1 A 9 9 ASP CA C 9 57.562 57.069 0.493 1
1 116 . 11 1 1 A 9 9 ASP CB C 9 40.217 41.440 -1.223 1
1 117 . 11 1 1 A 9 9 ASP N N 9 121.164 120.112 1.052 1
1 118 . 11 1 1 A 10 10 LEU H H 10 8.042 7.721 0.321 1
1 119 . 11 1 1 A 10 10 LEU HA H 10 4.143 4.064 0.079 1
1 129 . 11 1 1 A 10 10 LEU C C 10 179.329 179.124 0.205 1
1 130 . 11 1 1 A 10 10 LEU CA C 10 57.796 57.388 0.408 1
1 131 . 11 1 1 A 10 10 LEU CB C 10 41.392 41.178 0.214 1
1 135 . 11 1 1 A 10 10 LEU N N 10 120.628 119.643 0.985 1
1 136 . 11 1 1 A 11 11 LYS H H 11 8.040 8.375 -0.335 1
1 137 . 11 1 1 A 11 11 LYS HA H 11 4.049 4.013 0.036 1
1 146 . 11 1 1 A 11 11 LYS C C 11 178.345 179.067 -0.722 1
1 147 . 11 1 1 A 11 11 LYS CA C 11 59.199 59.064 0.135 1
1 148 . 11 1 1 A 11 11 LYS CB C 11 32.488 31.708 0.780 1
1 152 . 11 1 1 A 11 11 LYS N N 11 121.016 118.919 2.097 1
1 153 . 11 1 1 A 12 12 LEU H H 12 8.865 8.104 0.761 1
1 154 . 11 1 1 A 12 12 LEU HA H 12 4.258 4.096 0.162 1
1 164 . 11 1 1 A 12 12 LEU C C 12 178.298 179.102 -0.804 1
1 165 . 11 1 1 A 12 12 LEU CA C 12 58.500 57.962 0.538 1
1 166 . 11 1 1 A 12 12 LEU CB C 12 41.389 41.155 0.234 1
1 169 . 11 1 1 A 12 12 LEU N N 12 120.138 120.639 -0.501 1
1 170 . 11 1 1 A 13 13 GLN H H 13 8.400 7.721 0.679 1
1 171 . 11 1 1 A 13 13 GLN HA H 13 4.097 4.118 -0.021 1
1 178 . 11 1 1 A 13 13 GLN C C 13 178.254 178.021 0.233 1
1 179 . 11 1 1 A 13 13 GLN CA C 13 59.693 59.437 0.256 1
1 180 . 11 1 1 A 13 13 GLN CB C 13 28.733 28.333 0.400 1
1 182 . 11 1 1 A 13 13 GLN N N 13 117.136 118.430 -1.294 1
1 184 . 11 1 1 A 14 14 GLN H H 14 8.175 7.413 0.762 1
1 185 . 11 1 1 A 14 14 GLN HA H 14 3.980 4.196 -0.216 1
1 192 . 11 1 1 A 14 14 GLN C C 14 179.518 178.619 0.899 1
1 193 . 11 1 1 A 14 14 GLN CA C 14 58.745 58.210 0.535 1
1 194 . 11 1 1 A 14 14 GLN CB C 14 28.034 28.939 -0.905 1
1 196 . 11 1 1 A 14 14 GLN N N 14 117.947 118.202 -0.255 1
1 198 . 11 1 1 A 15 15 LEU H H 15 8.721 8.474 0.247 1
1 199 . 11 1 1 A 15 15 LEU HA H 15 4.143 3.932 0.211 1
1 209 . 11 1 1 A 15 15 LEU C C 15 178.956 179.086 -0.130 1
1 210 . 11 1 1 A 15 15 LEU CA C 15 57.562 58.057 -0.495 1
1 211 . 11 1 1 A 15 15 LEU CB C 15 42.801 42.374 0.427 1
1 215 . 11 1 1 A 15 15 LEU N N 15 120.641 120.184 0.457 1
1 216 . 11 1 1 A 16 16 VAL H H 16 8.603 8.396 0.207 1
1 217 . 11 1 1 A 16 16 VAL HA H 16 3.230 3.358 -0.128 1
1 225 . 11 1 1 A 16 16 VAL C C 16 179.988 178.125 1.863 1
1 226 . 11 1 1 A 16 16 VAL CA C 16 65.733 66.843 -1.110 1
1 227 . 11 1 1 A 16 16 VAL CB C 16 30.609 31.324 -0.715 1
1 230 . 11 1 1 A 16 16 VAL N N 16 120.873 117.429 3.444 1
1 231 . 11 1 1 A 17 17 MET H H 17 8.058 8.241 -0.183 1
1 232 . 11 1 1 A 17 17 MET HA H 17 4.050 4.240 -0.190 1
1 237 . 11 1 1 A 17 17 MET C C 17 177.501 178.338 -0.837 1
1 238 . 11 1 1 A 17 17 MET CA C 17 58.270 58.121 0.149 1
1 239 . 11 1 1 A 17 17 MET CB C 17 31.784 32.227 -0.443 1
1 241 . 11 1 1 A 17 17 MET N N 17 119.240 120.120 -0.880 1
1 242 . 11 1 1 A 18 18 ARG H H 18 7.406 8.183 -0.777 1
1 243 . 11 1 1 A 18 18 ARG HA H 18 3.957 3.890 0.067 1
1 250 . 11 1 1 A 18 18 ARG C C 18 177.691 177.001 0.690 1
1 251 . 11 1 1 A 18 18 ARG CA C 18 58.301 58.495 -0.194 1
1 252 . 11 1 1 A 18 18 ARG CB C 18 30.842 29.623 1.219 1
1 255 . 11 1 1 A 18 18 ARG N N 18 117.487 120.552 -3.065 1
1 256 . 11 1 1 A 19 19 TYR H H 19 8.571 7.153 1.418 1
1 257 . 11 1 1 A 19 19 TYR HA H 19 4.490 4.505 -0.015 1
1 264 . 11 1 1 A 19 19 TYR C C 19 176.706 176.078 0.628 1
1 265 . 11 1 1 A 19 19 TYR CA C 19 58.739 57.710 1.029 1
1 266 . 11 1 1 A 19 19 TYR CB C 19 39.044 38.735 0.309 1
1 271 . 11 1 1 A 19 19 TYR N N 19 115.284 115.440 -0.156 1
1 272 . 11 1 1 A 20 20 GLY H H 20 8.148 9.393 -1.245 1
1 273 . 11 1 1 A 20 20 GLY HA2 H 20 3.609 3.890 -0.281 1
1 274 . 11 1 1 A 20 20 GLY HA3 H 20 4.137 3.912 0.225 1
1 275 . 11 1 1 A 20 20 GLY C C 20 171.784 173.757 -1.973 1
1 276 . 11 1 1 A 20 20 GLY CA C 20 43.972 46.406 -2.434 1
1 277 . 11 1 1 A 20 20 GLY N N 20 110.830 107.853 2.977 1
1 278 . 11 1 1 A 21 21 ALA H H 21 7.886 7.220 0.666 1
1 279 . 11 1 1 A 21 21 ALA HA H 21 3.400 3.888 -0.488 1
1 283 . 11 1 1 A 21 21 ALA C C 21 176.002 176.965 -0.963 1
1 284 . 11 1 1 A 21 21 ALA CA C 21 49.825 51.131 -1.306 1
1 285 . 11 1 1 A 21 21 ALA CB C 21 17.960 18.287 -0.327 1
1 286 . 11 1 1 A 21 21 ALA N N 21 119.337 123.124 -3.787 1
1 287 . 11 1 1 A 22 22 LYS H H 22 7.424 7.683 -0.259 1
1 288 . 11 1 1 A 22 22 LYS HA H 22 4.258 4.638 -0.380 1
1 297 . 11 1 1 A 22 22 LYS C C 22 175.769 176.099 -0.330 1
1 298 . 11 1 1 A 22 22 LYS CA C 22 55.921 56.410 -0.489 1
1 299 . 11 1 1 A 22 22 LYS CB C 22 33.371 34.449 -1.078 1
1 303 . 11 1 1 A 22 22 LYS N N 22 115.793 114.120 1.673 1
1 304 . 11 1 1 A 23 23 ASP H H 23 7.724 7.485 0.239 1
1 305 . 11 1 1 A 23 23 ASP HA H 23 4.700 4.946 -0.246 1
1 308 . 11 1 1 A 23 23 ASP C C 23 176.142 176.274 -0.132 1
1 309 . 11 1 1 A 23 23 ASP CA C 23 51.704 53.013 -1.309 1
1 310 . 11 1 1 A 23 23 ASP CB C 23 39.514 40.867 -1.353 1
1 311 . 11 1 1 A 23 23 ASP N N 23 119.398 118.884 0.514 1
1 312 . 11 1 1 A 24 24 TRP H H 24 8.035 7.808 0.227 1
1 313 . 11 1 1 A 24 24 TRP HA H 24 4.258 4.292 -0.034 1
1 322 . 11 1 1 A 24 24 TRP C C 24 178.252 178.266 -0.014 1
1 323 . 11 1 1 A 24 24 TRP CA C 24 58.736 59.860 -1.124 1
1 324 . 11 1 1 A 24 24 TRP CB C 24 28.970 28.595 0.375 1
1 330 . 11 1 1 A 24 24 TRP N N 24 123.130 120.338 2.792 1
1 332 . 11 1 1 A 25 25 ILE H H 25 8.092 7.821 0.271 1
1 333 . 11 1 1 A 25 25 ILE HA H 25 3.724 3.822 -0.098 1
1 343 . 11 1 1 A 25 25 ILE C C 25 177.806 178.099 -0.293 1
1 344 . 11 1 1 A 25 25 ILE CA C 25 65.060 64.746 0.314 1
1 345 . 11 1 1 A 25 25 ILE CB C 25 36.234 37.328 -1.094 1
1 349 . 11 1 1 A 25 25 ILE N N 25 121.518 115.574 5.944 1
1 350 . 11 1 1 A 26 26 ARG H H 26 7.503 8.072 -0.569 1
1 351 . 11 1 1 A 26 26 ARG HA H 26 3.864 3.945 -0.081 1
1 358 . 11 1 1 A 26 26 ARG C C 26 178.303 178.205 0.098 1
1 359 . 11 1 1 A 26 26 ARG CA C 26 58.267 59.458 -1.191 1
1 360 . 11 1 1 A 26 26 ARG CB C 26 29.680 30.448 -0.768 1
1 363 . 11 1 1 A 26 26 ARG N N 26 122.119 120.840 1.279 1
1 364 . 11 1 1 A 27 27 ILE H H 27 7.340 7.743 -0.403 1
1 365 . 11 1 1 A 27 27 ILE HA H 27 3.450 3.631 -0.181 1
1 375 . 11 1 1 A 27 27 ILE C C 27 177.689 178.467 -0.778 1
1 376 . 11 1 1 A 27 27 ILE CA C 27 63.893 65.133 -1.240 1
1 377 . 11 1 1 A 27 27 ILE CB C 27 36.474 37.172 -0.698 1
1 381 . 11 1 1 A 27 27 ILE N N 27 115.446 120.473 -5.027 1
1 382 . 11 1 1 A 28 28 SER H H 28 8.203 8.036 0.167 1
1 383 . 11 1 1 A 28 28 SER HA H 28 4.144 4.301 -0.157 1
1 386 . 11 1 1 A 28 28 SER C C 28 177.220 177.114 0.106 1
1 387 . 11 1 1 A 28 28 SER CA C 28 61.085 61.396 -0.311 1
1 388 . 11 1 1 A 28 28 SER CB C 28 63.421 63.148 0.273 1
1 389 . 11 1 1 A 28 28 SER N N 28 113.324 116.866 -3.542 1
1 390 . 11 1 1 A 29 29 GLN H H 29 8.177 7.490 0.687 1
1 391 . 11 1 1 A 29 29 GLN HA H 29 4.003 4.064 -0.061 1
1 398 . 11 1 1 A 29 29 GLN C C 29 178.910 178.945 -0.035 1
1 399 . 11 1 1 A 29 29 GLN CA C 29 58.503 58.860 -0.357 1
1 400 . 11 1 1 A 29 29 GLN CB C 29 27.796 28.129 -0.333 1
1 402 . 11 1 1 A 29 29 GLN N N 29 120.561 121.584 -1.023 1
1 404 . 11 1 1 A 30 30 LEU H H 30 7.494 7.461 0.033 1
1 405 . 11 1 1 A 30 30 LEU HA H 30 4.258 4.063 0.195 1
1 415 . 11 1 1 A 30 30 LEU C C 30 178.956 177.147 1.809 1
1 416 . 11 1 1 A 30 30 LEU CA C 30 55.675 57.372 -1.697 1
1 417 . 11 1 1 A 30 30 LEU CB C 30 42.559 42.103 0.456 1
1 421 . 11 1 1 A 30 30 LEU N N 30 118.106 119.810 -1.704 1
1 422 . 11 1 1 A 31 31 MET H H 31 8.399 7.157 1.242 1
1 423 . 11 1 1 A 31 31 MET HA H 31 4.329 4.848 -0.519 1
1 428 . 11 1 1 A 31 31 MET C C 31 179.515 175.677 3.838 1
1 429 . 11 1 1 A 31 31 MET CA C 31 55.921 54.121 1.800 1
1 430 . 11 1 1 A 31 31 MET CB C 31 31.310 32.636 -1.326 1
1 432 . 11 1 1 A 31 31 MET N N 31 120.008 116.008 4.000 1
1 433 . 11 1 1 A 32 32 ILE H H 32 8.177 8.120 0.057 1
1 434 . 11 1 1 A 32 32 ILE HA H 32 3.423 4.041 -0.618 1
1 444 . 11 1 1 A 32 32 ILE C C 32 179.473 177.977 1.496 1
1 445 . 11 1 1 A 32 32 ILE CA C 32 67.639 63.441 4.198 1
1 446 . 11 1 1 A 32 32 ILE CB C 32 35.767 37.615 -1.848 1
1 450 . 11 1 1 A 32 32 ILE N N 32 114.338 119.260 -4.922 1
1 451 . 11 1 1 A 33 33 THR H H 33 8.957 7.617 1.340 1
1 452 . 11 1 1 A 33 33 THR HA H 33 4.143 4.200 -0.057 1
1 457 . 11 1 1 A 33 33 THR C C 33 174.361 174.878 -0.517 1
1 458 . 11 1 1 A 33 33 THR CA C 33 62.251 64.671 -2.420 1
1 459 . 11 1 1 A 33 33 THR CB C 33 68.581 68.589 -0.008 1
1 461 . 11 1 1 A 33 33 THR N N 33 110.164 112.936 -2.772 1
1 462 . 11 1 1 A 34 34 ARG H H 34 6.509 7.940 -1.431 1
1 463 . 11 1 1 A 34 34 ARG HA H 34 4.862 4.847 0.015 1
1 470 . 11 1 1 A 34 34 ARG C C 34 174.922 175.079 -0.157 1
1 471 . 11 1 1 A 34 34 ARG CA C 34 51.939 54.144 -2.205 1
1 472 . 11 1 1 A 34 34 ARG CB C 34 36.061 33.596 2.465 1
1 475 . 11 1 1 A 34 34 ARG N N 34 116.058 120.097 -4.039 1
1 476 . 11 1 1 A 35 35 ASN H H 35 8.733 9.041 -0.308 1
1 477 . 11 1 1 A 35 35 ASN HA H 35 4.810 5.118 -0.308 1
1 482 . 11 1 1 A 35 35 ASN C C 35 173.986 175.550 -1.564 1
1 483 . 11 1 1 A 35 35 ASN CA C 35 52.107 51.496 0.611 1
1 484 . 11 1 1 A 35 35 ASN CB C 35 36.636 38.203 -1.567 1
1 485 . 11 1 1 A 35 35 ASN N N 35 122.840 121.082 1.758 1
1 487 . 11 1 1 A 36 36 PRO HA H 36 4.197 4.475 -0.278 1
1 494 . 11 1 1 A 36 36 PRO C C 36 178.019 178.708 -0.689 1
1 495 . 11 1 1 A 36 36 PRO CA C 36 67.412 65.687 1.725 1
1 496 . 11 1 1 A 36 36 PRO CB C 36 32.018 31.848 0.170 1
1 499 . 11 1 1 A 37 37 ARG H H 37 7.804 8.411 -0.607 1
1 500 . 11 1 1 A 37 37 ARG HA H 37 3.749 3.939 -0.190 1
1 507 . 11 1 1 A 37 37 ARG C C 37 178.300 178.969 -0.669 1
1 508 . 11 1 1 A 37 37 ARG CA C 37 59.202 58.835 0.367 1
1 509 . 11 1 1 A 37 37 ARG CB C 37 29.435 29.476 -0.041 1
1 512 . 11 1 1 A 37 37 ARG N N 37 117.759 117.592 0.167 1
1 513 . 11 1 1 A 38 38 GLN H H 38 8.682 8.655 0.027 1
1 514 . 11 1 1 A 38 38 GLN HA H 38 4.043 4.188 -0.145 1
1 521 . 11 1 1 A 38 38 GLN C C 38 180.078 178.304 1.774 1
1 522 . 11 1 1 A 38 38 GLN CA C 38 58.506 59.028 -0.522 1
1 523 . 11 1 1 A 38 38 GLN CB C 38 29.431 28.529 0.902 1
1 525 . 11 1 1 A 38 38 GLN N N 38 117.504 118.723 -1.219 1
1 527 . 11 1 1 A 39 39 CYS H H 39 8.095 7.965 0.130 1
1 528 . 11 1 1 A 39 39 CYS HA H 39 4.059 4.422 -0.363 1
1 531 . 11 1 1 A 39 39 CYS C C 39 173.893 177.156 -3.263 1
1 532 . 11 1 1 A 39 39 CYS CA C 39 64.592 62.282 2.310 1
1 533 . 11 1 1 A 39 39 CYS CB C 39 27.328 27.181 0.147 1
1 534 . 11 1 1 A 39 39 CYS N N 39 116.291 118.609 -2.318 1
1 535 . 11 1 1 A 40 40 ARG H H 40 7.589 7.700 -0.111 1
1 536 . 11 1 1 A 40 40 ARG HA H 40 1.821 2.256 -0.435 1
1 543 . 11 1 1 A 40 40 ARG C C 40 178.204 178.285 -0.081 1
1 544 . 11 1 1 A 40 40 ARG CA C 40 58.264 58.669 -0.405 1
1 545 . 11 1 1 A 40 40 ARG CB C 40 29.440 28.927 0.513 1
1 548 . 11 1 1 A 40 40 ARG N N 40 121.272 122.473 -1.201 1
1 549 . 11 1 1 A 41 41 GLU H H 41 8.352 8.113 0.239 1
1 550 . 11 1 1 A 41 41 GLU HA H 41 3.817 3.933 -0.116 1
1 555 . 11 1 1 A 41 41 GLU C C 41 178.718 179.624 -0.906 1
1 556 . 11 1 1 A 41 41 GLU CA C 41 58.971 59.336 -0.365 1
1 557 . 11 1 1 A 41 41 GLU CB C 41 28.972 29.248 -0.276 1
1 559 . 11 1 1 A 41 41 GLU N N 41 117.034 117.376 -0.342 1
1 560 . 11 1 1 A 42 42 ARG H H 42 7.755 7.768 -0.013 1
1 561 . 11 1 1 A 42 42 ARG HA H 42 3.931 4.252 -0.321 1
1 568 . 11 1 1 A 42 42 ARG C C 42 179.333 178.467 0.866 1
1 569 . 11 1 1 A 42 42 ARG CA C 42 57.261 59.724 -2.463 1
1 570 . 11 1 1 A 42 42 ARG CB C 42 29.610 29.985 -0.375 1
1 573 . 11 1 1 A 42 42 ARG N N 42 119.603 119.851 -0.248 1
1 574 . 11 1 1 A 43 43 TRP H H 43 8.199 8.164 0.035 1
1 575 . 11 1 1 A 43 43 TRP HA H 43 4.292 4.382 -0.090 1
1 579 . 11 1 1 A 43 43 TRP C C 43 176.705 178.778 -2.073 1
1 580 . 11 1 1 A 43 43 TRP CA C 43 57.006 61.310 -4.304 1
1 581 . 11 1 1 A 43 43 TRP CB C 43 29.620 29.681 -0.061 1
1 582 . 11 1 1 A 43 43 TRP N N 43 119.355 122.251 -2.896 1
1 584 . 11 1 1 A 44 44 ASN H H 44 8.478 8.272 0.206 1
1 585 . 11 1 1 A 44 44 ASN HA H 44 4.177 4.543 -0.366 1
1 590 . 11 1 1 A 44 44 ASN C C 44 176.986 176.909 0.077 1
1 591 . 11 1 1 A 44 44 ASN CA C 44 55.457 55.991 -0.534 1
1 592 . 11 1 1 A 44 44 ASN CB C 44 38.347 38.564 -0.217 1
1 593 . 11 1 1 A 44 44 ASN N N 44 113.530 118.707 -5.177 1
1 595 . 11 1 1 A 45 45 ASN H H 45 8.060 8.241 -0.181 1
1 596 . 11 1 1 A 45 45 ASN HA H 45 4.630 4.734 -0.104 1
1 601 . 11 1 1 A 45 45 ASN C C 45 175.347 174.979 0.368 1
1 602 . 11 1 1 A 45 45 ASN CA C 45 53.350 53.710 -0.360 1
1 603 . 11 1 1 A 45 45 ASN CB C 45 39.047 38.791 0.256 1
1 604 . 11 1 1 A 45 45 ASN N N 45 112.540 114.378 -1.838 1
1 606 . 11 1 1 A 46 46 TYR H H 46 7.443 7.960 -0.517 1
1 607 . 11 1 1 A 46 46 TYR HA H 46 4.447 5.105 -0.658 1
1 614 . 11 1 1 A 46 46 TYR C C 46 175.439 175.018 0.421 1
1 615 . 11 1 1 A 46 46 TYR CA C 46 60.074 59.281 0.793 1
1 616 . 11 1 1 A 46 46 TYR CB C 46 40.383 40.498 -0.115 1
1 621 . 11 1 1 A 46 46 TYR N N 46 117.403 118.614 -1.211 1
1 622 . 11 1 1 A 47 47 ILE HA H 47 3.786 4.597 -0.811 1
1 632 . 11 1 1 A 47 47 ILE C C 47 175.440 173.969 1.471 1
1 633 . 11 1 1 A 47 47 ILE CA C 47 62.240 59.125 3.115 1
1 634 . 11 1 1 A 47 47 ILE CB C 47 38.670 40.984 -2.314 1
1 638 . 11 1 1 A 48 48 ASN H H 48 7.922 8.717 -0.795 1
1 639 . 11 1 1 A 48 48 ASN HA H 48 3.795 4.343 -0.548 1
1 642 . 11 1 1 A 48 48 ASN C C 48 174.640 175.511 -0.871 1
1 643 . 11 1 1 A 48 48 ASN N N 48 119.990 119.958 0.032 1
1 645 . 11 1 1 A 49 49 PRO HA H 49 4.166 4.494 -0.328 1
1 652 . 11 1 1 A 49 49 PRO C C 49 177.408 176.397 1.011 1
1 653 . 11 1 1 A 49 49 PRO CA C 49 64.124 63.465 0.659 1
1 654 . 11 1 1 A 49 49 PRO CB C 49 31.313 32.374 -1.061 1
1 657 . 11 1 1 A 50 50 ALA H H 50 7.595 7.921 -0.326 1
1 658 . 11 1 1 A 50 50 ALA HA H 50 4.128 3.953 0.175 1
1 662 . 11 1 1 A 50 50 ALA C C 50 178.251 177.581 0.670 1
1 663 . 11 1 1 A 50 50 ALA CA C 50 52.642 52.959 -0.317 1
1 664 . 11 1 1 A 50 50 ALA CB C 50 18.422 17.263 1.159 1
1 665 . 11 1 1 A 50 50 ALA N N 50 120.036 120.382 -0.346 1
1 666 . 11 1 1 A 51 51 LEU H H 51 7.586 7.959 -0.373 1
1 667 . 11 1 1 A 51 51 LEU HA H 51 4.119 4.570 -0.451 1
1 677 . 11 1 1 A 51 51 LEU C C 51 177.686 177.662 0.024 1
1 678 . 11 1 1 A 51 51 LEU CA C 51 55.219 54.386 0.833 1
1 679 . 11 1 1 A 51 51 LEU CB C 51 41.883 41.725 0.158 1
1 683 . 11 1 1 A 51 51 LEU N N 51 118.197 116.105 2.092 1
1 684 . 11 1 1 A 52 52 ARG H H 52 8.013 7.861 0.152 1
1 685 . 11 1 1 A 52 52 ARG HA H 52 4.334 4.144 0.190 1
1 692 . 11 1 1 A 52 52 ARG C C 52 176.658 176.269 0.389 1
1 693 . 11 1 1 A 52 52 ARG CA C 52 55.923 58.486 -2.563 1
1 694 . 11 1 1 A 52 52 ARG CB C 52 31.086 30.220 0.866 1
1 697 . 11 1 1 A 52 52 ARG N N 52 119.899 120.642 -0.743 1
1 698 . 11 1 1 A 53 53 THR H H 53 8.187 7.486 0.701 1
1 699 . 11 1 1 A 53 53 THR HA H 53 4.345 4.547 -0.202 1
1 704 . 11 1 1 A 53 53 THR C C 53 173.892 172.284 1.608 1
1 705 . 11 1 1 A 53 53 THR CA C 53 60.611 61.506 -0.895 1
1 706 . 11 1 1 A 53 53 THR CB C 53 69.514 68.897 0.617 1
1 708 . 11 1 1 A 53 53 THR N N 53 113.907 112.909 0.998 1
1 709 . 11 1 1 A 54 54 ASP H H 54 8.430 9.020 -0.590 1
1 710 . 11 1 1 A 54 54 ASP HA H 54 4.810 5.246 -0.436 1
1 713 . 11 1 1 A 54 54 ASP C C 54 174.082 173.940 0.142 1
1 714 . 11 1 1 A 54 54 ASP CA C 54 52.578 51.455 1.123 1
1 715 . 11 1 1 A 54 54 ASP CB C 54 39.685 41.474 -1.789 1
1 716 . 11 1 1 A 54 54 ASP N N 54 123.174 127.099 -3.925 1
1 717 . 11 1 1 A 55 55 PRO HA H 55 4.561 4.616 -0.055 1
1 724 . 11 1 1 A 55 55 PRO C C 55 177.127 176.696 0.431 1
1 725 . 11 1 1 A 55 55 PRO CA C 55 62.958 62.559 0.399 1
1 726 . 11 1 1 A 55 55 PRO CB C 55 32.013 32.250 -0.237 1
1 729 . 11 1 1 A 56 56 TRP H H 56 8.721 7.653 1.068 1
1 730 . 11 1 1 A 56 56 TRP HA H 56 4.351 4.977 -0.626 1
1 739 . 11 1 1 A 56 56 TRP C C 56 177.127 175.366 1.761 1
1 740 . 11 1 1 A 56 56 TRP CA C 56 57.796 56.180 1.616 1
1 741 . 11 1 1 A 56 56 TRP CB C 56 28.732 31.420 -2.688 1
1 747 . 11 1 1 A 56 56 TRP N N 56 124.713 120.750 3.963 1
1 749 . 11 1 1 A 57 57 SER H H 57 9.085 9.039 0.046 1
1 750 . 11 1 1 A 57 57 SER HA H 57 4.957 4.946 0.011 1
1 753 . 11 1 1 A 57 57 SER C C 57 173.562 174.526 -0.964 1
1 754 . 11 1 1 A 57 57 SER CA C 57 55.852 56.361 -0.509 1
1 755 . 11 1 1 A 57 57 SER CB C 57 63.824 65.926 -2.102 1
1 756 . 11 1 1 A 57 57 SER N N 57 122.041 114.989 7.052 1
1 757 . 11 1 1 A 58 58 PRO HA H 58 4.444 4.317 0.127 1
1 764 . 11 1 1 A 58 58 PRO C C 58 179.777 178.742 1.035 1
1 765 . 11 1 1 A 58 58 PRO CA C 58 65.071 65.160 -0.089 1
1 766 . 11 1 1 A 58 58 PRO CB C 58 31.546 31.944 -0.398 1
1 769 . 11 1 1 A 59 59 GLU H H 59 8.788 8.466 0.322 1
1 770 . 11 1 1 A 59 59 GLU HA H 59 4.088 4.109 -0.021 1
1 775 . 11 1 1 A 59 59 GLU C C 59 179.656 179.022 0.634 1
1 776 . 11 1 1 A 59 59 GLU CA C 59 60.373 59.887 0.486 1
1 777 . 11 1 1 A 59 59 GLU CB C 59 28.505 29.141 -0.636 1
1 779 . 11 1 1 A 59 59 GLU N N 59 117.546 117.210 0.336 1
1 780 . 11 1 1 A 60 60 GLU H H 60 7.977 8.177 -0.200 1
1 781 . 11 1 1 A 60 60 GLU HA H 60 4.015 4.071 -0.056 1
1 786 . 11 1 1 A 60 60 GLU C C 60 178.440 178.725 -0.285 1
1 787 . 11 1 1 A 60 60 GLU CA C 60 59.913 59.036 0.877 1
1 788 . 11 1 1 A 60 60 GLU CB C 60 31.541 28.988 2.553 1
1 790 . 11 1 1 A 60 60 GLU N N 60 122.264 119.521 2.743 1
1 791 . 11 1 1 A 61 61 ASP H H 61 8.267 8.265 0.002 1
1 792 . 11 1 1 A 61 61 ASP HA H 61 4.654 4.613 0.041 1
1 795 . 11 1 1 A 61 61 ASP C C 61 179.469 178.450 1.019 1
1 796 . 11 1 1 A 61 61 ASP CA C 61 57.562 57.740 -0.178 1
1 797 . 11 1 1 A 61 61 ASP CB C 61 39.987 41.544 -1.557 1
1 798 . 11 1 1 A 61 61 ASP N N 61 120.543 120.337 0.206 1
1 799 . 11 1 1 A 62 62 MET H H 62 8.139 8.623 -0.484 1
1 800 . 11 1 1 A 62 62 MET HA H 62 4.284 4.240 0.044 1
1 805 . 11 1 1 A 62 62 MET C C 62 178.811 178.223 0.588 1
1 806 . 11 1 1 A 62 62 MET CA C 62 58.505 58.473 0.032 1
1 807 . 11 1 1 A 62 62 MET CB C 62 32.251 32.341 -0.090 1
1 809 . 11 1 1 A 62 62 MET N N 62 119.343 118.374 0.969 1
1 810 . 11 1 1 A 63 63 LEU H H 63 7.959 7.652 0.307 1
1 811 . 11 1 1 A 63 63 LEU HA H 63 4.212 4.096 0.116 1
1 821 . 11 1 1 A 63 63 LEU C C 63 177.642 178.273 -0.631 1
1 822 . 11 1 1 A 63 63 LEU CA C 63 57.562 57.261 0.301 1
1 823 . 11 1 1 A 63 63 LEU CB C 63 42.096 41.714 0.382 1
1 827 . 11 1 1 A 63 63 LEU N N 63 122.676 123.100 -0.424 1
1 828 . 11 1 1 A 64 64 LEU H H 64 8.784 8.385 0.399 1
1 829 . 11 1 1 A 64 64 LEU HA H 64 4.119 4.057 0.062 1
1 839 . 11 1 1 A 64 64 LEU C C 64 177.515 178.029 -0.514 1
1 840 . 11 1 1 A 64 64 LEU CA C 64 58.738 57.628 1.110 1
1 841 . 11 1 1 A 64 64 LEU CB C 64 41.395 42.015 -0.620 1
1 845 . 11 1 1 A 64 64 LEU N N 64 120.877 120.150 0.727 1
1 846 . 11 1 1 A 65 65 ASP H H 65 8.085 8.824 -0.739 1
1 847 . 11 1 1 A 65 65 ASP HA H 65 4.630 4.466 0.164 1
1 850 . 11 1 1 A 65 65 ASP C C 65 179.391 178.301 1.090 1
1 851 . 11 1 1 A 65 65 ASP CA C 65 57.566 57.443 0.123 1
1 852 . 11 1 1 A 65 65 ASP CB C 65 41.626 41.957 -0.331 1
1 853 . 11 1 1 A 65 65 ASP N N 65 118.583 119.223 -0.640 1
1 854 . 11 1 1 A 66 66 GLN H H 66 8.336 7.975 0.361 1
1 855 . 11 1 1 A 66 66 GLN HA H 66 4.050 4.137 -0.087 1
1 862 . 11 1 1 A 66 66 GLN C C 66 179.565 178.512 1.053 1
1 863 . 11 1 1 A 66 66 GLN CA C 66 58.739 58.464 0.275 1
1 864 . 11 1 1 A 66 66 GLN CB C 66 28.502 28.620 -0.118 1
1 866 . 11 1 1 A 66 66 GLN N N 66 118.725 117.964 0.761 1
1 868 . 11 1 1 A 67 67 LYS H H 67 9.126 7.462 1.664 1
1 869 . 11 1 1 A 67 67 LYS HA H 67 4.142 4.159 -0.017 1
1 878 . 11 1 1 A 67 67 LYS C C 67 178.671 178.790 -0.119 1
1 879 . 11 1 1 A 67 67 LYS CA C 67 56.156 58.935 -2.779 1
1 880 . 11 1 1 A 67 67 LYS CB C 67 31.550 32.712 -1.162 1
1 884 . 11 1 1 A 67 67 LYS N N 67 117.220 120.231 -3.011 1
1 885 . 11 1 1 A 68 68 TYR H H 68 9.361 8.743 0.618 1
1 886 . 11 1 1 A 68 68 TYR HA H 68 3.819 4.096 -0.277 1
1 893 . 11 1 1 A 68 68 TYR C C 68 179.235 177.753 1.482 1
1 894 . 11 1 1 A 68 68 TYR CA C 68 61.547 61.850 -0.303 1
1 895 . 11 1 1 A 68 68 TYR CB C 68 37.881 38.517 -0.636 1
1 900 . 11 1 1 A 68 68 TYR N N 68 123.884 120.860 3.024 1
1 901 . 11 1 1 A 69 69 ALA H H 69 7.810 7.959 -0.149 1
1 902 . 11 1 1 A 69 69 ALA HA H 69 3.980 3.986 -0.006 1
1 906 . 11 1 1 A 69 69 ALA C C 69 178.673 179.025 -0.352 1
1 907 . 11 1 1 A 69 69 ALA CA C 69 54.755 55.194 -0.439 1
1 908 . 11 1 1 A 69 69 ALA CB C 69 17.253 18.595 -1.342 1
1 909 . 11 1 1 A 69 69 ALA N N 69 121.733 121.528 0.205 1
1 910 . 11 1 1 A 70 70 GLU H H 70 7.091 7.803 -0.712 1
1 911 . 11 1 1 A 70 70 GLU HA H 70 3.848 4.125 -0.277 1
1 916 . 11 1 1 A 70 70 GLU C C 70 178.018 178.100 -0.082 1
1 917 . 11 1 1 A 70 70 GLU CA C 70 58.566 58.372 0.194 1
1 918 . 11 1 1 A 70 70 GLU CB C 70 30.609 30.420 0.189 1
1 920 . 11 1 1 A 70 70 GLU N N 70 115.850 117.343 -1.493 1
1 921 . 11 1 1 A 71 71 TYR H H 71 8.270 8.476 -0.206 1
1 922 . 11 1 1 A 71 71 TYR HA H 71 4.537 4.207 0.330 1
1 929 . 11 1 1 A 71 71 TYR C C 71 177.174 176.259 0.915 1
1 930 . 11 1 1 A 71 71 TYR CA C 71 57.796 60.575 -2.779 1
1 931 . 11 1 1 A 71 71 TYR CB C 71 40.219 38.696 1.523 1
1 936 . 11 1 1 A 71 71 TYR N N 71 114.509 118.268 -3.759 1
1 937 . 11 1 1 A 72 72 GLY H H 72 8.417 7.919 0.498 1
1 938 . 11 1 1 A 72 72 GLY HA2 H 72 3.720 2.924 0.796 1
1 939 . 11 1 1 A 72 72 GLY HA3 H 72 2.255 3.659 -1.404 1
1 940 . 11 1 1 A 72 72 GLY C C 72 172.111 173.680 -1.569 1
1 941 . 11 1 1 A 72 72 GLY CA C 72 43.439 43.745 -0.306 1
1 942 . 11 1 1 A 72 72 GLY N N 72 111.509 106.528 4.981 1
1 943 . 11 1 1 A 73 73 PRO HA H 73 2.587 2.930 -0.343 1
1 950 . 11 1 1 A 73 73 PRO C C 73 175.393 174.876 0.517 1
1 951 . 11 1 1 A 73 73 PRO CA C 73 62.018 62.730 -0.712 1
1 952 . 11 1 1 A 73 73 PRO CB C 73 28.033 31.465 -3.432 1
1 955 . 11 1 1 A 74 74 LYS H H 74 8.065 7.922 0.143 1
1 956 . 11 1 1 A 74 74 LYS HA H 74 4.259 4.293 -0.034 1
1 965 . 11 1 1 A 74 74 LYS C C 74 177.220 176.547 0.673 1
1 966 . 11 1 1 A 74 74 LYS CA C 74 52.641 54.645 -2.004 1
1 967 . 11 1 1 A 74 74 LYS CB C 74 30.145 30.266 -0.121 1
1 971 . 11 1 1 A 74 74 LYS N N 74 125.996 119.208 6.788 1
1 972 . 11 1 1 A 75 75 TRP H H 75 6.735 6.995 -0.260 1
1 973 . 11 1 1 A 75 75 TRP HA H 75 4.305 4.324 -0.019 1
1 982 . 11 1 1 A 75 75 TRP C C 75 177.174 178.583 -1.409 1
1 983 . 11 1 1 A 75 75 TRP CA C 75 58.969 59.826 -0.857 1
1 984 . 11 1 1 A 75 75 TRP CB C 75 29.668 29.017 0.651 1
1 990 . 11 1 1 A 75 75 TRP N N 75 122.056 121.531 0.525 1
1 992 . 11 1 1 A 76 76 ASN H H 76 8.732 8.346 0.386 1
1 993 . 11 1 1 A 76 76 ASN HA H 76 4.606 4.470 0.136 1
1 998 . 11 1 1 A 76 76 ASN C C 76 177.830 176.861 0.969 1
1 999 . 11 1 1 A 76 76 ASN CA C 76 55.925 56.423 -0.498 1
1 1000 . 11 1 1 A 76 76 ASN CB C 76 37.876 38.584 -0.708 1
1 1001 . 11 1 1 A 76 76 ASN N N 76 114.266 119.915 -5.649 1
1 1003 . 11 1 1 A 77 77 LYS H H 77 7.401 8.332 -0.931 1
1 1004 . 11 1 1 A 77 77 LYS HA H 77 3.979 3.969 0.010 1
1 1013 . 11 1 1 A 77 77 LYS C C 77 178.859 179.122 -0.263 1
1 1014 . 11 1 1 A 77 77 LYS CA C 77 57.800 58.573 -0.773 1
1 1015 . 11 1 1 A 77 77 LYS CB C 77 31.545 32.132 -0.587 1
1 1019 . 11 1 1 A 77 77 LYS N N 77 120.857 118.351 2.506 1
1 1020 . 11 1 1 A 78 78 ILE H H 78 7.754 7.596 0.158 1
1 1021 . 11 1 1 A 78 78 ILE HA H 78 3.679 3.815 -0.136 1
1 1031 . 11 1 1 A 78 78 ILE C C 78 178.202 178.239 -0.037 1
1 1032 . 11 1 1 A 78 78 ILE CA C 78 65.997 64.697 1.300 1
1 1033 . 11 1 1 A 78 78 ILE CB C 78 38.343 37.919 0.424 1
1 1037 . 11 1 1 A 78 78 ILE N N 78 118.290 121.347 -3.057 1
1 1038 . 11 1 1 A 79 79 SER H H 79 8.386 8.729 -0.343 1
1 1039 . 11 1 1 A 79 79 SER HA H 79 4.049 4.129 -0.080 1
1 1042 . 11 1 1 A 79 79 SER C C 79 175.627 176.413 -0.786 1
1 1043 . 11 1 1 A 79 79 SER CA C 79 61.084 61.115 -0.031 1
1 1044 . 11 1 1 A 79 79 SER CB C 79 62.720 63.051 -0.331 1
1 1045 . 11 1 1 A 79 79 SER N N 79 114.363 115.599 -1.236 1
1 1046 . 11 1 1 A 80 80 LYS H H 80 7.017 8.451 -1.434 1
1 1047 . 11 1 1 A 80 80 LYS HA H 80 4.005 4.053 -0.048 1
1 1056 . 11 1 1 A 80 80 LYS C C 80 177.361 177.492 -0.131 1
1 1057 . 11 1 1 A 80 80 LYS CA C 80 57.098 58.383 -1.285 1
1 1058 . 11 1 1 A 80 80 LYS CB C 80 31.083 31.782 -0.699 1
1 1062 . 11 1 1 A 80 80 LYS N N 80 118.534 118.651 -0.117 1
1 1063 . 11 1 1 A 81 81 PHE H H 81 7.932 8.084 -0.152 1
1 1064 . 11 1 1 A 81 81 PHE HA H 81 4.467 4.466 0.001 1
1 1071 . 11 1 1 A 81 81 PHE C C 81 174.969 176.555 -1.586 1
1 1072 . 11 1 1 A 81 81 PHE CA C 81 58.500 60.195 -1.695 1
1 1073 . 11 1 1 A 81 81 PHE CB C 81 39.516 38.104 1.412 1
1 1078 . 11 1 1 A 81 81 PHE N N 81 114.880 117.545 -2.665 1
1 1079 . 11 1 1 A 82 82 LEU H H 82 7.487 7.038 0.449 1
1 1080 . 11 1 1 A 82 82 LEU HA H 82 4.666 4.396 0.270 1
1 1090 . 11 1 1 A 82 82 LEU C C 82 175.107 177.550 -2.443 1
1 1091 . 11 1 1 A 82 82 LEU CA C 82 52.875 55.984 -3.109 1
1 1092 . 11 1 1 A 82 82 LEU CB C 82 42.802 42.297 0.505 1
1 1096 . 11 1 1 A 82 82 LEU N N 82 122.945 117.317 5.628 1
1 1097 . 11 1 1 A 83 83 LYS H H 83 8.256 8.508 -0.252 1
1 1098 . 11 1 1 A 83 83 LYS HA H 83 4.120 4.002 0.118 1
1 1107 . 11 1 1 A 83 83 LYS C C 83 176.236 176.613 -0.377 1
1 1108 . 11 1 1 A 83 83 LYS CA C 83 56.630 57.742 -1.112 1
1 1109 . 11 1 1 A 83 83 LYS CB C 83 31.786 32.045 -0.259 1
1 1113 . 11 1 1 A 83 83 LYS N N 83 118.856 119.120 -0.264 1
1 1114 . 11 1 1 A 84 84 ASN H H 84 8.684 8.217 0.467 1
1 1115 . 11 1 1 A 84 84 ASN HA H 84 4.304 4.870 -0.566 1
1 1120 . 11 1 1 A 84 84 ASN C C 84 173.846 175.123 -1.277 1
1 1121 . 11 1 1 A 84 84 ASN CA C 84 53.816 53.318 0.498 1
1 1122 . 11 1 1 A 84 84 ASN CB C 84 37.176 40.422 -3.246 1
1 1123 . 11 1 1 A 84 84 ASN N N 84 116.099 116.080 0.019 1
1 1125 . 11 1 1 A 85 85 ARG H H 85 7.665 7.855 -0.190 1
1 1126 . 11 1 1 A 85 85 ARG HA H 85 4.675 4.808 -0.133 1
1 1132 . 11 1 1 A 85 85 ARG C C 85 175.529 174.584 0.945 1
1 1133 . 11 1 1 A 85 85 ARG CA C 85 53.112 54.188 -1.076 1
1 1134 . 11 1 1 A 85 85 ARG CB C 85 31.783 32.188 -0.405 1
1 1137 . 11 1 1 A 85 85 ARG N N 85 116.162 118.458 -2.296 1
1 1139 . 11 1 1 A 86 86 SER H H 86 8.864 8.426 0.438 1
1 1140 . 11 1 1 A 86 86 SER HA H 86 4.488 4.929 -0.441 1
1 1143 . 11 1 1 A 86 86 SER C C 86 174.407 175.463 -1.056 1
1 1144 . 11 1 1 A 86 86 SER CA C 86 57.093 55.852 1.241 1
1 1145 . 11 1 1 A 86 86 SER CB C 86 64.840 65.020 -0.180 1
1 1146 . 11 1 1 A 86 86 SER N N 86 119.204 114.479 4.725 1
1 1147 . 11 1 1 A 87 87 ASP H H 87 8.784 9.084 -0.300 1
1 1148 . 11 1 1 A 87 87 ASP HA H 87 4.095 4.406 -0.311 1
1 1151 . 11 1 1 A 87 87 ASP C C 87 178.111 178.244 -0.133 1
1 1152 . 11 1 1 A 87 87 ASP CA C 87 57.801 56.689 1.112 1
1 1153 . 11 1 1 A 87 87 ASP CB C 87 39.056 40.009 -0.953 1
1 1154 . 11 1 1 A 87 87 ASP N N 87 121.415 125.732 -4.317 1
1 1155 . 11 1 1 A 88 88 ASN H H 88 8.491 7.777 0.714 1
1 1156 . 11 1 1 A 88 88 ASN HA H 88 4.166 4.333 -0.167 1
1 1161 . 11 1 1 A 88 88 ASN C C 88 176.842 177.083 -0.241 1
1 1162 . 11 1 1 A 88 88 ASN CA C 88 55.458 55.507 -0.049 1
1 1163 . 11 1 1 A 88 88 ASN CB C 88 38.103 38.091 0.012 1
1 1164 . 11 1 1 A 88 88 ASN N N 88 115.811 118.221 -2.410 1
1 1166 . 11 1 1 A 89 89 ASN H H 89 7.959 7.869 0.090 1
1 1167 . 11 1 1 A 89 89 ASN HA H 89 4.422 4.459 -0.037 1
1 1172 . 11 1 1 A 89 89 ASN C C 89 178.159 177.754 0.405 1
1 1173 . 11 1 1 A 89 89 ASN CA C 89 56.632 55.742 0.890 1
1 1174 . 11 1 1 A 89 89 ASN CB C 89 39.749 38.914 0.835 1
1 1175 . 11 1 1 A 89 89 ASN N N 89 120.679 117.808 2.871 1
1 1177 . 11 1 1 A 90 90 ILE H H 90 8.373 8.450 -0.077 1
1 1178 . 11 1 1 A 90 90 ILE HA H 90 3.840 3.989 -0.149 1
1 1188 . 11 1 1 A 90 90 ILE C C 90 176.191 177.799 -1.608 1
1 1189 . 11 1 1 A 90 90 ILE CA C 90 65.298 65.026 0.272 1
1 1190 . 11 1 1 A 90 90 ILE CB C 90 38.109 37.911 0.198 1
1 1194 . 11 1 1 A 90 90 ILE N N 90 120.840 119.400 1.440 1
1 1195 . 11 1 1 A 91 91 ARG H H 91 7.749 7.561 0.188 1
1 1196 . 11 1 1 A 91 91 ARG HA H 91 2.077 2.878 -0.801 1
1 1203 . 11 1 1 A 91 91 ARG C C 91 178.063 177.852 0.211 1
1 1204 . 11 1 1 A 91 91 ARG CA C 91 58.500 58.818 -0.318 1
1 1205 . 11 1 1 A 91 91 ARG CB C 91 28.969 29.675 -0.706 1
1 1208 . 11 1 1 A 91 91 ARG N N 91 120.230 120.097 0.133 1
1 1209 . 11 1 1 A 92 92 ASN H H 92 7.959 8.025 -0.066 1
1 1210 . 11 1 1 A 92 92 ASN HA H 92 4.167 4.378 -0.211 1
1 1215 . 11 1 1 A 92 92 ASN C C 92 177.689 177.925 -0.236 1
1 1216 . 11 1 1 A 92 92 ASN CA C 92 55.640 56.075 -0.435 1
1 1217 . 11 1 1 A 92 92 ASN CB C 92 37.644 38.783 -1.139 1
1 1218 . 11 1 1 A 92 92 ASN N N 92 115.405 117.835 -2.430 1
1 1220 . 11 1 1 A 93 93 ARG H H 93 7.872 8.403 -0.531 1
1 1221 . 11 1 1 A 93 93 ARG HA H 93 3.610 3.739 -0.129 1
1 1229 . 11 1 1 A 93 93 ARG C C 93 177.737 178.863 -1.126 1
1 1230 . 11 1 1 A 93 93 ARG CA C 93 57.263 59.197 -1.934 1
1 1231 . 11 1 1 A 93 93 ARG CB C 93 29.141 29.669 -0.528 1
1 1234 . 11 1 1 A 93 93 ARG N N 93 122.360 118.127 4.233 1
1 1236 . 11 1 1 A 94 94 TRP H H 94 8.411 8.380 0.031 1
1 1237 . 11 1 1 A 94 94 TRP HA H 94 3.818 4.215 -0.397 1
1 1241 . 11 1 1 A 94 94 TRP N N 94 119.510 121.784 -2.274 1
1 1243 . 11 1 1 A 95 95 MET HA H 95 3.725 4.096 -0.371 1
1 1246 . 11 1 1 A 95 95 MET C C 95 178.580 178.419 0.161 1
1 1247 . 11 1 1 A 95 95 MET CA C 95 57.807 58.352 -0.545 1
1 1248 . 11 1 1 A 95 95 MET CB C 95 32.023 32.230 -0.207 1
1 1249 . 11 1 1 A 96 96 MET H H 96 7.580 8.205 -0.625 1
1 1250 . 11 1 1 A 96 96 MET HA H 96 3.980 4.189 -0.209 1
1 1255 . 11 1 1 A 96 96 MET C C 96 178.344 178.205 0.139 1
1 1256 . 11 1 1 A 96 96 MET CA C 96 58.033 57.678 0.355 1
1 1257 . 11 1 1 A 96 96 MET CB C 96 31.783 32.365 -0.582 1
1 1259 . 11 1 1 A 96 96 MET N N 96 118.340 118.978 -0.638 1
1 1260 . 11 1 1 A 97 97 ILE H H 97 7.884 7.893 -0.009 1
1 1261 . 11 1 1 A 97 97 ILE HA H 97 3.583 3.677 -0.094 1
1 1271 . 11 1 1 A 97 97 ILE C C 97 178.154 178.045 0.109 1
1 1272 . 11 1 1 A 97 97 ILE CA C 97 63.656 63.942 -0.286 1
1 1273 . 11 1 1 A 97 97 ILE CB C 97 37.637 36.433 1.204 1
1 1277 . 11 1 1 A 97 97 ILE N N 97 120.158 119.356 0.802 1
1 1278 . 11 1 1 A 98 98 ALA H H 98 8.064 8.452 -0.388 1
1 1279 . 11 1 1 A 98 98 ALA HA H 98 3.515 3.481 0.034 1
1 1283 . 11 1 1 A 98 98 ALA C C 98 180.224 178.708 1.516 1
1 1284 . 11 1 1 A 98 98 ALA CA C 98 54.283 54.008 0.275 1
1 1285 . 11 1 1 A 98 98 ALA CB C 98 17.251 17.967 -0.716 1
1 1286 . 11 1 1 A 98 98 ALA N N 98 123.446 122.324 1.122 1
1 1287 . 11 1 1 A 99 99 ARG H H 99 7.623 7.663 -0.040 1
1 1288 . 11 1 1 A 99 99 ARG HA H 99 3.934 4.026 -0.092 1
1 1295 . 11 1 1 A 99 99 ARG C C 99 177.923 178.386 -0.463 1
1 1296 . 11 1 1 A 99 99 ARG CA C 99 57.968 57.834 0.134 1
1 1297 . 11 1 1 A 99 99 ARG CB C 99 29.606 30.382 -0.776 1
1 1300 . 11 1 1 A 99 99 ARG N N 99 117.538 117.281 0.257 1
1 1301 . 11 1 1 A 100 100 HIS H H 100 7.797 8.557 -0.760 1
1 1302 . 11 1 1 A 100 100 HIS HA H 100 4.409 4.088 0.321 1
1 1307 . 11 1 1 A 100 100 HIS C C 100 176.575 176.713 -0.138 1
1 1308 . 11 1 1 A 100 100 HIS CA C 100 57.109 58.849 -1.740 1
1 1309 . 11 1 1 A 100 100 HIS CB C 100 29.204 29.735 -0.531 1
1 1312 . 11 1 1 A 100 100 HIS N N 100 118.311 121.302 -2.991 1
1 1313 . 11 1 1 A 101 101 ARG H H 101 8.057 7.127 0.930 1
1 1314 . 11 1 1 A 101 101 ARG HA H 101 4.062 3.714 0.348 1
1 1321 . 11 1 1 A 101 101 ARG C C 101 177.220 178.822 -1.602 1
1 1322 . 11 1 1 A 101 101 ARG CA C 101 57.556 58.004 -0.448 1
1 1323 . 11 1 1 A 101 101 ARG CB C 101 30.157 30.095 0.062 1
1 1326 . 11 1 1 A 101 101 ARG N N 101 119.935 118.212 1.723 1
1 1327 . 11 1 1 A 102 102 ALA H H 102 7.917 8.118 -0.201 1
1 1328 . 11 1 1 A 102 102 ALA HA H 102 4.167 3.982 0.185 1
1 1332 . 11 1 1 A 102 102 ALA C C 102 178.532 179.007 -0.475 1
1 1333 . 11 1 1 A 102 102 ALA CA C 102 53.103 54.725 -1.622 1
1 1334 . 11 1 1 A 102 102 ALA CB C 102 18.447 18.348 0.099 1
1 1335 . 11 1 1 A 102 102 ALA N N 102 122.678 121.645 1.033 1
1 1336 . 11 1 1 A 103 103 LYS H H 103 7.884 7.498 0.386 1
1 1337 . 11 1 1 A 103 103 LYS HA H 103 4.121 4.240 -0.119 1
1 1346 . 11 1 1 A 103 103 LYS C C 103 177.080 178.628 -1.548 1
1 1347 . 11 1 1 A 103 103 LYS CA C 103 56.856 58.160 -1.304 1
1 1348 . 11 1 1 A 103 103 LYS CB C 103 32.480 33.123 -0.643 1
1 1352 . 11 1 1 A 103 103 LYS N N 103 118.773 116.977 1.796 1
1 1353 . 11 1 1 A 104 104 HIS H H 104 8.118 7.954 0.164 1
1 1354 . 11 1 1 A 104 104 HIS HA H 104 4.560 4.479 0.081 1
1 1359 . 11 1 1 A 104 104 HIS C C 104 175.204 177.129 -1.925 1
1 1360 . 11 1 1 A 104 104 HIS CA C 104 55.932 58.541 -2.609 1
1 1361 . 11 1 1 A 104 104 HIS CB C 104 29.448 28.677 0.771 1
1 1364 . 11 1 1 A 104 104 HIS N N 104 118.685 118.014 0.671 1
1 1365 . 11 1 1 A 105 105 GLN H H 105 8.233 7.696 0.537 1
1 1366 . 11 1 1 A 105 105 GLN HA H 105 4.218 4.060 0.158 1
1 1373 . 11 1 1 A 105 105 GLN C C 105 176.172 177.035 -0.863 1
1 1374 . 11 1 1 A 105 105 GLN CA C 105 56.130 58.352 -2.222 1
1 1375 . 11 1 1 A 105 105 GLN CB C 105 28.976 29.005 -0.029 1
1 1377 . 11 1 1 A 105 105 GLN N N 105 121.104 120.789 0.315 1
1 1379 . 11 1 1 A 106 106 LYS H H 106 8.346 7.624 0.722 1
1 1380 . 11 1 1 A 106 106 LYS HA H 106 4.239 4.598 -0.359 1
1 1389 . 11 1 1 A 106 106 LYS C C 106 177.022 176.397 0.625 1
1 1390 . 11 1 1 A 106 106 LYS CA C 106 56.647 57.623 -0.976 1
1 1391 . 11 1 1 A 106 106 LYS CB C 106 32.481 34.947 -2.466 1
1 1395 . 11 1 1 A 106 106 LYS N N 106 122.274 118.967 3.307 1
1 16 . 12 1 1 A 2 2 VAL H H 2 8.319 8.184 0.135 1
1 17 . 12 1 1 A 2 2 VAL HA H 2 4.096 4.162 -0.066 1
1 25 . 12 1 1 A 2 2 VAL C C 2 176.167 176.570 -0.403 1
1 26 . 12 1 1 A 2 2 VAL CA C 2 67.781 61.173 6.608 1
1 27 . 12 1 1 A 2 2 VAL CB C 2 32.484 32.671 -0.187 1
1 30 . 12 1 1 A 2 2 VAL N N 2 122.596 119.035 3.561 1
1 31 . 12 1 1 A 3 3 LYS H H 3 8.470 8.611 -0.141 1
1 32 . 12 1 1 A 3 3 LYS HA H 3 4.327 3.936 0.391 1
1 41 . 12 1 1 A 3 3 LYS C C 3 176.713 177.057 -0.344 1
1 42 . 12 1 1 A 3 3 LYS CA C 3 56.391 59.948 -3.557 1
1 43 . 12 1 1 A 3 3 LYS CB C 3 32.723 32.230 0.493 1
1 47 . 12 1 1 A 3 3 LYS N N 3 127.359 125.124 2.235 1
1 48 . 12 1 1 A 4 4 PHE H H 4 8.471 7.607 0.864 1
1 49 . 12 1 1 A 4 4 PHE HA H 4 4.491 4.588 -0.097 1
1 57 . 12 1 1 A 4 4 PHE C C 4 177.923 175.423 2.500 1
1 58 . 12 1 1 A 4 4 PHE CA C 4 57.566 56.113 1.453 1
1 59 . 12 1 1 A 4 4 PHE CB C 4 39.751 40.136 -0.385 1
1 65 . 12 1 1 A 4 4 PHE N N 4 125.570 116.736 8.834 1
1 66 . 12 1 1 A 5 5 THR H H 5 8.880 8.444 0.436 1
1 67 . 12 1 1 A 5 5 THR HA H 5 4.490 4.565 -0.075 1
1 72 . 12 1 1 A 5 5 THR C C 5 175.297 175.869 -0.572 1
1 73 . 12 1 1 A 5 5 THR CA C 5 60.140 61.008 -0.868 1
1 74 . 12 1 1 A 5 5 THR CB C 5 70.922 69.908 1.014 1
1 76 . 12 1 1 A 5 5 THR N N 5 114.601 114.852 -0.251 1
1 77 . 12 1 1 A 6 6 GLU H H 6 9.000 9.099 -0.099 1
1 78 . 12 1 1 A 6 6 GLU HA H 6 4.142 4.084 0.058 1
1 83 . 12 1 1 A 6 6 GLU C C 6 179.326 178.346 0.980 1
1 84 . 12 1 1 A 6 6 GLU CA C 6 59.675 60.056 -0.381 1
1 85 . 12 1 1 A 6 6 GLU CB C 6 29.203 29.300 -0.097 1
1 87 . 12 1 1 A 6 6 GLU N N 6 121.577 127.424 -5.847 1
1 88 . 12 1 1 A 7 7 GLU H H 7 8.658 8.736 -0.078 1
1 89 . 12 1 1 A 7 7 GLU HA H 7 4.026 4.004 0.022 1
1 94 . 12 1 1 A 7 7 GLU C C 7 179.616 179.736 -0.120 1
1 95 . 12 1 1 A 7 7 GLU CA C 7 59.683 59.468 0.215 1
1 96 . 12 1 1 A 7 7 GLU CB C 7 28.972 29.323 -0.351 1
1 98 . 12 1 1 A 7 7 GLU N N 7 118.231 120.287 -2.056 1
1 99 . 12 1 1 A 8 8 GLU H H 8 7.930 8.128 -0.198 1
1 100 . 12 1 1 A 8 8 GLU HA H 8 3.955 4.150 -0.195 1
1 105 . 12 1 1 A 8 8 GLU C C 8 178.395 178.991 -0.596 1
1 106 . 12 1 1 A 8 8 GLU CA C 8 59.672 59.404 0.268 1
1 107 . 12 1 1 A 8 8 GLU CB C 8 31.318 29.795 1.523 1
1 109 . 12 1 1 A 8 8 GLU N N 8 121.169 120.638 0.531 1
1 110 . 12 1 1 A 9 9 ASP H H 9 8.507 8.326 0.181 1
1 111 . 12 1 1 A 9 9 ASP HA H 9 4.677 4.514 0.163 1
1 114 . 12 1 1 A 9 9 ASP C C 9 179.329 178.036 1.293 1
1 115 . 12 1 1 A 9 9 ASP CA C 9 57.562 57.132 0.430 1
1 116 . 12 1 1 A 9 9 ASP CB C 9 40.217 41.577 -1.360 1
1 117 . 12 1 1 A 9 9 ASP N N 9 121.164 120.403 0.761 1
1 118 . 12 1 1 A 10 10 LEU H H 10 8.042 7.733 0.309 1
1 119 . 12 1 1 A 10 10 LEU HA H 10 4.143 4.042 0.101 1
1 129 . 12 1 1 A 10 10 LEU C C 10 179.329 179.072 0.257 1
1 130 . 12 1 1 A 10 10 LEU CA C 10 57.796 57.398 0.398 1
1 131 . 12 1 1 A 10 10 LEU CB C 10 41.392 41.304 0.088 1
1 135 . 12 1 1 A 10 10 LEU N N 10 120.628 119.602 1.026 1
1 136 . 12 1 1 A 11 11 LYS H H 11 8.040 8.405 -0.365 1
1 137 . 12 1 1 A 11 11 LYS HA H 11 4.049 3.958 0.091 1
1 146 . 12 1 1 A 11 11 LYS C C 11 178.345 178.668 -0.323 1
1 147 . 12 1 1 A 11 11 LYS CA C 11 59.199 59.608 -0.409 1
1 148 . 12 1 1 A 11 11 LYS CB C 11 32.488 32.110 0.378 1
1 152 . 12 1 1 A 11 11 LYS N N 11 121.016 120.352 0.664 1
1 153 . 12 1 1 A 12 12 LEU H H 12 8.865 8.201 0.664 1
1 154 . 12 1 1 A 12 12 LEU HA H 12 4.258 3.957 0.301 1
1 164 . 12 1 1 A 12 12 LEU C C 12 178.298 179.182 -0.884 1
1 165 . 12 1 1 A 12 12 LEU CA C 12 58.500 58.049 0.451 1
1 166 . 12 1 1 A 12 12 LEU CB C 12 41.389 41.259 0.130 1
1 169 . 12 1 1 A 12 12 LEU N N 12 120.138 119.381 0.757 1
1 170 . 12 1 1 A 13 13 GLN H H 13 8.400 7.784 0.616 1
1 171 . 12 1 1 A 13 13 GLN HA H 13 4.097 4.005 0.092 1
1 178 . 12 1 1 A 13 13 GLN C C 13 178.254 177.939 0.315 1
1 179 . 12 1 1 A 13 13 GLN CA C 13 59.693 59.358 0.335 1
1 180 . 12 1 1 A 13 13 GLN CB C 13 28.733 28.197 0.536 1
1 182 . 12 1 1 A 13 13 GLN N N 13 117.136 118.420 -1.284 1
1 184 . 12 1 1 A 14 14 GLN H H 14 8.175 7.514 0.661 1
1 185 . 12 1 1 A 14 14 GLN HA H 14 3.980 4.168 -0.188 1
1 192 . 12 1 1 A 14 14 GLN C C 14 179.518 178.487 1.031 1
1 193 . 12 1 1 A 14 14 GLN CA C 14 58.745 58.183 0.562 1
1 194 . 12 1 1 A 14 14 GLN CB C 14 28.034 28.920 -0.886 1
1 196 . 12 1 1 A 14 14 GLN N N 14 117.947 118.062 -0.115 1
1 198 . 12 1 1 A 15 15 LEU H H 15 8.721 8.542 0.179 1
1 199 . 12 1 1 A 15 15 LEU HA H 15 4.143 3.911 0.232 1
1 209 . 12 1 1 A 15 15 LEU C C 15 178.956 179.135 -0.179 1
1 210 . 12 1 1 A 15 15 LEU CA C 15 57.562 58.039 -0.477 1
1 211 . 12 1 1 A 15 15 LEU CB C 15 42.801 42.383 0.418 1
1 215 . 12 1 1 A 15 15 LEU N N 15 120.641 120.166 0.475 1
1 216 . 12 1 1 A 16 16 VAL H H 16 8.603 8.505 0.098 1
1 217 . 12 1 1 A 16 16 VAL HA H 16 3.230 3.360 -0.130 1
1 225 . 12 1 1 A 16 16 VAL C C 16 179.988 178.038 1.950 1
1 226 . 12 1 1 A 16 16 VAL CA C 16 65.733 66.770 -1.037 1
1 227 . 12 1 1 A 16 16 VAL CB C 16 30.609 31.533 -0.924 1
1 230 . 12 1 1 A 16 16 VAL N N 16 120.873 117.379 3.494 1
1 231 . 12 1 1 A 17 17 MET H H 17 8.058 8.139 -0.081 1
1 232 . 12 1 1 A 17 17 MET HA H 17 4.050 4.191 -0.141 1
1 237 . 12 1 1 A 17 17 MET C C 17 177.501 178.364 -0.863 1
1 238 . 12 1 1 A 17 17 MET CA C 17 58.270 58.174 0.096 1
1 239 . 12 1 1 A 17 17 MET CB C 17 31.784 32.294 -0.510 1
1 241 . 12 1 1 A 17 17 MET N N 17 119.240 120.526 -1.286 1
1 242 . 12 1 1 A 18 18 ARG H H 18 7.406 7.899 -0.493 1
1 243 . 12 1 1 A 18 18 ARG HA H 18 3.957 3.920 0.037 1
1 250 . 12 1 1 A 18 18 ARG C C 18 177.691 177.305 0.386 1
1 251 . 12 1 1 A 18 18 ARG CA C 18 58.301 58.234 0.067 1
1 252 . 12 1 1 A 18 18 ARG CB C 18 30.842 29.871 0.971 1
1 255 . 12 1 1 A 18 18 ARG N N 18 117.487 120.730 -3.243 1
1 256 . 12 1 1 A 19 19 TYR H H 19 8.571 7.477 1.094 1
1 257 . 12 1 1 A 19 19 TYR HA H 19 4.490 4.484 0.006 1
1 264 . 12 1 1 A 19 19 TYR C C 19 176.706 175.984 0.722 1
1 265 . 12 1 1 A 19 19 TYR CA C 19 58.739 57.693 1.046 1
1 266 . 12 1 1 A 19 19 TYR CB C 19 39.044 38.558 0.486 1
1 271 . 12 1 1 A 19 19 TYR N N 19 115.284 115.500 -0.216 1
1 272 . 12 1 1 A 20 20 GLY H H 20 8.148 9.414 -1.266 1
1 273 . 12 1 1 A 20 20 GLY HA2 H 20 3.609 3.876 -0.267 1
1 274 . 12 1 1 A 20 20 GLY HA3 H 20 4.137 3.907 0.230 1
1 275 . 12 1 1 A 20 20 GLY C C 20 171.784 173.745 -1.961 1
1 276 . 12 1 1 A 20 20 GLY CA C 20 43.972 46.450 -2.478 1
1 277 . 12 1 1 A 20 20 GLY N N 20 110.830 108.615 2.215 1
1 278 . 12 1 1 A 21 21 ALA H H 21 7.886 7.649 0.237 1
1 279 . 12 1 1 A 21 21 ALA HA H 21 3.400 3.954 -0.554 1
1 283 . 12 1 1 A 21 21 ALA C C 21 176.002 176.863 -0.861 1
1 284 . 12 1 1 A 21 21 ALA CA C 21 49.825 51.042 -1.217 1
1 285 . 12 1 1 A 21 21 ALA CB C 21 17.960 18.220 -0.260 1
1 286 . 12 1 1 A 21 21 ALA N N 21 119.337 121.995 -2.658 1
1 287 . 12 1 1 A 22 22 LYS H H 22 7.424 7.684 -0.260 1
1 288 . 12 1 1 A 22 22 LYS HA H 22 4.258 4.603 -0.345 1
1 297 . 12 1 1 A 22 22 LYS C C 22 175.769 176.250 -0.481 1
1 298 . 12 1 1 A 22 22 LYS CA C 22 55.921 56.603 -0.682 1
1 299 . 12 1 1 A 22 22 LYS CB C 22 33.371 34.851 -1.480 1
1 303 . 12 1 1 A 22 22 LYS N N 22 115.793 114.667 1.126 1
1 304 . 12 1 1 A 23 23 ASP H H 23 7.724 7.561 0.163 1
1 305 . 12 1 1 A 23 23 ASP HA H 23 4.700 4.931 -0.231 1
1 308 . 12 1 1 A 23 23 ASP C C 23 176.142 176.204 -0.062 1
1 309 . 12 1 1 A 23 23 ASP CA C 23 51.704 53.035 -1.331 1
1 310 . 12 1 1 A 23 23 ASP CB C 23 39.514 40.569 -1.055 1
1 311 . 12 1 1 A 23 23 ASP N N 23 119.398 118.570 0.828 1
1 312 . 12 1 1 A 24 24 TRP H H 24 8.035 7.737 0.298 1
1 313 . 12 1 1 A 24 24 TRP HA H 24 4.258 4.317 -0.059 1
1 322 . 12 1 1 A 24 24 TRP C C 24 178.252 177.976 0.276 1
1 323 . 12 1 1 A 24 24 TRP CA C 24 58.736 59.620 -0.884 1
1 324 . 12 1 1 A 24 24 TRP CB C 24 28.970 28.311 0.659 1
1 330 . 12 1 1 A 24 24 TRP N N 24 123.130 120.300 2.830 1
1 332 . 12 1 1 A 25 25 ILE H H 25 8.092 7.698 0.394 1
1 333 . 12 1 1 A 25 25 ILE HA H 25 3.724 3.815 -0.091 1
1 343 . 12 1 1 A 25 25 ILE C C 25 177.806 178.092 -0.286 1
1 344 . 12 1 1 A 25 25 ILE CA C 25 65.060 64.906 0.154 1
1 345 . 12 1 1 A 25 25 ILE CB C 25 36.234 37.449 -1.215 1
1 349 . 12 1 1 A 25 25 ILE N N 25 121.518 115.599 5.919 1
1 350 . 12 1 1 A 26 26 ARG H H 26 7.503 7.802 -0.299 1
1 351 . 12 1 1 A 26 26 ARG HA H 26 3.864 3.927 -0.063 1
1 358 . 12 1 1 A 26 26 ARG C C 26 178.303 178.143 0.160 1
1 359 . 12 1 1 A 26 26 ARG CA C 26 58.267 59.374 -1.107 1
1 360 . 12 1 1 A 26 26 ARG CB C 26 29.680 30.298 -0.618 1
1 363 . 12 1 1 A 26 26 ARG N N 26 122.119 120.872 1.247 1
1 364 . 12 1 1 A 27 27 ILE H H 27 7.340 7.626 -0.286 1
1 365 . 12 1 1 A 27 27 ILE HA H 27 3.450 3.699 -0.249 1
1 375 . 12 1 1 A 27 27 ILE C C 27 177.689 178.446 -0.757 1
1 376 . 12 1 1 A 27 27 ILE CA C 27 63.893 65.122 -1.229 1
1 377 . 12 1 1 A 27 27 ILE CB C 27 36.474 37.209 -0.735 1
1 381 . 12 1 1 A 27 27 ILE N N 27 115.446 120.563 -5.117 1
1 382 . 12 1 1 A 28 28 SER H H 28 8.203 7.831 0.372 1
1 383 . 12 1 1 A 28 28 SER HA H 28 4.144 4.237 -0.093 1
1 386 . 12 1 1 A 28 28 SER C C 28 177.220 176.975 0.245 1
1 387 . 12 1 1 A 28 28 SER CA C 28 61.085 61.445 -0.360 1
1 388 . 12 1 1 A 28 28 SER CB C 28 63.421 63.058 0.363 1
1 389 . 12 1 1 A 28 28 SER N N 28 113.324 116.713 -3.389 1
1 390 . 12 1 1 A 29 29 GLN H H 29 8.177 7.602 0.575 1
1 391 . 12 1 1 A 29 29 GLN HA H 29 4.003 4.039 -0.036 1
1 398 . 12 1 1 A 29 29 GLN C C 29 178.910 178.750 0.160 1
1 399 . 12 1 1 A 29 29 GLN CA C 29 58.503 58.916 -0.413 1
1 400 . 12 1 1 A 29 29 GLN CB C 29 27.796 28.117 -0.321 1
1 402 . 12 1 1 A 29 29 GLN N N 29 120.561 121.549 -0.988 1
1 404 . 12 1 1 A 30 30 LEU H H 30 7.494 7.576 -0.082 1
1 405 . 12 1 1 A 30 30 LEU HA H 30 4.258 4.002 0.256 1
1 415 . 12 1 1 A 30 30 LEU C C 30 178.956 177.329 1.627 1
1 416 . 12 1 1 A 30 30 LEU CA C 30 55.675 57.635 -1.960 1
1 417 . 12 1 1 A 30 30 LEU CB C 30 42.559 41.649 0.910 1
1 421 . 12 1 1 A 30 30 LEU N N 30 118.106 120.203 -2.097 1
1 422 . 12 1 1 A 31 31 MET H H 31 8.399 7.204 1.195 1
1 423 . 12 1 1 A 31 31 MET HA H 31 4.329 4.842 -0.513 1
1 428 . 12 1 1 A 31 31 MET C C 31 179.515 175.586 3.929 1
1 429 . 12 1 1 A 31 31 MET CA C 31 55.921 54.015 1.906 1
1 430 . 12 1 1 A 31 31 MET CB C 31 31.310 32.425 -1.115 1
1 432 . 12 1 1 A 31 31 MET N N 31 120.008 115.981 4.027 1
1 433 . 12 1 1 A 32 32 ILE H H 32 8.177 8.077 0.100 1
1 434 . 12 1 1 A 32 32 ILE HA H 32 3.423 4.064 -0.641 1
1 444 . 12 1 1 A 32 32 ILE C C 32 179.473 177.341 2.132 1
1 445 . 12 1 1 A 32 32 ILE CA C 32 67.639 63.426 4.213 1
1 446 . 12 1 1 A 32 32 ILE CB C 32 35.767 37.694 -1.927 1
1 450 . 12 1 1 A 32 32 ILE N N 32 114.338 119.447 -5.109 1
1 451 . 12 1 1 A 33 33 THR H H 33 8.957 7.644 1.313 1
1 452 . 12 1 1 A 33 33 THR HA H 33 4.143 4.209 -0.066 1
1 457 . 12 1 1 A 33 33 THR C C 33 174.361 173.639 0.722 1
1 458 . 12 1 1 A 33 33 THR CA C 33 62.251 63.175 -0.924 1
1 459 . 12 1 1 A 33 33 THR CB C 33 68.581 69.134 -0.553 1
1 461 . 12 1 1 A 33 33 THR N N 33 110.164 112.745 -2.581 1
1 462 . 12 1 1 A 34 34 ARG H H 34 6.509 7.567 -1.058 1
1 463 . 12 1 1 A 34 34 ARG HA H 34 4.862 4.883 -0.021 1
1 470 . 12 1 1 A 34 34 ARG C C 34 174.922 174.843 0.079 1
1 471 . 12 1 1 A 34 34 ARG CA C 34 51.939 54.647 -2.708 1
1 472 . 12 1 1 A 34 34 ARG CB C 34 36.061 33.520 2.541 1
1 475 . 12 1 1 A 34 34 ARG N N 34 116.058 119.087 -3.029 1
1 476 . 12 1 1 A 35 35 ASN H H 35 8.733 8.773 -0.040 1
1 477 . 12 1 1 A 35 35 ASN HA H 35 4.810 4.878 -0.068 1
1 482 . 12 1 1 A 35 35 ASN C C 35 173.986 175.629 -1.643 1
1 483 . 12 1 1 A 35 35 ASN CA C 35 52.107 51.902 0.205 1
1 484 . 12 1 1 A 35 35 ASN CB C 35 36.636 37.901 -1.265 1
1 485 . 12 1 1 A 35 35 ASN N N 35 122.840 120.401 2.439 1
1 487 . 12 1 1 A 36 36 PRO HA H 36 4.197 4.615 -0.418 1
1 494 . 12 1 1 A 36 36 PRO C C 36 178.019 178.749 -0.730 1
1 495 . 12 1 1 A 36 36 PRO CA C 36 67.412 65.712 1.700 1
1 496 . 12 1 1 A 36 36 PRO CB C 36 32.018 31.922 0.096 1
1 499 . 12 1 1 A 37 37 ARG H H 37 7.804 8.441 -0.637 1
1 500 . 12 1 1 A 37 37 ARG HA H 37 3.749 3.898 -0.149 1
1 507 . 12 1 1 A 37 37 ARG C C 37 178.300 178.867 -0.567 1
1 508 . 12 1 1 A 37 37 ARG CA C 37 59.202 58.884 0.318 1
1 509 . 12 1 1 A 37 37 ARG CB C 37 29.435 29.506 -0.071 1
1 512 . 12 1 1 A 37 37 ARG N N 37 117.759 117.955 -0.196 1
1 513 . 12 1 1 A 38 38 GLN H H 38 8.682 8.339 0.343 1
1 514 . 12 1 1 A 38 38 GLN HA H 38 4.043 4.204 -0.161 1
1 521 . 12 1 1 A 38 38 GLN C C 38 180.078 177.388 2.690 1
1 522 . 12 1 1 A 38 38 GLN CA C 38 58.506 58.628 -0.122 1
1 523 . 12 1 1 A 38 38 GLN CB C 38 29.431 28.794 0.637 1
1 525 . 12 1 1 A 38 38 GLN N N 38 117.504 117.839 -0.335 1
1 527 . 12 1 1 A 39 39 CYS H H 39 8.095 7.684 0.411 1
1 528 . 12 1 1 A 39 39 CYS HA H 39 4.059 4.549 -0.490 1
1 531 . 12 1 1 A 39 39 CYS C C 39 173.893 177.437 -3.544 1
1 532 . 12 1 1 A 39 39 CYS CA C 39 64.592 60.974 3.618 1
1 533 . 12 1 1 A 39 39 CYS CB C 39 27.328 27.957 -0.629 1
1 534 . 12 1 1 A 39 39 CYS N N 39 116.291 118.644 -2.353 1
1 535 . 12 1 1 A 40 40 ARG H H 40 7.589 7.705 -0.116 1
1 536 . 12 1 1 A 40 40 ARG HA H 40 1.821 2.840 -1.019 1
1 543 . 12 1 1 A 40 40 ARG C C 40 178.204 178.432 -0.228 1
1 544 . 12 1 1 A 40 40 ARG CA C 40 58.264 58.348 -0.084 1
1 545 . 12 1 1 A 40 40 ARG CB C 40 29.440 29.202 0.238 1
1 548 . 12 1 1 A 40 40 ARG N N 40 121.272 121.195 0.077 1
1 549 . 12 1 1 A 41 41 GLU H H 41 8.352 8.064 0.288 1
1 550 . 12 1 1 A 41 41 GLU HA H 41 3.817 4.031 -0.214 1
1 555 . 12 1 1 A 41 41 GLU C C 41 178.718 178.402 0.316 1
1 556 . 12 1 1 A 41 41 GLU CA C 41 58.971 58.777 0.194 1
1 557 . 12 1 1 A 41 41 GLU CB C 41 28.972 28.150 0.822 1
1 559 . 12 1 1 A 41 41 GLU N N 41 117.034 116.737 0.297 1
1 560 . 12 1 1 A 42 42 ARG H H 42 7.755 7.950 -0.195 1
1 561 . 12 1 1 A 42 42 ARG HA H 42 3.931 4.230 -0.299 1
1 568 . 12 1 1 A 42 42 ARG C C 42 179.333 178.425 0.908 1
1 569 . 12 1 1 A 42 42 ARG CA C 42 57.261 59.000 -1.739 1
1 570 . 12 1 1 A 42 42 ARG CB C 42 29.610 30.431 -0.821 1
1 573 . 12 1 1 A 42 42 ARG N N 42 119.603 119.579 0.024 1
1 574 . 12 1 1 A 43 43 TRP H H 43 8.199 7.918 0.281 1
1 575 . 12 1 1 A 43 43 TRP HA H 43 4.292 4.387 -0.095 1
1 579 . 12 1 1 A 43 43 TRP C C 43 176.705 178.636 -1.931 1
1 580 . 12 1 1 A 43 43 TRP CA C 43 57.006 61.354 -4.348 1
1 581 . 12 1 1 A 43 43 TRP CB C 43 29.620 29.781 -0.161 1
1 582 . 12 1 1 A 43 43 TRP N N 43 119.355 121.797 -2.442 1
1 584 . 12 1 1 A 44 44 ASN H H 44 8.478 8.451 0.027 1
1 585 . 12 1 1 A 44 44 ASN HA H 44 4.177 4.285 -0.108 1
1 590 . 12 1 1 A 44 44 ASN C C 44 176.986 176.568 0.418 1
1 591 . 12 1 1 A 44 44 ASN CA C 44 55.457 55.486 -0.029 1
1 592 . 12 1 1 A 44 44 ASN CB C 44 38.347 37.414 0.933 1
1 593 . 12 1 1 A 44 44 ASN N N 44 113.530 117.100 -3.570 1
1 595 . 12 1 1 A 45 45 ASN H H 45 8.060 7.888 0.172 1
1 596 . 12 1 1 A 45 45 ASN HA H 45 4.630 4.776 -0.146 1
1 601 . 12 1 1 A 45 45 ASN C C 45 175.347 175.010 0.337 1
1 602 . 12 1 1 A 45 45 ASN CA C 45 53.350 53.615 -0.265 1
1 603 . 12 1 1 A 45 45 ASN CB C 45 39.047 39.332 -0.285 1
1 604 . 12 1 1 A 45 45 ASN N N 45 112.540 116.540 -4.000 1
1 606 . 12 1 1 A 46 46 TYR H H 46 7.443 7.977 -0.534 1
1 607 . 12 1 1 A 46 46 TYR HA H 46 4.447 5.137 -0.690 1
1 614 . 12 1 1 A 46 46 TYR C C 46 175.439 175.090 0.349 1
1 615 . 12 1 1 A 46 46 TYR CA C 46 60.074 59.212 0.862 1
1 616 . 12 1 1 A 46 46 TYR CB C 46 40.383 40.558 -0.175 1
1 621 . 12 1 1 A 46 46 TYR N N 46 117.403 118.733 -1.330 1
1 622 . 12 1 1 A 47 47 ILE HA H 47 3.786 4.720 -0.934 1
1 632 . 12 1 1 A 47 47 ILE C C 47 175.440 174.370 1.070 1
1 633 . 12 1 1 A 47 47 ILE CA C 47 62.240 59.302 2.938 1
1 634 . 12 1 1 A 47 47 ILE CB C 47 38.670 41.086 -2.416 1
1 638 . 12 1 1 A 48 48 ASN H H 48 7.922 8.807 -0.885 1
1 639 . 12 1 1 A 48 48 ASN HA H 48 3.795 4.648 -0.853 1
1 642 . 12 1 1 A 48 48 ASN C C 48 174.640 174.624 0.016 1
1 643 . 12 1 1 A 48 48 ASN N N 48 119.990 120.309 -0.319 1
1 645 . 12 1 1 A 49 49 PRO HA H 49 4.166 4.231 -0.065 1
1 652 . 12 1 1 A 49 49 PRO C C 49 177.408 177.071 0.337 1
1 653 . 12 1 1 A 49 49 PRO CA C 49 64.124 65.762 -1.638 1
1 654 . 12 1 1 A 49 49 PRO CB C 49 31.313 31.354 -0.041 1
1 657 . 12 1 1 A 50 50 ALA H H 50 7.595 7.763 -0.168 1
1 658 . 12 1 1 A 50 50 ALA HA H 50 4.128 4.515 -0.387 1
1 662 . 12 1 1 A 50 50 ALA C C 50 178.251 177.298 0.953 1
1 663 . 12 1 1 A 50 50 ALA CA C 50 52.642 51.387 1.255 1
1 664 . 12 1 1 A 50 50 ALA CB C 50 18.422 18.784 -0.362 1
1 665 . 12 1 1 A 50 50 ALA N N 50 120.036 117.824 2.212 1
1 666 . 12 1 1 A 51 51 LEU H H 51 7.586 8.312 -0.726 1
1 667 . 12 1 1 A 51 51 LEU HA H 51 4.119 4.045 0.074 1
1 677 . 12 1 1 A 51 51 LEU C C 51 177.686 178.647 -0.961 1
1 678 . 12 1 1 A 51 51 LEU CA C 51 55.219 57.427 -2.208 1
1 679 . 12 1 1 A 51 51 LEU CB C 51 41.883 41.380 0.503 1
1 683 . 12 1 1 A 51 51 LEU N N 51 118.197 122.820 -4.623 1
1 684 . 12 1 1 A 52 52 ARG H H 52 8.013 7.831 0.182 1
1 685 . 12 1 1 A 52 52 ARG HA H 52 4.334 4.103 0.231 1
1 692 . 12 1 1 A 52 52 ARG C C 52 176.658 176.834 -0.176 1
1 693 . 12 1 1 A 52 52 ARG CA C 52 55.923 59.148 -3.225 1
1 694 . 12 1 1 A 52 52 ARG CB C 52 31.086 30.518 0.568 1
1 697 . 12 1 1 A 52 52 ARG N N 52 119.899 118.499 1.400 1
1 698 . 12 1 1 A 53 53 THR H H 53 8.187 7.555 0.632 1
1 699 . 12 1 1 A 53 53 THR HA H 53 4.345 4.479 -0.134 1
1 704 . 12 1 1 A 53 53 THR C C 53 173.892 172.305 1.587 1
1 705 . 12 1 1 A 53 53 THR CA C 53 60.611 61.683 -1.072 1
1 706 . 12 1 1 A 53 53 THR CB C 53 69.514 68.832 0.682 1
1 708 . 12 1 1 A 53 53 THR N N 53 113.907 111.287 2.620 1
1 709 . 12 1 1 A 54 54 ASP H H 54 8.430 8.471 -0.041 1
1 710 . 12 1 1 A 54 54 ASP HA H 54 4.810 5.212 -0.402 1
1 713 . 12 1 1 A 54 54 ASP C C 54 174.082 173.139 0.943 1
1 714 . 12 1 1 A 54 54 ASP CA C 54 52.578 51.622 0.956 1
1 715 . 12 1 1 A 54 54 ASP CB C 54 39.685 41.834 -2.149 1
1 716 . 12 1 1 A 54 54 ASP N N 54 123.174 126.409 -3.235 1
1 717 . 12 1 1 A 55 55 PRO HA H 55 4.561 4.572 -0.011 1
1 724 . 12 1 1 A 55 55 PRO C C 55 177.127 176.733 0.394 1
1 725 . 12 1 1 A 55 55 PRO CA C 55 62.958 62.358 0.600 1
1 726 . 12 1 1 A 55 55 PRO CB C 55 32.013 32.171 -0.158 1
1 729 . 12 1 1 A 56 56 TRP H H 56 8.721 7.595 1.126 1
1 730 . 12 1 1 A 56 56 TRP HA H 56 4.351 4.931 -0.580 1
1 739 . 12 1 1 A 56 56 TRP C C 56 177.127 175.395 1.732 1
1 740 . 12 1 1 A 56 56 TRP CA C 56 57.796 56.365 1.431 1
1 741 . 12 1 1 A 56 56 TRP CB C 56 28.732 31.161 -2.429 1
1 747 . 12 1 1 A 56 56 TRP N N 56 124.713 120.443 4.270 1
1 749 . 12 1 1 A 57 57 SER H H 57 9.085 8.862 0.223 1
1 750 . 12 1 1 A 57 57 SER HA H 57 4.957 5.107 -0.150 1
1 753 . 12 1 1 A 57 57 SER C C 57 173.562 174.858 -1.296 1
1 754 . 12 1 1 A 57 57 SER CA C 57 55.852 55.818 0.034 1
1 755 . 12 1 1 A 57 57 SER CB C 57 63.824 66.062 -2.238 1
1 756 . 12 1 1 A 57 57 SER N N 57 122.041 111.994 10.047 1
1 757 . 12 1 1 A 58 58 PRO HA H 58 4.444 4.334 0.110 1
1 764 . 12 1 1 A 58 58 PRO C C 58 179.777 178.869 0.908 1
1 765 . 12 1 1 A 58 58 PRO CA C 58 65.071 65.207 -0.136 1
1 766 . 12 1 1 A 58 58 PRO CB C 58 31.546 31.923 -0.377 1
1 769 . 12 1 1 A 59 59 GLU H H 59 8.788 8.318 0.470 1
1 770 . 12 1 1 A 59 59 GLU HA H 59 4.088 4.092 -0.004 1
1 775 . 12 1 1 A 59 59 GLU C C 59 179.656 179.523 0.133 1
1 776 . 12 1 1 A 59 59 GLU CA C 59 60.373 60.168 0.205 1
1 777 . 12 1 1 A 59 59 GLU CB C 59 28.505 29.144 -0.639 1
1 779 . 12 1 1 A 59 59 GLU N N 59 117.546 117.476 0.070 1
1 780 . 12 1 1 A 60 60 GLU H H 60 7.977 8.289 -0.312 1
1 781 . 12 1 1 A 60 60 GLU HA H 60 4.015 4.013 0.002 1
1 786 . 12 1 1 A 60 60 GLU C C 60 178.440 178.783 -0.343 1
1 787 . 12 1 1 A 60 60 GLU CA C 60 59.913 59.165 0.748 1
1 788 . 12 1 1 A 60 60 GLU CB C 60 31.541 28.657 2.884 1
1 790 . 12 1 1 A 60 60 GLU N N 60 122.264 120.127 2.137 1
1 791 . 12 1 1 A 61 61 ASP H H 61 8.267 8.108 0.159 1
1 792 . 12 1 1 A 61 61 ASP HA H 61 4.654 4.384 0.270 1
1 795 . 12 1 1 A 61 61 ASP C C 61 179.469 178.617 0.852 1
1 796 . 12 1 1 A 61 61 ASP CA C 61 57.562 57.825 -0.263 1
1 797 . 12 1 1 A 61 61 ASP CB C 61 39.987 41.726 -1.739 1
1 798 . 12 1 1 A 61 61 ASP N N 61 120.543 119.890 0.653 1
1 799 . 12 1 1 A 62 62 MET H H 62 8.139 8.641 -0.502 1
1 800 . 12 1 1 A 62 62 MET HA H 62 4.284 4.258 0.026 1
1 805 . 12 1 1 A 62 62 MET C C 62 178.811 178.800 0.011 1
1 806 . 12 1 1 A 62 62 MET CA C 62 58.505 58.729 -0.224 1
1 807 . 12 1 1 A 62 62 MET CB C 62 32.251 33.087 -0.836 1
1 809 . 12 1 1 A 62 62 MET N N 62 119.343 118.101 1.242 1
1 810 . 12 1 1 A 63 63 LEU H H 63 7.959 8.208 -0.249 1
1 811 . 12 1 1 A 63 63 LEU HA H 63 4.212 4.011 0.201 1
1 821 . 12 1 1 A 63 63 LEU C C 63 177.642 179.363 -1.721 1
1 822 . 12 1 1 A 63 63 LEU CA C 63 57.562 57.309 0.253 1
1 823 . 12 1 1 A 63 63 LEU CB C 63 42.096 41.647 0.449 1
1 827 . 12 1 1 A 63 63 LEU N N 63 122.676 120.476 2.200 1
1 828 . 12 1 1 A 64 64 LEU H H 64 8.784 8.219 0.565 1
1 829 . 12 1 1 A 64 64 LEU HA H 64 4.119 3.991 0.128 1
1 839 . 12 1 1 A 64 64 LEU C C 64 177.515 177.899 -0.384 1
1 840 . 12 1 1 A 64 64 LEU CA C 64 58.738 57.993 0.745 1
1 841 . 12 1 1 A 64 64 LEU CB C 64 41.395 41.537 -0.142 1
1 845 . 12 1 1 A 64 64 LEU N N 64 120.877 118.689 2.188 1
1 846 . 12 1 1 A 65 65 ASP H H 65 8.085 8.131 -0.046 1
1 847 . 12 1 1 A 65 65 ASP HA H 65 4.630 4.397 0.233 1
1 850 . 12 1 1 A 65 65 ASP C C 65 179.391 178.260 1.131 1
1 851 . 12 1 1 A 65 65 ASP CA C 65 57.566 57.620 -0.054 1
1 852 . 12 1 1 A 65 65 ASP CB C 65 41.626 42.134 -0.508 1
1 853 . 12 1 1 A 65 65 ASP N N 65 118.583 119.104 -0.521 1
1 854 . 12 1 1 A 66 66 GLN H H 66 8.336 7.879 0.457 1
1 855 . 12 1 1 A 66 66 GLN HA H 66 4.050 4.158 -0.108 1
1 862 . 12 1 1 A 66 66 GLN C C 66 179.565 178.487 1.078 1
1 863 . 12 1 1 A 66 66 GLN CA C 66 58.739 58.356 0.383 1
1 864 . 12 1 1 A 66 66 GLN CB C 66 28.502 28.516 -0.014 1
1 866 . 12 1 1 A 66 66 GLN N N 66 118.725 117.793 0.932 1
1 868 . 12 1 1 A 67 67 LYS H H 67 9.126 7.973 1.153 1
1 869 . 12 1 1 A 67 67 LYS HA H 67 4.142 4.126 0.016 1
1 878 . 12 1 1 A 67 67 LYS C C 67 178.671 178.757 -0.086 1
1 879 . 12 1 1 A 67 67 LYS CA C 67 56.156 58.940 -2.784 1
1 880 . 12 1 1 A 67 67 LYS CB C 67 31.550 32.575 -1.025 1
1 884 . 12 1 1 A 67 67 LYS N N 67 117.220 120.029 -2.809 1
1 885 . 12 1 1 A 68 68 TYR H H 68 9.361 8.684 0.677 1
1 886 . 12 1 1 A 68 68 TYR HA H 68 3.819 4.046 -0.227 1
1 893 . 12 1 1 A 68 68 TYR C C 68 179.235 177.526 1.709 1
1 894 . 12 1 1 A 68 68 TYR CA C 68 61.547 61.842 -0.295 1
1 895 . 12 1 1 A 68 68 TYR CB C 68 37.881 38.710 -0.829 1
1 900 . 12 1 1 A 68 68 TYR N N 68 123.884 120.776 3.108 1
1 901 . 12 1 1 A 69 69 ALA H H 69 7.810 7.938 -0.128 1
1 902 . 12 1 1 A 69 69 ALA HA H 69 3.980 3.978 0.002 1
1 906 . 12 1 1 A 69 69 ALA C C 69 178.673 179.091 -0.418 1
1 907 . 12 1 1 A 69 69 ALA CA C 69 54.755 55.185 -0.430 1
1 908 . 12 1 1 A 69 69 ALA CB C 69 17.253 18.565 -1.312 1
1 909 . 12 1 1 A 69 69 ALA N N 69 121.733 121.609 0.124 1
1 910 . 12 1 1 A 70 70 GLU H H 70 7.091 7.714 -0.623 1
1 911 . 12 1 1 A 70 70 GLU HA H 70 3.848 4.086 -0.238 1
1 916 . 12 1 1 A 70 70 GLU C C 70 178.018 177.806 0.212 1
1 917 . 12 1 1 A 70 70 GLU CA C 70 58.566 58.227 0.339 1
1 918 . 12 1 1 A 70 70 GLU CB C 70 30.609 30.418 0.191 1
1 920 . 12 1 1 A 70 70 GLU N N 70 115.850 117.089 -1.239 1
1 921 . 12 1 1 A 71 71 TYR H H 71 8.270 8.387 -0.117 1
1 922 . 12 1 1 A 71 71 TYR HA H 71 4.537 4.275 0.262 1
1 929 . 12 1 1 A 71 71 TYR C C 71 177.174 176.310 0.864 1
1 930 . 12 1 1 A 71 71 TYR CA C 71 57.796 59.824 -2.028 1
1 931 . 12 1 1 A 71 71 TYR CB C 71 40.219 38.671 1.548 1
1 936 . 12 1 1 A 71 71 TYR N N 71 114.509 116.857 -2.348 1
1 937 . 12 1 1 A 72 72 GLY H H 72 8.417 7.697 0.720 1
1 938 . 12 1 1 A 72 72 GLY HA2 H 72 3.720 2.976 0.744 1
1 939 . 12 1 1 A 72 72 GLY HA3 H 72 2.255 3.654 -1.399 1
1 940 . 12 1 1 A 72 72 GLY C C 72 172.111 174.341 -2.230 1
1 941 . 12 1 1 A 72 72 GLY CA C 72 43.439 43.848 -0.409 1
1 942 . 12 1 1 A 72 72 GLY N N 72 111.509 106.494 5.015 1
1 943 . 12 1 1 A 73 73 PRO HA H 73 2.587 2.936 -0.349 1
1 950 . 12 1 1 A 73 73 PRO C C 73 175.393 175.097 0.296 1
1 951 . 12 1 1 A 73 73 PRO CA C 73 62.018 62.929 -0.911 1
1 952 . 12 1 1 A 73 73 PRO CB C 73 28.033 31.101 -3.068 1
1 955 . 12 1 1 A 74 74 LYS H H 74 8.065 8.169 -0.104 1
1 956 . 12 1 1 A 74 74 LYS HA H 74 4.259 4.297 -0.038 1
1 965 . 12 1 1 A 74 74 LYS C C 74 177.220 176.370 0.850 1
1 966 . 12 1 1 A 74 74 LYS CA C 74 52.641 54.604 -1.963 1
1 967 . 12 1 1 A 74 74 LYS CB C 74 30.145 30.182 -0.037 1
1 971 . 12 1 1 A 74 74 LYS N N 74 125.996 118.798 7.198 1
1 972 . 12 1 1 A 75 75 TRP H H 75 6.735 6.782 -0.047 1
1 973 . 12 1 1 A 75 75 TRP HA H 75 4.305 4.394 -0.089 1
1 982 . 12 1 1 A 75 75 TRP C C 75 177.174 178.331 -1.157 1
1 983 . 12 1 1 A 75 75 TRP CA C 75 58.969 59.998 -1.029 1
1 984 . 12 1 1 A 75 75 TRP CB C 75 29.668 28.462 1.206 1
1 990 . 12 1 1 A 75 75 TRP N N 75 122.056 121.305 0.751 1
1 992 . 12 1 1 A 76 76 ASN H H 76 8.732 8.345 0.387 1
1 993 . 12 1 1 A 76 76 ASN HA H 76 4.606 4.466 0.140 1
1 998 . 12 1 1 A 76 76 ASN C C 76 177.830 176.888 0.942 1
1 999 . 12 1 1 A 76 76 ASN CA C 76 55.925 56.395 -0.470 1
1 1000 . 12 1 1 A 76 76 ASN CB C 76 37.876 38.636 -0.760 1
1 1001 . 12 1 1 A 76 76 ASN N N 76 114.266 119.930 -5.664 1
1 1003 . 12 1 1 A 77 77 LYS H H 77 7.401 7.907 -0.506 1
1 1004 . 12 1 1 A 77 77 LYS HA H 77 3.979 4.016 -0.037 1
1 1013 . 12 1 1 A 77 77 LYS C C 77 178.859 179.159 -0.300 1
1 1014 . 12 1 1 A 77 77 LYS CA C 77 57.800 58.478 -0.678 1
1 1015 . 12 1 1 A 77 77 LYS CB C 77 31.545 32.497 -0.952 1
1 1019 . 12 1 1 A 77 77 LYS N N 77 120.857 118.454 2.403 1
1 1020 . 12 1 1 A 78 78 ILE H H 78 7.754 7.636 0.118 1
1 1021 . 12 1 1 A 78 78 ILE HA H 78 3.679 3.631 0.048 1
1 1031 . 12 1 1 A 78 78 ILE C C 78 178.202 177.897 0.305 1
1 1032 . 12 1 1 A 78 78 ILE CA C 78 65.997 65.482 0.515 1
1 1033 . 12 1 1 A 78 78 ILE CB C 78 38.343 38.042 0.301 1
1 1037 . 12 1 1 A 78 78 ILE N N 78 118.290 121.245 -2.955 1
1 1038 . 12 1 1 A 79 79 SER H H 79 8.386 8.595 -0.209 1
1 1039 . 12 1 1 A 79 79 SER HA H 79 4.049 4.247 -0.198 1
1 1042 . 12 1 1 A 79 79 SER C C 79 175.627 176.204 -0.577 1
1 1043 . 12 1 1 A 79 79 SER CA C 79 61.084 61.568 -0.484 1
1 1044 . 12 1 1 A 79 79 SER CB C 79 62.720 62.655 0.065 1
1 1045 . 12 1 1 A 79 79 SER N N 79 114.363 115.210 -0.847 1
1 1046 . 12 1 1 A 80 80 LYS H H 80 7.017 8.210 -1.193 1
1 1047 . 12 1 1 A 80 80 LYS HA H 80 4.005 4.113 -0.108 1
1 1056 . 12 1 1 A 80 80 LYS C C 80 177.361 177.577 -0.216 1
1 1057 . 12 1 1 A 80 80 LYS CA C 80 57.098 58.268 -1.170 1
1 1058 . 12 1 1 A 80 80 LYS CB C 80 31.083 31.747 -0.664 1
1 1062 . 12 1 1 A 80 80 LYS N N 80 118.534 121.689 -3.155 1
1 1063 . 12 1 1 A 81 81 PHE H H 81 7.932 8.353 -0.421 1
1 1064 . 12 1 1 A 81 81 PHE HA H 81 4.467 4.468 -0.001 1
1 1071 . 12 1 1 A 81 81 PHE C C 81 174.969 177.121 -2.152 1
1 1072 . 12 1 1 A 81 81 PHE CA C 81 58.500 60.496 -1.996 1
1 1073 . 12 1 1 A 81 81 PHE CB C 81 39.516 38.123 1.393 1
1 1078 . 12 1 1 A 81 81 PHE N N 81 114.880 117.673 -2.793 1
1 1079 . 12 1 1 A 82 82 LEU H H 82 7.487 7.121 0.366 1
1 1080 . 12 1 1 A 82 82 LEU HA H 82 4.666 4.361 0.305 1
1 1090 . 12 1 1 A 82 82 LEU C C 82 175.107 177.432 -2.325 1
1 1091 . 12 1 1 A 82 82 LEU CA C 82 52.875 56.203 -3.328 1
1 1092 . 12 1 1 A 82 82 LEU CB C 82 42.802 42.273 0.529 1
1 1096 . 12 1 1 A 82 82 LEU N N 82 122.945 118.095 4.850 1
1 1097 . 12 1 1 A 83 83 LYS H H 83 8.256 8.073 0.183 1
1 1098 . 12 1 1 A 83 83 LYS HA H 83 4.120 3.967 0.153 1
1 1107 . 12 1 1 A 83 83 LYS C C 83 176.236 176.619 -0.383 1
1 1108 . 12 1 1 A 83 83 LYS CA C 83 56.630 57.665 -1.035 1
1 1109 . 12 1 1 A 83 83 LYS CB C 83 31.786 31.997 -0.211 1
1 1113 . 12 1 1 A 83 83 LYS N N 83 118.856 119.110 -0.254 1
1 1114 . 12 1 1 A 84 84 ASN H H 84 8.684 8.252 0.432 1
1 1115 . 12 1 1 A 84 84 ASN HA H 84 4.304 4.876 -0.572 1
1 1120 . 12 1 1 A 84 84 ASN C C 84 173.846 174.736 -0.890 1
1 1121 . 12 1 1 A 84 84 ASN CA C 84 53.816 53.242 0.574 1
1 1122 . 12 1 1 A 84 84 ASN CB C 84 37.176 40.424 -3.248 1
1 1123 . 12 1 1 A 84 84 ASN N N 84 116.099 116.396 -0.297 1
1 1125 . 12 1 1 A 85 85 ARG H H 85 7.665 7.709 -0.044 1
1 1126 . 12 1 1 A 85 85 ARG HA H 85 4.675 4.949 -0.274 1
1 1132 . 12 1 1 A 85 85 ARG C C 85 175.529 174.087 1.442 1
1 1133 . 12 1 1 A 85 85 ARG CA C 85 53.112 54.062 -0.950 1
1 1134 . 12 1 1 A 85 85 ARG CB C 85 31.783 33.873 -2.090 1
1 1137 . 12 1 1 A 85 85 ARG N N 85 116.162 118.197 -2.035 1
1 1139 . 12 1 1 A 86 86 SER H H 86 8.864 8.568 0.296 1
1 1140 . 12 1 1 A 86 86 SER HA H 86 4.488 4.871 -0.383 1
1 1143 . 12 1 1 A 86 86 SER C C 86 174.407 174.269 0.138 1
1 1144 . 12 1 1 A 86 86 SER CA C 86 57.093 55.970 1.123 1
1 1145 . 12 1 1 A 86 86 SER CB C 86 64.840 65.412 -0.572 1
1 1146 . 12 1 1 A 86 86 SER N N 86 119.204 114.356 4.848 1
1 1147 . 12 1 1 A 87 87 ASP H H 87 8.784 8.613 0.171 1
1 1148 . 12 1 1 A 87 87 ASP HA H 87 4.095 4.479 -0.384 1
1 1151 . 12 1 1 A 87 87 ASP C C 87 178.111 178.389 -0.278 1
1 1152 . 12 1 1 A 87 87 ASP CA C 87 57.801 56.394 1.407 1
1 1153 . 12 1 1 A 87 87 ASP CB C 87 39.056 39.842 -0.786 1
1 1154 . 12 1 1 A 87 87 ASP N N 87 121.415 123.488 -2.073 1
1 1155 . 12 1 1 A 88 88 ASN H H 88 8.491 7.641 0.850 1
1 1156 . 12 1 1 A 88 88 ASN HA H 88 4.166 4.386 -0.220 1
1 1161 . 12 1 1 A 88 88 ASN C C 88 176.842 177.431 -0.589 1
1 1162 . 12 1 1 A 88 88 ASN CA C 88 55.458 55.842 -0.384 1
1 1163 . 12 1 1 A 88 88 ASN CB C 88 38.103 38.125 -0.022 1
1 1164 . 12 1 1 A 88 88 ASN N N 88 115.811 118.933 -3.122 1
1 1166 . 12 1 1 A 89 89 ASN H H 89 7.959 7.790 0.169 1
1 1167 . 12 1 1 A 89 89 ASN HA H 89 4.422 4.474 -0.052 1
1 1172 . 12 1 1 A 89 89 ASN C C 89 178.159 177.850 0.309 1
1 1173 . 12 1 1 A 89 89 ASN CA C 89 56.632 55.699 0.933 1
1 1174 . 12 1 1 A 89 89 ASN CB C 89 39.749 38.441 1.308 1
1 1175 . 12 1 1 A 89 89 ASN N N 89 120.679 117.482 3.197 1
1 1177 . 12 1 1 A 90 90 ILE H H 90 8.373 7.951 0.422 1
1 1178 . 12 1 1 A 90 90 ILE HA H 90 3.840 4.031 -0.191 1
1 1188 . 12 1 1 A 90 90 ILE C C 90 176.191 177.640 -1.449 1
1 1189 . 12 1 1 A 90 90 ILE CA C 90 65.298 64.746 0.552 1
1 1190 . 12 1 1 A 90 90 ILE CB C 90 38.109 37.447 0.662 1
1 1194 . 12 1 1 A 90 90 ILE N N 90 120.840 119.765 1.075 1
1 1195 . 12 1 1 A 91 91 ARG H H 91 7.749 8.112 -0.363 1
1 1196 . 12 1 1 A 91 91 ARG HA H 91 2.077 3.281 -1.204 1
1 1203 . 12 1 1 A 91 91 ARG C C 91 178.063 178.033 0.030 1
1 1204 . 12 1 1 A 91 91 ARG CA C 91 58.500 58.930 -0.430 1
1 1205 . 12 1 1 A 91 91 ARG CB C 91 28.969 29.740 -0.771 1
1 1208 . 12 1 1 A 91 91 ARG N N 91 120.230 120.329 -0.099 1
1 1209 . 12 1 1 A 92 92 ASN H H 92 7.959 7.500 0.459 1
1 1210 . 12 1 1 A 92 92 ASN HA H 92 4.167 4.466 -0.299 1
1 1215 . 12 1 1 A 92 92 ASN C C 92 177.689 177.473 0.216 1
1 1216 . 12 1 1 A 92 92 ASN CA C 92 55.640 56.110 -0.470 1
1 1217 . 12 1 1 A 92 92 ASN CB C 92 37.644 38.734 -1.090 1
1 1218 . 12 1 1 A 92 92 ASN N N 92 115.405 117.867 -2.462 1
1 1220 . 12 1 1 A 93 93 ARG H H 93 7.872 8.670 -0.798 1
1 1221 . 12 1 1 A 93 93 ARG HA H 93 3.610 3.925 -0.315 1
1 1229 . 12 1 1 A 93 93 ARG C C 93 177.737 178.807 -1.070 1
1 1230 . 12 1 1 A 93 93 ARG CA C 93 57.263 58.880 -1.617 1
1 1231 . 12 1 1 A 93 93 ARG CB C 93 29.141 29.550 -0.409 1
1 1234 . 12 1 1 A 93 93 ARG N N 93 122.360 120.073 2.287 1
1 1236 . 12 1 1 A 94 94 TRP H H 94 8.411 8.803 -0.392 1
1 1237 . 12 1 1 A 94 94 TRP HA H 94 3.818 4.539 -0.721 1
1 1241 . 12 1 1 A 94 94 TRP N N 94 119.510 121.909 -2.399 1
1 1243 . 12 1 1 A 95 95 MET HA H 95 3.725 4.052 -0.327 1
1 1246 . 12 1 1 A 95 95 MET C C 95 178.580 178.259 0.321 1
1 1247 . 12 1 1 A 95 95 MET CA C 95 57.807 57.477 0.330 1
1 1248 . 12 1 1 A 95 95 MET CB C 95 32.023 31.309 0.714 1
1 1249 . 12 1 1 A 96 96 MET H H 96 7.580 7.479 0.101 1
1 1250 . 12 1 1 A 96 96 MET HA H 96 3.980 4.229 -0.249 1
1 1255 . 12 1 1 A 96 96 MET C C 96 178.344 178.020 0.324 1
1 1256 . 12 1 1 A 96 96 MET CA C 96 58.033 57.764 0.269 1
1 1257 . 12 1 1 A 96 96 MET CB C 96 31.783 32.318 -0.535 1
1 1259 . 12 1 1 A 96 96 MET N N 96 118.340 119.198 -0.858 1
1 1260 . 12 1 1 A 97 97 ILE H H 97 7.884 7.627 0.257 1
1 1261 . 12 1 1 A 97 97 ILE HA H 97 3.583 3.842 -0.259 1
1 1271 . 12 1 1 A 97 97 ILE C C 97 178.154 177.701 0.453 1
1 1272 . 12 1 1 A 97 97 ILE CA C 97 63.656 63.774 -0.118 1
1 1273 . 12 1 1 A 97 97 ILE CB C 97 37.637 36.861 0.776 1
1 1277 . 12 1 1 A 97 97 ILE N N 97 120.158 118.970 1.188 1
1 1278 . 12 1 1 A 98 98 ALA H H 98 8.064 8.396 -0.332 1
1 1279 . 12 1 1 A 98 98 ALA HA H 98 3.515 3.925 -0.410 1
1 1283 . 12 1 1 A 98 98 ALA C C 98 180.224 179.493 0.731 1
1 1284 . 12 1 1 A 98 98 ALA CA C 98 54.283 54.370 -0.087 1
1 1285 . 12 1 1 A 98 98 ALA CB C 98 17.251 17.721 -0.470 1
1 1286 . 12 1 1 A 98 98 ALA N N 98 123.446 123.487 -0.041 1
1 1287 . 12 1 1 A 99 99 ARG H H 99 7.623 7.921 -0.298 1
1 1288 . 12 1 1 A 99 99 ARG HA H 99 3.934 4.005 -0.071 1
1 1295 . 12 1 1 A 99 99 ARG C C 99 177.923 178.637 -0.714 1
1 1296 . 12 1 1 A 99 99 ARG CA C 99 57.968 58.636 -0.668 1
1 1297 . 12 1 1 A 99 99 ARG CB C 99 29.606 29.709 -0.103 1
1 1300 . 12 1 1 A 99 99 ARG N N 99 117.538 119.249 -1.711 1
1 1301 . 12 1 1 A 100 100 HIS H H 100 7.797 7.905 -0.108 1
1 1302 . 12 1 1 A 100 100 HIS HA H 100 4.409 4.232 0.177 1
1 1307 . 12 1 1 A 100 100 HIS C C 100 176.575 176.912 -0.337 1
1 1308 . 12 1 1 A 100 100 HIS CA C 100 57.109 59.115 -2.006 1
1 1309 . 12 1 1 A 100 100 HIS CB C 100 29.204 29.907 -0.703 1
1 1312 . 12 1 1 A 100 100 HIS N N 100 118.311 119.266 -0.955 1
1 1313 . 12 1 1 A 101 101 ARG H H 101 8.057 7.839 0.218 1
1 1314 . 12 1 1 A 101 101 ARG HA H 101 4.062 3.986 0.076 1
1 1321 . 12 1 1 A 101 101 ARG C C 101 177.220 178.220 -1.000 1
1 1322 . 12 1 1 A 101 101 ARG CA C 101 57.556 58.386 -0.830 1
1 1323 . 12 1 1 A 101 101 ARG CB C 101 30.157 30.139 0.018 1
1 1326 . 12 1 1 A 101 101 ARG N N 101 119.935 118.136 1.799 1
1 1327 . 12 1 1 A 102 102 ALA H H 102 7.917 7.721 0.196 1
1 1328 . 12 1 1 A 102 102 ALA HA H 102 4.167 4.258 -0.091 1
1 1332 . 12 1 1 A 102 102 ALA C C 102 178.532 178.649 -0.117 1
1 1333 . 12 1 1 A 102 102 ALA CA C 102 53.103 53.649 -0.546 1
1 1334 . 12 1 1 A 102 102 ALA CB C 102 18.447 18.438 0.009 1
1 1335 . 12 1 1 A 102 102 ALA N N 102 122.678 121.666 1.012 1
1 1336 . 12 1 1 A 103 103 LYS H H 103 7.884 7.445 0.439 1
1 1337 . 12 1 1 A 103 103 LYS HA H 103 4.121 4.198 -0.077 1
1 1346 . 12 1 1 A 103 103 LYS C C 103 177.080 175.711 1.369 1
1 1347 . 12 1 1 A 103 103 LYS CA C 103 56.856 55.868 0.988 1
1 1348 . 12 1 1 A 103 103 LYS CB C 103 32.480 32.257 0.223 1
1 1352 . 12 1 1 A 103 103 LYS N N 103 118.773 116.145 2.628 1
1 1353 . 12 1 1 A 104 104 HIS H H 104 8.118 8.344 -0.226 1
1 1354 . 12 1 1 A 104 104 HIS HA H 104 4.560 4.090 0.470 1
1 1359 . 12 1 1 A 104 104 HIS C C 104 175.204 175.288 -0.084 1
1 1360 . 12 1 1 A 104 104 HIS CA C 104 55.932 57.052 -1.120 1
1 1361 . 12 1 1 A 104 104 HIS CB C 104 29.448 26.668 2.780 1
1 1364 . 12 1 1 A 104 104 HIS N N 104 118.685 114.335 4.350 1
1 1365 . 12 1 1 A 105 105 GLN H H 105 8.233 7.852 0.381 1
1 1366 . 12 1 1 A 105 105 GLN HA H 105 4.218 3.862 0.356 1
1 1373 . 12 1 1 A 105 105 GLN C C 105 176.172 178.807 -2.635 1
1 1374 . 12 1 1 A 105 105 GLN CA C 105 56.130 58.826 -2.696 1
1 1375 . 12 1 1 A 105 105 GLN CB C 105 28.976 28.352 0.624 1
1 1377 . 12 1 1 A 105 105 GLN N N 105 121.104 118.557 2.547 1
1 1379 . 12 1 1 A 106 106 LYS H H 106 8.346 7.789 0.557 1
1 1380 . 12 1 1 A 106 106 LYS HA H 106 4.239 4.072 0.167 1
1 1389 . 12 1 1 A 106 106 LYS C C 106 177.022 178.990 -1.968 1
1 1390 . 12 1 1 A 106 106 LYS CA C 106 56.647 58.552 -1.905 1
1 1391 . 12 1 1 A 106 106 LYS CB C 106 32.481 32.223 0.258 1
1 1395 . 12 1 1 A 106 106 LYS N N 106 122.274 119.067 3.207 1
1 16 . 13 1 1 A 2 2 VAL H H 2 8.319 8.637 -0.318 1
1 17 . 13 1 1 A 2 2 VAL HA H 2 4.096 4.186 -0.090 1
1 25 . 13 1 1 A 2 2 VAL C C 2 176.167 177.581 -1.414 1
1 26 . 13 1 1 A 2 2 VAL CA C 2 67.781 61.140 6.641 1
1 27 . 13 1 1 A 2 2 VAL CB C 2 32.484 31.690 0.794 1
1 30 . 13 1 1 A 2 2 VAL N N 2 122.596 125.399 -2.803 1
1 31 . 13 1 1 A 3 3 LYS H H 3 8.470 8.553 -0.083 1
1 32 . 13 1 1 A 3 3 LYS HA H 3 4.327 3.841 0.486 1
1 41 . 13 1 1 A 3 3 LYS C C 3 176.713 176.982 -0.269 1
1 42 . 13 1 1 A 3 3 LYS CA C 3 56.391 59.519 -3.128 1
1 43 . 13 1 1 A 3 3 LYS CB C 3 32.723 32.089 0.634 1
1 47 . 13 1 1 A 3 3 LYS N N 3 127.359 124.446 2.913 1
1 48 . 13 1 1 A 4 4 PHE H H 4 8.471 7.093 1.378 1
1 49 . 13 1 1 A 4 4 PHE HA H 4 4.491 4.574 -0.083 1
1 57 . 13 1 1 A 4 4 PHE C C 4 177.923 175.137 2.786 1
1 58 . 13 1 1 A 4 4 PHE CA C 4 57.566 56.438 1.128 1
1 59 . 13 1 1 A 4 4 PHE CB C 4 39.751 39.907 -0.156 1
1 65 . 13 1 1 A 4 4 PHE N N 4 125.570 117.527 8.043 1
1 66 . 13 1 1 A 5 5 THR H H 5 8.880 8.504 0.376 1
1 67 . 13 1 1 A 5 5 THR HA H 5 4.490 4.690 -0.200 1
1 72 . 13 1 1 A 5 5 THR C C 5 175.297 175.805 -0.508 1
1 73 . 13 1 1 A 5 5 THR CA C 5 60.140 60.438 -0.298 1
1 74 . 13 1 1 A 5 5 THR CB C 5 70.922 70.633 0.289 1
1 76 . 13 1 1 A 5 5 THR N N 5 114.601 115.501 -0.900 1
1 77 . 13 1 1 A 6 6 GLU H H 6 9.000 9.076 -0.076 1
1 78 . 13 1 1 A 6 6 GLU HA H 6 4.142 4.099 0.043 1
1 83 . 13 1 1 A 6 6 GLU C C 6 179.326 178.304 1.022 1
1 84 . 13 1 1 A 6 6 GLU CA C 6 59.675 60.051 -0.376 1
1 85 . 13 1 1 A 6 6 GLU CB C 6 29.203 29.262 -0.059 1
1 87 . 13 1 1 A 6 6 GLU N N 6 121.577 127.388 -5.811 1
1 88 . 13 1 1 A 7 7 GLU H H 7 8.658 8.213 0.445 1
1 89 . 13 1 1 A 7 7 GLU HA H 7 4.026 3.978 0.048 1
1 94 . 13 1 1 A 7 7 GLU C C 7 179.616 178.896 0.720 1
1 95 . 13 1 1 A 7 7 GLU CA C 7 59.683 59.467 0.216 1
1 96 . 13 1 1 A 7 7 GLU CB C 7 28.972 29.259 -0.287 1
1 98 . 13 1 1 A 7 7 GLU N N 7 118.231 120.105 -1.874 1
1 99 . 13 1 1 A 8 8 GLU H H 8 7.930 8.441 -0.511 1
1 100 . 13 1 1 A 8 8 GLU HA H 8 3.955 3.998 -0.043 1
1 105 . 13 1 1 A 8 8 GLU C C 8 178.395 177.978 0.417 1
1 106 . 13 1 1 A 8 8 GLU CA C 8 59.672 59.333 0.339 1
1 107 . 13 1 1 A 8 8 GLU CB C 8 31.318 29.197 2.121 1
1 109 . 13 1 1 A 8 8 GLU N N 8 121.169 119.800 1.369 1
1 110 . 13 1 1 A 9 9 ASP H H 9 8.507 7.862 0.645 1
1 111 . 13 1 1 A 9 9 ASP HA H 9 4.677 4.075 0.602 1
1 114 . 13 1 1 A 9 9 ASP C C 9 179.329 177.848 1.481 1
1 115 . 13 1 1 A 9 9 ASP CA C 9 57.562 56.770 0.792 1
1 116 . 13 1 1 A 9 9 ASP CB C 9 40.217 41.314 -1.097 1
1 117 . 13 1 1 A 9 9 ASP N N 9 121.164 120.011 1.153 1
1 118 . 13 1 1 A 10 10 LEU H H 10 8.042 7.604 0.438 1
1 119 . 13 1 1 A 10 10 LEU HA H 10 4.143 4.065 0.078 1
1 129 . 13 1 1 A 10 10 LEU C C 10 179.329 178.957 0.372 1
1 130 . 13 1 1 A 10 10 LEU CA C 10 57.796 57.375 0.421 1
1 131 . 13 1 1 A 10 10 LEU CB C 10 41.392 41.131 0.261 1
1 135 . 13 1 1 A 10 10 LEU N N 10 120.628 119.597 1.031 1
1 136 . 13 1 1 A 11 11 LYS H H 11 8.040 8.378 -0.338 1
1 137 . 13 1 1 A 11 11 LYS HA H 11 4.049 3.970 0.079 1
1 146 . 13 1 1 A 11 11 LYS C C 11 178.345 178.998 -0.653 1
1 147 . 13 1 1 A 11 11 LYS CA C 11 59.199 59.544 -0.345 1
1 148 . 13 1 1 A 11 11 LYS CB C 11 32.488 31.960 0.528 1
1 152 . 13 1 1 A 11 11 LYS N N 11 121.016 118.872 2.144 1
1 153 . 13 1 1 A 12 12 LEU H H 12 8.865 8.074 0.791 1
1 154 . 13 1 1 A 12 12 LEU HA H 12 4.258 4.006 0.252 1
1 164 . 13 1 1 A 12 12 LEU C C 12 178.298 179.033 -0.735 1
1 165 . 13 1 1 A 12 12 LEU CA C 12 58.500 57.903 0.597 1
1 166 . 13 1 1 A 12 12 LEU CB C 12 41.389 41.141 0.248 1
1 169 . 13 1 1 A 12 12 LEU N N 12 120.138 120.434 -0.296 1
1 170 . 13 1 1 A 13 13 GLN H H 13 8.400 7.688 0.712 1
1 171 . 13 1 1 A 13 13 GLN HA H 13 4.097 4.000 0.097 1
1 178 . 13 1 1 A 13 13 GLN C C 13 178.254 177.889 0.365 1
1 179 . 13 1 1 A 13 13 GLN CA C 13 59.693 59.247 0.446 1
1 180 . 13 1 1 A 13 13 GLN CB C 13 28.733 28.557 0.176 1
1 182 . 13 1 1 A 13 13 GLN N N 13 117.136 118.203 -1.067 1
1 184 . 13 1 1 A 14 14 GLN H H 14 8.175 7.448 0.727 1
1 185 . 13 1 1 A 14 14 GLN HA H 14 3.980 4.144 -0.164 1
1 192 . 13 1 1 A 14 14 GLN C C 14 179.518 178.631 0.887 1
1 193 . 13 1 1 A 14 14 GLN CA C 14 58.745 58.118 0.627 1
1 194 . 13 1 1 A 14 14 GLN CB C 14 28.034 28.944 -0.910 1
1 196 . 13 1 1 A 14 14 GLN N N 14 117.947 118.303 -0.356 1
1 198 . 13 1 1 A 15 15 LEU H H 15 8.721 8.438 0.283 1
1 199 . 13 1 1 A 15 15 LEU HA H 15 4.143 3.931 0.212 1
1 209 . 13 1 1 A 15 15 LEU C C 15 178.956 178.901 0.055 1
1 210 . 13 1 1 A 15 15 LEU CA C 15 57.562 58.069 -0.507 1
1 211 . 13 1 1 A 15 15 LEU CB C 15 42.801 42.249 0.552 1
1 215 . 13 1 1 A 15 15 LEU N N 15 120.641 120.376 0.265 1
1 216 . 13 1 1 A 16 16 VAL H H 16 8.603 8.458 0.145 1
1 217 . 13 1 1 A 16 16 VAL HA H 16 3.230 3.315 -0.085 1
1 225 . 13 1 1 A 16 16 VAL C C 16 179.988 178.148 1.840 1
1 226 . 13 1 1 A 16 16 VAL CA C 16 65.733 66.981 -1.248 1
1 227 . 13 1 1 A 16 16 VAL CB C 16 30.609 31.479 -0.870 1
1 230 . 13 1 1 A 16 16 VAL N N 16 120.873 117.677 3.196 1
1 231 . 13 1 1 A 17 17 MET H H 17 8.058 8.205 -0.147 1
1 232 . 13 1 1 A 17 17 MET HA H 17 4.050 4.166 -0.116 1
1 237 . 13 1 1 A 17 17 MET C C 17 177.501 178.433 -0.932 1
1 238 . 13 1 1 A 17 17 MET CA C 17 58.270 58.061 0.209 1
1 239 . 13 1 1 A 17 17 MET CB C 17 31.784 32.185 -0.401 1
1 241 . 13 1 1 A 17 17 MET N N 17 119.240 120.048 -0.808 1
1 242 . 13 1 1 A 18 18 ARG H H 18 7.406 7.878 -0.472 1
1 243 . 13 1 1 A 18 18 ARG HA H 18 3.957 3.870 0.087 1
1 250 . 13 1 1 A 18 18 ARG C C 18 177.691 177.365 0.326 1
1 251 . 13 1 1 A 18 18 ARG CA C 18 58.301 58.048 0.253 1
1 252 . 13 1 1 A 18 18 ARG CB C 18 30.842 29.660 1.182 1
1 255 . 13 1 1 A 18 18 ARG N N 18 117.487 120.637 -3.150 1
1 256 . 13 1 1 A 19 19 TYR H H 19 8.571 7.703 0.868 1
1 257 . 13 1 1 A 19 19 TYR HA H 19 4.490 4.487 0.003 1
1 264 . 13 1 1 A 19 19 TYR C C 19 176.706 175.802 0.904 1
1 265 . 13 1 1 A 19 19 TYR CA C 19 58.739 57.722 1.017 1
1 266 . 13 1 1 A 19 19 TYR CB C 19 39.044 38.496 0.548 1
1 271 . 13 1 1 A 19 19 TYR N N 19 115.284 115.423 -0.139 1
1 272 . 13 1 1 A 20 20 GLY H H 20 8.148 9.402 -1.254 1
1 273 . 13 1 1 A 20 20 GLY HA2 H 20 3.609 3.876 -0.267 1
1 274 . 13 1 1 A 20 20 GLY HA3 H 20 4.137 3.896 0.241 1
1 275 . 13 1 1 A 20 20 GLY C C 20 171.784 173.704 -1.920 1
1 276 . 13 1 1 A 20 20 GLY CA C 20 43.972 46.411 -2.439 1
1 277 . 13 1 1 A 20 20 GLY N N 20 110.830 108.265 2.565 1
1 278 . 13 1 1 A 21 21 ALA H H 21 7.886 7.501 0.385 1
1 279 . 13 1 1 A 21 21 ALA HA H 21 3.400 3.921 -0.521 1
1 283 . 13 1 1 A 21 21 ALA C C 21 176.002 176.842 -0.840 1
1 284 . 13 1 1 A 21 21 ALA CA C 21 49.825 50.967 -1.142 1
1 285 . 13 1 1 A 21 21 ALA CB C 21 17.960 17.943 0.017 1
1 286 . 13 1 1 A 21 21 ALA N N 21 119.337 121.990 -2.653 1
1 287 . 13 1 1 A 22 22 LYS H H 22 7.424 7.687 -0.263 1
1 288 . 13 1 1 A 22 22 LYS HA H 22 4.258 4.602 -0.344 1
1 297 . 13 1 1 A 22 22 LYS C C 22 175.769 175.943 -0.174 1
1 298 . 13 1 1 A 22 22 LYS CA C 22 55.921 56.371 -0.450 1
1 299 . 13 1 1 A 22 22 LYS CB C 22 33.371 34.439 -1.068 1
1 303 . 13 1 1 A 22 22 LYS N N 22 115.793 114.326 1.467 1
1 304 . 13 1 1 A 23 23 ASP H H 23 7.724 7.436 0.288 1
1 305 . 13 1 1 A 23 23 ASP HA H 23 4.700 4.954 -0.254 1
1 308 . 13 1 1 A 23 23 ASP C C 23 176.142 176.230 -0.088 1
1 309 . 13 1 1 A 23 23 ASP CA C 23 51.704 52.982 -1.278 1
1 310 . 13 1 1 A 23 23 ASP CB C 23 39.514 40.788 -1.274 1
1 311 . 13 1 1 A 23 23 ASP N N 23 119.398 118.805 0.593 1
1 312 . 13 1 1 A 24 24 TRP H H 24 8.035 7.698 0.337 1
1 313 . 13 1 1 A 24 24 TRP HA H 24 4.258 4.213 0.045 1
1 322 . 13 1 1 A 24 24 TRP C C 24 178.252 178.956 -0.704 1
1 323 . 13 1 1 A 24 24 TRP CA C 24 58.736 59.819 -1.083 1
1 324 . 13 1 1 A 24 24 TRP CB C 24 28.970 29.398 -0.428 1
1 330 . 13 1 1 A 24 24 TRP N N 24 123.130 120.327 2.803 1
1 332 . 13 1 1 A 25 25 ILE H H 25 8.092 7.709 0.383 1
1 333 . 13 1 1 A 25 25 ILE HA H 25 3.724 3.758 -0.034 1
1 343 . 13 1 1 A 25 25 ILE C C 25 177.806 177.661 0.145 1
1 344 . 13 1 1 A 25 25 ILE CA C 25 65.060 64.685 0.375 1
1 345 . 13 1 1 A 25 25 ILE CB C 25 36.234 37.412 -1.178 1
1 349 . 13 1 1 A 25 25 ILE N N 25 121.518 116.924 4.594 1
1 350 . 13 1 1 A 26 26 ARG H H 26 7.503 7.624 -0.121 1
1 351 . 13 1 1 A 26 26 ARG HA H 26 3.864 3.957 -0.093 1
1 358 . 13 1 1 A 26 26 ARG C C 26 178.303 178.622 -0.319 1
1 359 . 13 1 1 A 26 26 ARG CA C 26 58.267 58.907 -0.640 1
1 360 . 13 1 1 A 26 26 ARG CB C 26 29.680 29.774 -0.094 1
1 363 . 13 1 1 A 26 26 ARG N N 26 122.119 120.938 1.181 1
1 364 . 13 1 1 A 27 27 ILE H H 27 7.340 7.978 -0.638 1
1 365 . 13 1 1 A 27 27 ILE HA H 27 3.450 3.662 -0.212 1
1 375 . 13 1 1 A 27 27 ILE C C 27 177.689 178.628 -0.939 1
1 376 . 13 1 1 A 27 27 ILE CA C 27 63.893 65.031 -1.138 1
1 377 . 13 1 1 A 27 27 ILE CB C 27 36.474 37.152 -0.678 1
1 381 . 13 1 1 A 27 27 ILE N N 27 115.446 119.819 -4.373 1
1 382 . 13 1 1 A 28 28 SER H H 28 8.203 8.381 -0.178 1
1 383 . 13 1 1 A 28 28 SER HA H 28 4.144 4.315 -0.171 1
1 386 . 13 1 1 A 28 28 SER C C 28 177.220 177.292 -0.072 1
1 387 . 13 1 1 A 28 28 SER CA C 28 61.085 61.403 -0.318 1
1 388 . 13 1 1 A 28 28 SER CB C 28 63.421 63.135 0.286 1
1 389 . 13 1 1 A 28 28 SER N N 28 113.324 117.065 -3.741 1
1 390 . 13 1 1 A 29 29 GLN H H 29 8.177 7.499 0.678 1
1 391 . 13 1 1 A 29 29 GLN HA H 29 4.003 4.059 -0.056 1
1 398 . 13 1 1 A 29 29 GLN C C 29 178.910 179.214 -0.304 1
1 399 . 13 1 1 A 29 29 GLN CA C 29 58.503 58.821 -0.318 1
1 400 . 13 1 1 A 29 29 GLN CB C 29 27.796 28.231 -0.435 1
1 402 . 13 1 1 A 29 29 GLN N N 29 120.561 121.629 -1.068 1
1 404 . 13 1 1 A 30 30 LEU H H 30 7.494 7.321 0.173 1
1 405 . 13 1 1 A 30 30 LEU HA H 30 4.258 4.204 0.054 1
1 415 . 13 1 1 A 30 30 LEU C C 30 178.956 177.239 1.717 1
1 416 . 13 1 1 A 30 30 LEU CA C 30 55.675 56.687 -1.012 1
1 417 . 13 1 1 A 30 30 LEU CB C 30 42.559 43.094 -0.535 1
1 421 . 13 1 1 A 30 30 LEU N N 30 118.106 119.224 -1.118 1
1 422 . 13 1 1 A 31 31 MET H H 31 8.399 7.323 1.076 1
1 423 . 13 1 1 A 31 31 MET HA H 31 4.329 4.878 -0.549 1
1 428 . 13 1 1 A 31 31 MET C C 31 179.515 175.728 3.787 1
1 429 . 13 1 1 A 31 31 MET CA C 31 55.921 54.324 1.597 1
1 430 . 13 1 1 A 31 31 MET CB C 31 31.310 32.935 -1.625 1
1 432 . 13 1 1 A 31 31 MET N N 31 120.008 115.996 4.012 1
1 433 . 13 1 1 A 32 32 ILE H H 32 8.177 8.074 0.103 1
1 434 . 13 1 1 A 32 32 ILE HA H 32 3.423 4.084 -0.661 1
1 444 . 13 1 1 A 32 32 ILE C C 32 179.473 177.899 1.574 1
1 445 . 13 1 1 A 32 32 ILE CA C 32 67.639 63.286 4.353 1
1 446 . 13 1 1 A 32 32 ILE CB C 32 35.767 37.683 -1.916 1
1 450 . 13 1 1 A 32 32 ILE N N 32 114.338 119.378 -5.040 1
1 451 . 13 1 1 A 33 33 THR H H 33 8.957 7.827 1.130 1
1 452 . 13 1 1 A 33 33 THR HA H 33 4.143 4.226 -0.083 1
1 457 . 13 1 1 A 33 33 THR C C 33 174.361 174.594 -0.233 1
1 458 . 13 1 1 A 33 33 THR CA C 33 62.251 65.105 -2.854 1
1 459 . 13 1 1 A 33 33 THR CB C 33 68.581 68.700 -0.119 1
1 461 . 13 1 1 A 33 33 THR N N 33 110.164 115.227 -5.063 1
1 462 . 13 1 1 A 34 34 ARG H H 34 6.509 7.374 -0.865 1
1 463 . 13 1 1 A 34 34 ARG HA H 34 4.862 4.778 0.084 1
1 470 . 13 1 1 A 34 34 ARG C C 34 174.922 174.320 0.602 1
1 471 . 13 1 1 A 34 34 ARG CA C 34 51.939 55.147 -3.208 1
1 472 . 13 1 1 A 34 34 ARG CB C 34 36.061 33.989 2.072 1
1 475 . 13 1 1 A 34 34 ARG N N 34 116.058 121.806 -5.748 1
1 476 . 13 1 1 A 35 35 ASN H H 35 8.733 8.779 -0.046 1
1 477 . 13 1 1 A 35 35 ASN HA H 35 4.810 4.991 -0.181 1
1 482 . 13 1 1 A 35 35 ASN C C 35 173.986 175.235 -1.249 1
1 483 . 13 1 1 A 35 35 ASN CA C 35 52.107 51.811 0.296 1
1 484 . 13 1 1 A 35 35 ASN CB C 35 36.636 38.194 -1.558 1
1 485 . 13 1 1 A 35 35 ASN N N 35 122.840 123.126 -0.286 1
1 487 . 13 1 1 A 36 36 PRO HA H 36 4.197 4.672 -0.475 1
1 494 . 13 1 1 A 36 36 PRO C C 36 178.019 178.935 -0.916 1
1 495 . 13 1 1 A 36 36 PRO CA C 36 67.412 65.893 1.519 1
1 496 . 13 1 1 A 36 36 PRO CB C 36 32.018 31.744 0.274 1
1 499 . 13 1 1 A 37 37 ARG H H 37 7.804 8.548 -0.744 1
1 500 . 13 1 1 A 37 37 ARG HA H 37 3.749 3.854 -0.105 1
1 507 . 13 1 1 A 37 37 ARG C C 37 178.300 179.108 -0.808 1
1 508 . 13 1 1 A 37 37 ARG CA C 37 59.202 58.927 0.275 1
1 509 . 13 1 1 A 37 37 ARG CB C 37 29.435 29.582 -0.147 1
1 512 . 13 1 1 A 37 37 ARG N N 37 117.759 118.438 -0.679 1
1 513 . 13 1 1 A 38 38 GLN H H 38 8.682 7.886 0.796 1
1 514 . 13 1 1 A 38 38 GLN HA H 38 4.043 4.192 -0.149 1
1 521 . 13 1 1 A 38 38 GLN C C 38 180.078 178.902 1.176 1
1 522 . 13 1 1 A 38 38 GLN CA C 38 58.506 59.188 -0.682 1
1 523 . 13 1 1 A 38 38 GLN CB C 38 29.431 28.705 0.726 1
1 525 . 13 1 1 A 38 38 GLN N N 38 117.504 119.290 -1.786 1
1 527 . 13 1 1 A 39 39 CYS H H 39 8.095 8.003 0.092 1
1 528 . 13 1 1 A 39 39 CYS HA H 39 4.059 4.401 -0.342 1
1 531 . 13 1 1 A 39 39 CYS C C 39 173.893 177.016 -3.123 1
1 532 . 13 1 1 A 39 39 CYS CA C 39 64.592 63.374 1.218 1
1 533 . 13 1 1 A 39 39 CYS CB C 39 27.328 26.705 0.623 1
1 534 . 13 1 1 A 39 39 CYS N N 39 116.291 118.541 -2.250 1
1 535 . 13 1 1 A 40 40 ARG H H 40 7.589 7.687 -0.098 1
1 536 . 13 1 1 A 40 40 ARG HA H 40 1.821 2.575 -0.754 1
1 543 . 13 1 1 A 40 40 ARG C C 40 178.204 178.565 -0.361 1
1 544 . 13 1 1 A 40 40 ARG CA C 40 58.264 58.751 -0.487 1
1 545 . 13 1 1 A 40 40 ARG CB C 40 29.440 28.969 0.471 1
1 548 . 13 1 1 A 40 40 ARG N N 40 121.272 121.884 -0.612 1
1 549 . 13 1 1 A 41 41 GLU H H 41 8.352 8.208 0.144 1
1 550 . 13 1 1 A 41 41 GLU HA H 41 3.817 3.969 -0.152 1
1 555 . 13 1 1 A 41 41 GLU C C 41 178.718 178.862 -0.144 1
1 556 . 13 1 1 A 41 41 GLU CA C 41 58.971 59.306 -0.335 1
1 557 . 13 1 1 A 41 41 GLU CB C 41 28.972 29.204 -0.232 1
1 559 . 13 1 1 A 41 41 GLU N N 41 117.034 117.347 -0.313 1
1 560 . 13 1 1 A 42 42 ARG H H 42 7.755 7.860 -0.105 1
1 561 . 13 1 1 A 42 42 ARG HA H 42 3.931 4.233 -0.302 1
1 568 . 13 1 1 A 42 42 ARG C C 42 179.333 178.299 1.034 1
1 569 . 13 1 1 A 42 42 ARG CA C 42 57.261 59.046 -1.785 1
1 570 . 13 1 1 A 42 42 ARG CB C 42 29.610 30.371 -0.761 1
1 573 . 13 1 1 A 42 42 ARG N N 42 119.603 120.452 -0.849 1
1 574 . 13 1 1 A 43 43 TRP H H 43 8.199 8.257 -0.058 1
1 575 . 13 1 1 A 43 43 TRP HA H 43 4.292 4.367 -0.075 1
1 579 . 13 1 1 A 43 43 TRP C C 43 176.705 178.623 -1.918 1
1 580 . 13 1 1 A 43 43 TRP CA C 43 57.006 61.360 -4.354 1
1 581 . 13 1 1 A 43 43 TRP CB C 43 29.620 29.824 -0.204 1
1 582 . 13 1 1 A 43 43 TRP N N 43 119.355 121.972 -2.617 1
1 584 . 13 1 1 A 44 44 ASN H H 44 8.478 7.945 0.533 1
1 585 . 13 1 1 A 44 44 ASN HA H 44 4.177 4.341 -0.164 1
1 590 . 13 1 1 A 44 44 ASN C C 44 176.986 177.233 -0.247 1
1 591 . 13 1 1 A 44 44 ASN CA C 44 55.457 56.005 -0.548 1
1 592 . 13 1 1 A 44 44 ASN CB C 44 38.347 38.313 0.034 1
1 593 . 13 1 1 A 44 44 ASN N N 44 113.530 118.475 -4.945 1
1 595 . 13 1 1 A 45 45 ASN H H 45 8.060 8.172 -0.112 1
1 596 . 13 1 1 A 45 45 ASN HA H 45 4.630 4.777 -0.147 1
1 601 . 13 1 1 A 45 45 ASN C C 45 175.347 174.996 0.351 1
1 602 . 13 1 1 A 45 45 ASN CA C 45 53.350 53.669 -0.319 1
1 603 . 13 1 1 A 45 45 ASN CB C 45 39.047 39.171 -0.124 1
1 604 . 13 1 1 A 45 45 ASN N N 45 112.540 113.277 -0.737 1
1 606 . 13 1 1 A 46 46 TYR H H 46 7.443 8.010 -0.567 1
1 607 . 13 1 1 A 46 46 TYR HA H 46 4.447 5.148 -0.701 1
1 614 . 13 1 1 A 46 46 TYR C C 46 175.439 175.100 0.339 1
1 615 . 13 1 1 A 46 46 TYR CA C 46 60.074 59.220 0.854 1
1 616 . 13 1 1 A 46 46 TYR CB C 46 40.383 40.556 -0.173 1
1 621 . 13 1 1 A 46 46 TYR N N 46 117.403 119.000 -1.597 1
1 622 . 13 1 1 A 47 47 ILE HA H 47 3.786 4.764 -0.978 1
1 632 . 13 1 1 A 47 47 ILE C C 47 175.440 174.304 1.136 1
1 633 . 13 1 1 A 47 47 ILE CA C 47 62.240 59.354 2.886 1
1 634 . 13 1 1 A 47 47 ILE CB C 47 38.670 41.105 -2.435 1
1 638 . 13 1 1 A 48 48 ASN H H 48 7.922 8.715 -0.793 1
1 639 . 13 1 1 A 48 48 ASN HA H 48 3.795 4.899 -1.104 1
1 642 . 13 1 1 A 48 48 ASN C C 48 174.640 175.533 -0.893 1
1 643 . 13 1 1 A 48 48 ASN N N 48 119.990 120.050 -0.060 1
1 645 . 13 1 1 A 49 49 PRO HA H 49 4.166 4.421 -0.255 1
1 652 . 13 1 1 A 49 49 PRO C C 49 177.408 176.496 0.912 1
1 653 . 13 1 1 A 49 49 PRO CA C 49 64.124 63.601 0.523 1
1 654 . 13 1 1 A 49 49 PRO CB C 49 31.313 32.622 -1.309 1
1 657 . 13 1 1 A 50 50 ALA H H 50 7.595 7.979 -0.384 1
1 658 . 13 1 1 A 50 50 ALA HA H 50 4.128 3.994 0.134 1
1 662 . 13 1 1 A 50 50 ALA C C 50 178.251 177.632 0.619 1
1 663 . 13 1 1 A 50 50 ALA CA C 50 52.642 52.987 -0.345 1
1 664 . 13 1 1 A 50 50 ALA CB C 50 18.422 17.266 1.156 1
1 665 . 13 1 1 A 50 50 ALA N N 50 120.036 120.416 -0.380 1
1 666 . 13 1 1 A 51 51 LEU H H 51 7.586 7.923 -0.337 1
1 667 . 13 1 1 A 51 51 LEU HA H 51 4.119 4.675 -0.556 1
1 677 . 13 1 1 A 51 51 LEU C C 51 177.686 177.903 -0.217 1
1 678 . 13 1 1 A 51 51 LEU CA C 51 55.219 54.647 0.572 1
1 679 . 13 1 1 A 51 51 LEU CB C 51 41.883 41.544 0.339 1
1 683 . 13 1 1 A 51 51 LEU N N 51 118.197 116.238 1.959 1
1 684 . 13 1 1 A 52 52 ARG H H 52 8.013 7.823 0.190 1
1 685 . 13 1 1 A 52 52 ARG HA H 52 4.334 4.091 0.243 1
1 692 . 13 1 1 A 52 52 ARG C C 52 176.658 176.385 0.273 1
1 693 . 13 1 1 A 52 52 ARG CA C 52 55.923 58.396 -2.473 1
1 694 . 13 1 1 A 52 52 ARG CB C 52 31.086 30.146 0.940 1
1 697 . 13 1 1 A 52 52 ARG N N 52 119.899 120.331 -0.432 1
1 698 . 13 1 1 A 53 53 THR H H 53 8.187 7.501 0.686 1
1 699 . 13 1 1 A 53 53 THR HA H 53 4.345 4.540 -0.195 1
1 704 . 13 1 1 A 53 53 THR C C 53 173.892 172.841 1.051 1
1 705 . 13 1 1 A 53 53 THR CA C 53 60.611 60.665 -0.054 1
1 706 . 13 1 1 A 53 53 THR CB C 53 69.514 69.051 0.463 1
1 708 . 13 1 1 A 53 53 THR N N 53 113.907 112.459 1.448 1
1 709 . 13 1 1 A 54 54 ASP H H 54 8.430 8.320 0.110 1
1 710 . 13 1 1 A 54 54 ASP HA H 54 4.810 5.214 -0.404 1
1 713 . 13 1 1 A 54 54 ASP C C 54 174.082 173.094 0.988 1
1 714 . 13 1 1 A 54 54 ASP CA C 54 52.578 51.626 0.952 1
1 715 . 13 1 1 A 54 54 ASP CB C 54 39.685 41.700 -2.015 1
1 716 . 13 1 1 A 54 54 ASP N N 54 123.174 125.953 -2.779 1
1 717 . 13 1 1 A 55 55 PRO HA H 55 4.561 4.539 0.022 1
1 724 . 13 1 1 A 55 55 PRO C C 55 177.127 176.676 0.451 1
1 725 . 13 1 1 A 55 55 PRO CA C 55 62.958 62.445 0.513 1
1 726 . 13 1 1 A 55 55 PRO CB C 55 32.013 32.153 -0.140 1
1 729 . 13 1 1 A 56 56 TRP H H 56 8.721 7.508 1.213 1
1 730 . 13 1 1 A 56 56 TRP HA H 56 4.351 4.938 -0.587 1
1 739 . 13 1 1 A 56 56 TRP C C 56 177.127 175.531 1.596 1
1 740 . 13 1 1 A 56 56 TRP CA C 56 57.796 56.359 1.437 1
1 741 . 13 1 1 A 56 56 TRP CB C 56 28.732 31.179 -2.447 1
1 747 . 13 1 1 A 56 56 TRP N N 56 124.713 120.271 4.442 1
1 749 . 13 1 1 A 57 57 SER H H 57 9.085 8.944 0.141 1
1 750 . 13 1 1 A 57 57 SER HA H 57 4.957 5.091 -0.134 1
1 753 . 13 1 1 A 57 57 SER C C 57 173.562 175.053 -1.491 1
1 754 . 13 1 1 A 57 57 SER CA C 57 55.852 55.740 0.112 1
1 755 . 13 1 1 A 57 57 SER CB C 57 63.824 65.700 -1.876 1
1 756 . 13 1 1 A 57 57 SER N N 57 122.041 113.377 8.664 1
1 757 . 13 1 1 A 58 58 PRO HA H 58 4.444 4.320 0.124 1
1 764 . 13 1 1 A 58 58 PRO C C 58 179.777 178.874 0.903 1
1 765 . 13 1 1 A 58 58 PRO CA C 58 65.071 65.196 -0.125 1
1 766 . 13 1 1 A 58 58 PRO CB C 58 31.546 31.919 -0.373 1
1 769 . 13 1 1 A 59 59 GLU H H 59 8.788 8.300 0.488 1
1 770 . 13 1 1 A 59 59 GLU HA H 59 4.088 4.113 -0.025 1
1 775 . 13 1 1 A 59 59 GLU C C 59 179.656 179.182 0.474 1
1 776 . 13 1 1 A 59 59 GLU CA C 59 60.373 60.040 0.333 1
1 777 . 13 1 1 A 59 59 GLU CB C 59 28.505 29.110 -0.605 1
1 779 . 13 1 1 A 59 59 GLU N N 59 117.546 117.291 0.255 1
1 780 . 13 1 1 A 60 60 GLU H H 60 7.977 8.202 -0.225 1
1 781 . 13 1 1 A 60 60 GLU HA H 60 4.015 4.060 -0.045 1
1 786 . 13 1 1 A 60 60 GLU C C 60 178.440 178.918 -0.478 1
1 787 . 13 1 1 A 60 60 GLU CA C 60 59.913 59.325 0.588 1
1 788 . 13 1 1 A 60 60 GLU CB C 60 31.541 28.549 2.992 1
1 790 . 13 1 1 A 60 60 GLU N N 60 122.264 119.669 2.595 1
1 791 . 13 1 1 A 61 61 ASP H H 61 8.267 8.144 0.123 1
1 792 . 13 1 1 A 61 61 ASP HA H 61 4.654 4.539 0.115 1
1 795 . 13 1 1 A 61 61 ASP C C 61 179.469 178.760 0.709 1
1 796 . 13 1 1 A 61 61 ASP CA C 61 57.562 57.678 -0.116 1
1 797 . 13 1 1 A 61 61 ASP CB C 61 39.987 41.609 -1.622 1
1 798 . 13 1 1 A 61 61 ASP N N 61 120.543 120.308 0.235 1
1 799 . 13 1 1 A 62 62 MET H H 62 8.139 8.541 -0.402 1
1 800 . 13 1 1 A 62 62 MET HA H 62 4.284 4.236 0.048 1
1 805 . 13 1 1 A 62 62 MET C C 62 178.811 178.374 0.437 1
1 806 . 13 1 1 A 62 62 MET CA C 62 58.505 58.840 -0.335 1
1 807 . 13 1 1 A 62 62 MET CB C 62 32.251 32.928 -0.677 1
1 809 . 13 1 1 A 62 62 MET N N 62 119.343 117.974 1.369 1
1 810 . 13 1 1 A 63 63 LEU H H 63 7.959 7.960 -0.001 1
1 811 . 13 1 1 A 63 63 LEU HA H 63 4.212 4.078 0.134 1
1 821 . 13 1 1 A 63 63 LEU C C 63 177.642 178.359 -0.717 1
1 822 . 13 1 1 A 63 63 LEU CA C 63 57.562 57.638 -0.076 1
1 823 . 13 1 1 A 63 63 LEU CB C 63 42.096 41.660 0.436 1
1 827 . 13 1 1 A 63 63 LEU N N 63 122.676 120.698 1.978 1
1 828 . 13 1 1 A 64 64 LEU H H 64 8.784 8.602 0.182 1
1 829 . 13 1 1 A 64 64 LEU HA H 64 4.119 3.948 0.171 1
1 839 . 13 1 1 A 64 64 LEU C C 64 177.515 178.070 -0.555 1
1 840 . 13 1 1 A 64 64 LEU CA C 64 58.738 58.094 0.644 1
1 841 . 13 1 1 A 64 64 LEU CB C 64 41.395 41.699 -0.304 1
1 845 . 13 1 1 A 64 64 LEU N N 64 120.877 120.129 0.748 1
1 846 . 13 1 1 A 65 65 ASP H H 65 8.085 8.170 -0.085 1
1 847 . 13 1 1 A 65 65 ASP HA H 65 4.630 4.422 0.208 1
1 850 . 13 1 1 A 65 65 ASP C C 65 179.391 178.833 0.558 1
1 851 . 13 1 1 A 65 65 ASP CA C 65 57.566 57.669 -0.103 1
1 852 . 13 1 1 A 65 65 ASP CB C 65 41.626 42.188 -0.562 1
1 853 . 13 1 1 A 65 65 ASP N N 65 118.583 119.113 -0.530 1
1 854 . 13 1 1 A 66 66 GLN H H 66 8.336 7.643 0.693 1
1 855 . 13 1 1 A 66 66 GLN HA H 66 4.050 4.013 0.037 1
1 862 . 13 1 1 A 66 66 GLN C C 66 179.565 178.229 1.336 1
1 863 . 13 1 1 A 66 66 GLN CA C 66 58.739 59.080 -0.341 1
1 864 . 13 1 1 A 66 66 GLN CB C 66 28.502 28.600 -0.098 1
1 866 . 13 1 1 A 66 66 GLN N N 66 118.725 119.401 -0.676 1
1 868 . 13 1 1 A 67 67 LYS H H 67 9.126 7.902 1.224 1
1 869 . 13 1 1 A 67 67 LYS HA H 67 4.142 4.111 0.031 1
1 878 . 13 1 1 A 67 67 LYS C C 67 178.671 178.750 -0.079 1
1 879 . 13 1 1 A 67 67 LYS CA C 67 56.156 58.968 -2.812 1
1 880 . 13 1 1 A 67 67 LYS CB C 67 31.550 32.625 -1.075 1
1 884 . 13 1 1 A 67 67 LYS N N 67 117.220 119.098 -1.878 1
1 885 . 13 1 1 A 68 68 TYR H H 68 9.361 8.757 0.604 1
1 886 . 13 1 1 A 68 68 TYR HA H 68 3.819 4.086 -0.267 1
1 893 . 13 1 1 A 68 68 TYR C C 68 179.235 177.673 1.562 1
1 894 . 13 1 1 A 68 68 TYR CA C 68 61.547 61.858 -0.311 1
1 895 . 13 1 1 A 68 68 TYR CB C 68 37.881 38.627 -0.746 1
1 900 . 13 1 1 A 68 68 TYR N N 68 123.884 120.759 3.125 1
1 901 . 13 1 1 A 69 69 ALA H H 69 7.810 7.945 -0.135 1
1 902 . 13 1 1 A 69 69 ALA HA H 69 3.980 4.009 -0.029 1
1 906 . 13 1 1 A 69 69 ALA C C 69 178.673 179.020 -0.347 1
1 907 . 13 1 1 A 69 69 ALA CA C 69 54.755 55.187 -0.432 1
1 908 . 13 1 1 A 69 69 ALA CB C 69 17.253 18.488 -1.235 1
1 909 . 13 1 1 A 69 69 ALA N N 69 121.733 121.650 0.083 1
1 910 . 13 1 1 A 70 70 GLU H H 70 7.091 7.820 -0.729 1
1 911 . 13 1 1 A 70 70 GLU HA H 70 3.848 4.104 -0.256 1
1 916 . 13 1 1 A 70 70 GLU C C 70 178.018 177.517 0.501 1
1 917 . 13 1 1 A 70 70 GLU CA C 70 58.566 58.043 0.523 1
1 918 . 13 1 1 A 70 70 GLU CB C 70 30.609 30.265 0.344 1
1 920 . 13 1 1 A 70 70 GLU N N 70 115.850 116.646 -0.796 1
1 921 . 13 1 1 A 71 71 TYR H H 71 8.270 8.025 0.245 1
1 922 . 13 1 1 A 71 71 TYR HA H 71 4.537 4.450 0.087 1
1 929 . 13 1 1 A 71 71 TYR C C 71 177.174 176.240 0.934 1
1 930 . 13 1 1 A 71 71 TYR CA C 71 57.796 58.348 -0.552 1
1 931 . 13 1 1 A 71 71 TYR CB C 71 40.219 39.040 1.179 1
1 936 . 13 1 1 A 71 71 TYR N N 71 114.509 115.271 -0.762 1
1 937 . 13 1 1 A 72 72 GLY H H 72 8.417 7.840 0.577 1
1 938 . 13 1 1 A 72 72 GLY HA2 H 72 3.720 2.923 0.797 1
1 939 . 13 1 1 A 72 72 GLY HA3 H 72 2.255 3.619 -1.364 1
1 940 . 13 1 1 A 72 72 GLY C C 72 172.111 174.389 -2.278 1
1 941 . 13 1 1 A 72 72 GLY CA C 72 43.439 43.983 -0.544 1
1 942 . 13 1 1 A 72 72 GLY N N 72 111.509 107.096 4.413 1
1 943 . 13 1 1 A 73 73 PRO HA H 73 2.587 2.753 -0.166 1
1 950 . 13 1 1 A 73 73 PRO C C 73 175.393 175.084 0.309 1
1 951 . 13 1 1 A 73 73 PRO CA C 73 62.018 62.894 -0.876 1
1 952 . 13 1 1 A 73 73 PRO CB C 73 28.033 30.944 -2.911 1
1 955 . 13 1 1 A 74 74 LYS H H 74 8.065 8.430 -0.365 1
1 956 . 13 1 1 A 74 74 LYS HA H 74 4.259 4.275 -0.016 1
1 965 . 13 1 1 A 74 74 LYS C C 74 177.220 176.298 0.922 1
1 966 . 13 1 1 A 74 74 LYS CA C 74 52.641 54.589 -1.948 1
1 967 . 13 1 1 A 74 74 LYS CB C 74 30.145 30.150 -0.005 1
1 971 . 13 1 1 A 74 74 LYS N N 74 125.996 118.288 7.708 1
1 972 . 13 1 1 A 75 75 TRP H H 75 6.735 6.939 -0.204 1
1 973 . 13 1 1 A 75 75 TRP HA H 75 4.305 4.384 -0.079 1
1 982 . 13 1 1 A 75 75 TRP C C 75 177.174 178.399 -1.225 1
1 983 . 13 1 1 A 75 75 TRP CA C 75 58.969 60.064 -1.095 1
1 984 . 13 1 1 A 75 75 TRP CB C 75 29.668 28.757 0.911 1
1 990 . 13 1 1 A 75 75 TRP N N 75 122.056 121.336 0.720 1
1 992 . 13 1 1 A 76 76 ASN H H 76 8.732 8.330 0.402 1
1 993 . 13 1 1 A 76 76 ASN HA H 76 4.606 4.469 0.137 1
1 998 . 13 1 1 A 76 76 ASN C C 76 177.830 176.873 0.957 1
1 999 . 13 1 1 A 76 76 ASN CA C 76 55.925 56.402 -0.477 1
1 1000 . 13 1 1 A 76 76 ASN CB C 76 37.876 38.600 -0.724 1
1 1001 . 13 1 1 A 76 76 ASN N N 76 114.266 119.942 -5.676 1
1 1003 . 13 1 1 A 77 77 LYS H H 77 7.401 8.006 -0.605 1
1 1004 . 13 1 1 A 77 77 LYS HA H 77 3.979 3.980 -0.001 1
1 1013 . 13 1 1 A 77 77 LYS C C 77 178.859 179.176 -0.317 1
1 1014 . 13 1 1 A 77 77 LYS CA C 77 57.800 58.452 -0.652 1
1 1015 . 13 1 1 A 77 77 LYS CB C 77 31.545 32.414 -0.869 1
1 1019 . 13 1 1 A 77 77 LYS N N 77 120.857 118.480 2.377 1
1 1020 . 13 1 1 A 78 78 ILE H H 78 7.754 7.685 0.069 1
1 1021 . 13 1 1 A 78 78 ILE HA H 78 3.679 3.731 -0.052 1
1 1031 . 13 1 1 A 78 78 ILE C C 78 178.202 177.948 0.254 1
1 1032 . 13 1 1 A 78 78 ILE CA C 78 65.997 65.146 0.851 1
1 1033 . 13 1 1 A 78 78 ILE CB C 78 38.343 38.099 0.244 1
1 1037 . 13 1 1 A 78 78 ILE N N 78 118.290 121.348 -3.058 1
1 1038 . 13 1 1 A 79 79 SER H H 79 8.386 8.662 -0.276 1
1 1039 . 13 1 1 A 79 79 SER HA H 79 4.049 4.250 -0.201 1
1 1042 . 13 1 1 A 79 79 SER C C 79 175.627 176.540 -0.913 1
1 1043 . 13 1 1 A 79 79 SER CA C 79 61.084 61.509 -0.425 1
1 1044 . 13 1 1 A 79 79 SER CB C 79 62.720 62.664 0.056 1
1 1045 . 13 1 1 A 79 79 SER N N 79 114.363 114.974 -0.611 1
1 1046 . 13 1 1 A 80 80 LYS H H 80 7.017 7.981 -0.964 1
1 1047 . 13 1 1 A 80 80 LYS HA H 80 4.005 4.109 -0.104 1
1 1056 . 13 1 1 A 80 80 LYS C C 80 177.361 177.424 -0.063 1
1 1057 . 13 1 1 A 80 80 LYS CA C 80 57.098 57.933 -0.835 1
1 1058 . 13 1 1 A 80 80 LYS CB C 80 31.083 32.270 -1.187 1
1 1062 . 13 1 1 A 80 80 LYS N N 80 118.534 121.280 -2.746 1
1 1063 . 13 1 1 A 81 81 PHE H H 81 7.932 8.281 -0.349 1
1 1064 . 13 1 1 A 81 81 PHE HA H 81 4.467 4.361 0.106 1
1 1071 . 13 1 1 A 81 81 PHE C C 81 174.969 177.352 -2.383 1
1 1072 . 13 1 1 A 81 81 PHE CA C 81 58.500 60.155 -1.655 1
1 1073 . 13 1 1 A 81 81 PHE CB C 81 39.516 39.206 0.310 1
1 1078 . 13 1 1 A 81 81 PHE N N 81 114.880 117.240 -2.360 1
1 1079 . 13 1 1 A 82 82 LEU H H 82 7.487 7.194 0.293 1
1 1080 . 13 1 1 A 82 82 LEU HA H 82 4.666 4.288 0.378 1
1 1090 . 13 1 1 A 82 82 LEU C C 82 175.107 177.478 -2.371 1
1 1091 . 13 1 1 A 82 82 LEU CA C 82 52.875 56.735 -3.860 1
1 1092 . 13 1 1 A 82 82 LEU CB C 82 42.802 42.205 0.597 1
1 1096 . 13 1 1 A 82 82 LEU N N 82 122.945 119.117 3.828 1
1 1097 . 13 1 1 A 83 83 LYS H H 83 8.256 7.994 0.262 1
1 1098 . 13 1 1 A 83 83 LYS HA H 83 4.120 4.041 0.079 1
1 1107 . 13 1 1 A 83 83 LYS C C 83 176.236 176.919 -0.683 1
1 1108 . 13 1 1 A 83 83 LYS CA C 83 56.630 57.757 -1.127 1
1 1109 . 13 1 1 A 83 83 LYS CB C 83 31.786 32.089 -0.303 1
1 1113 . 13 1 1 A 83 83 LYS N N 83 118.856 118.982 -0.126 1
1 1114 . 13 1 1 A 84 84 ASN H H 84 8.684 8.157 0.527 1
1 1115 . 13 1 1 A 84 84 ASN HA H 84 4.304 4.826 -0.522 1
1 1120 . 13 1 1 A 84 84 ASN C C 84 173.846 175.473 -1.627 1
1 1121 . 13 1 1 A 84 84 ASN CA C 84 53.816 53.764 0.052 1
1 1122 . 13 1 1 A 84 84 ASN CB C 84 37.176 40.456 -3.280 1
1 1123 . 13 1 1 A 84 84 ASN N N 84 116.099 116.222 -0.123 1
1 1125 . 13 1 1 A 85 85 ARG H H 85 7.665 7.776 -0.111 1
1 1126 . 13 1 1 A 85 85 ARG HA H 85 4.675 4.751 -0.076 1
1 1132 . 13 1 1 A 85 85 ARG C C 85 175.529 174.389 1.140 1
1 1133 . 13 1 1 A 85 85 ARG CA C 85 53.112 54.070 -0.958 1
1 1134 . 13 1 1 A 85 85 ARG CB C 85 31.783 33.326 -1.543 1
1 1137 . 13 1 1 A 85 85 ARG N N 85 116.162 118.056 -1.894 1
1 1139 . 13 1 1 A 86 86 SER H H 86 8.864 8.616 0.248 1
1 1140 . 13 1 1 A 86 86 SER HA H 86 4.488 4.990 -0.502 1
1 1143 . 13 1 1 A 86 86 SER C C 86 174.407 175.202 -0.795 1
1 1144 . 13 1 1 A 86 86 SER CA C 86 57.093 55.934 1.159 1
1 1145 . 13 1 1 A 86 86 SER CB C 86 64.840 65.626 -0.786 1
1 1146 . 13 1 1 A 86 86 SER N N 86 119.204 114.624 4.580 1
1 1147 . 13 1 1 A 87 87 ASP H H 87 8.784 8.720 0.064 1
1 1148 . 13 1 1 A 87 87 ASP HA H 87 4.095 4.367 -0.272 1
1 1151 . 13 1 1 A 87 87 ASP C C 87 178.111 178.441 -0.330 1
1 1152 . 13 1 1 A 87 87 ASP CA C 87 57.801 56.935 0.866 1
1 1153 . 13 1 1 A 87 87 ASP CB C 87 39.056 39.756 -0.700 1
1 1154 . 13 1 1 A 87 87 ASP N N 87 121.415 124.550 -3.135 1
1 1155 . 13 1 1 A 88 88 ASN H H 88 8.491 8.051 0.440 1
1 1156 . 13 1 1 A 88 88 ASN HA H 88 4.166 4.392 -0.226 1
1 1161 . 13 1 1 A 88 88 ASN C C 88 176.842 177.095 -0.253 1
1 1162 . 13 1 1 A 88 88 ASN CA C 88 55.458 55.987 -0.529 1
1 1163 . 13 1 1 A 88 88 ASN CB C 88 38.103 38.567 -0.464 1
1 1164 . 13 1 1 A 88 88 ASN N N 88 115.811 118.506 -2.695 1
1 1166 . 13 1 1 A 89 89 ASN H H 89 7.959 7.778 0.181 1
1 1167 . 13 1 1 A 89 89 ASN HA H 89 4.422 4.490 -0.068 1
1 1172 . 13 1 1 A 89 89 ASN C C 89 178.159 177.902 0.257 1
1 1173 . 13 1 1 A 89 89 ASN CA C 89 56.632 55.662 0.970 1
1 1174 . 13 1 1 A 89 89 ASN CB C 89 39.749 38.681 1.068 1
1 1175 . 13 1 1 A 89 89 ASN N N 89 120.679 117.890 2.789 1
1 1177 . 13 1 1 A 90 90 ILE H H 90 8.373 8.309 0.064 1
1 1178 . 13 1 1 A 90 90 ILE HA H 90 3.840 3.894 -0.054 1
1 1188 . 13 1 1 A 90 90 ILE C C 90 176.191 177.693 -1.502 1
1 1189 . 13 1 1 A 90 90 ILE CA C 90 65.298 65.055 0.243 1
1 1190 . 13 1 1 A 90 90 ILE CB C 90 38.109 37.560 0.549 1
1 1194 . 13 1 1 A 90 90 ILE N N 90 120.840 119.512 1.328 1
1 1195 . 13 1 1 A 91 91 ARG H H 91 7.749 7.856 -0.107 1
1 1196 . 13 1 1 A 91 91 ARG HA H 91 2.077 3.232 -1.155 1
1 1203 . 13 1 1 A 91 91 ARG C C 91 178.063 177.851 0.212 1
1 1204 . 13 1 1 A 91 91 ARG CA C 91 58.500 58.879 -0.379 1
1 1205 . 13 1 1 A 91 91 ARG CB C 91 28.969 29.737 -0.768 1
1 1208 . 13 1 1 A 91 91 ARG N N 91 120.230 120.272 -0.042 1
1 1209 . 13 1 1 A 92 92 ASN H H 92 7.959 7.981 -0.022 1
1 1210 . 13 1 1 A 92 92 ASN HA H 92 4.167 4.409 -0.242 1
1 1215 . 13 1 1 A 92 92 ASN C C 92 177.689 177.724 -0.035 1
1 1216 . 13 1 1 A 92 92 ASN CA C 92 55.640 55.982 -0.342 1
1 1217 . 13 1 1 A 92 92 ASN CB C 92 37.644 38.567 -0.923 1
1 1218 . 13 1 1 A 92 92 ASN N N 92 115.405 117.848 -2.443 1
1 1220 . 13 1 1 A 93 93 ARG H H 93 7.872 8.286 -0.414 1
1 1221 . 13 1 1 A 93 93 ARG HA H 93 3.610 3.843 -0.233 1
1 1229 . 13 1 1 A 93 93 ARG C C 93 177.737 179.044 -1.307 1
1 1230 . 13 1 1 A 93 93 ARG CA C 93 57.263 58.852 -1.589 1
1 1231 . 13 1 1 A 93 93 ARG CB C 93 29.141 29.902 -0.761 1
1 1234 . 13 1 1 A 93 93 ARG N N 93 122.360 119.007 3.353 1
1 1236 . 13 1 1 A 94 94 TRP H H 94 8.411 8.976 -0.565 1
1 1237 . 13 1 1 A 94 94 TRP HA H 94 3.818 4.450 -0.632 1
1 1241 . 13 1 1 A 94 94 TRP N N 94 119.510 122.163 -2.653 1
1 1243 . 13 1 1 A 95 95 MET HA H 95 3.725 3.952 -0.227 1
1 1246 . 13 1 1 A 95 95 MET C C 95 178.580 178.436 0.144 1
1 1247 . 13 1 1 A 95 95 MET CA C 95 57.807 58.226 -0.419 1
1 1248 . 13 1 1 A 95 95 MET CB C 95 32.023 32.352 -0.329 1
1 1249 . 13 1 1 A 96 96 MET H H 96 7.580 7.564 0.016 1
1 1250 . 13 1 1 A 96 96 MET HA H 96 3.980 4.113 -0.133 1
1 1255 . 13 1 1 A 96 96 MET C C 96 178.344 177.885 0.459 1
1 1256 . 13 1 1 A 96 96 MET CA C 96 58.033 57.675 0.358 1
1 1257 . 13 1 1 A 96 96 MET CB C 96 31.783 32.286 -0.503 1
1 1259 . 13 1 1 A 96 96 MET N N 96 118.340 118.750 -0.410 1
1 1260 . 13 1 1 A 97 97 ILE H H 97 7.884 8.039 -0.155 1
1 1261 . 13 1 1 A 97 97 ILE HA H 97 3.583 3.870 -0.287 1
1 1271 . 13 1 1 A 97 97 ILE C C 97 178.154 177.812 0.342 1
1 1272 . 13 1 1 A 97 97 ILE CA C 97 63.656 63.792 -0.136 1
1 1273 . 13 1 1 A 97 97 ILE CB C 97 37.637 36.850 0.787 1
1 1277 . 13 1 1 A 97 97 ILE N N 97 120.158 118.469 1.689 1
1 1278 . 13 1 1 A 98 98 ALA H H 98 8.064 8.241 -0.177 1
1 1279 . 13 1 1 A 98 98 ALA HA H 98 3.515 3.840 -0.325 1
1 1283 . 13 1 1 A 98 98 ALA C C 98 180.224 179.724 0.500 1
1 1284 . 13 1 1 A 98 98 ALA CA C 98 54.283 54.290 -0.007 1
1 1285 . 13 1 1 A 98 98 ALA CB C 98 17.251 17.654 -0.403 1
1 1286 . 13 1 1 A 98 98 ALA N N 98 123.446 122.778 0.668 1
1 1287 . 13 1 1 A 99 99 ARG H H 99 7.623 7.617 0.006 1
1 1288 . 13 1 1 A 99 99 ARG HA H 99 3.934 3.883 0.051 1
1 1295 . 13 1 1 A 99 99 ARG C C 99 177.923 178.627 -0.704 1
1 1296 . 13 1 1 A 99 99 ARG CA C 99 57.968 58.402 -0.434 1
1 1297 . 13 1 1 A 99 99 ARG CB C 99 29.606 29.474 0.132 1
1 1300 . 13 1 1 A 99 99 ARG N N 99 117.538 118.816 -1.278 1
1 1301 . 13 1 1 A 100 100 HIS H H 100 7.797 7.139 0.658 1
1 1302 . 13 1 1 A 100 100 HIS HA H 100 4.409 4.327 0.082 1
1 1307 . 13 1 1 A 100 100 HIS C C 100 176.575 177.193 -0.618 1
1 1308 . 13 1 1 A 100 100 HIS CA C 100 57.109 59.291 -2.182 1
1 1309 . 13 1 1 A 100 100 HIS CB C 100 29.204 30.685 -1.481 1
1 1312 . 13 1 1 A 100 100 HIS N N 100 118.311 117.224 1.087 1
1 1313 . 13 1 1 A 101 101 ARG H H 101 8.057 7.221 0.836 1
1 1314 . 13 1 1 A 101 101 ARG HA H 101 4.062 3.815 0.247 1
1 1321 . 13 1 1 A 101 101 ARG C C 101 177.220 177.763 -0.543 1
1 1322 . 13 1 1 A 101 101 ARG CA C 101 57.556 58.442 -0.886 1
1 1323 . 13 1 1 A 101 101 ARG CB C 101 30.157 30.121 0.036 1
1 1326 . 13 1 1 A 101 101 ARG N N 101 119.935 118.737 1.198 1
1 1327 . 13 1 1 A 102 102 ALA H H 102 7.917 7.836 0.081 1
1 1328 . 13 1 1 A 102 102 ALA HA H 102 4.167 4.106 0.061 1
1 1332 . 13 1 1 A 102 102 ALA C C 102 178.532 177.834 0.698 1
1 1333 . 13 1 1 A 102 102 ALA CA C 102 53.103 52.893 0.210 1
1 1334 . 13 1 1 A 102 102 ALA CB C 102 18.447 18.000 0.447 1
1 1335 . 13 1 1 A 102 102 ALA N N 102 122.678 121.581 1.097 1
1 1336 . 13 1 1 A 103 103 LYS H H 103 7.884 7.634 0.250 1
1 1337 . 13 1 1 A 103 103 LYS HA H 103 4.121 4.107 0.014 1
1 1346 . 13 1 1 A 103 103 LYS C C 103 177.080 178.780 -1.700 1
1 1347 . 13 1 1 A 103 103 LYS CA C 103 56.856 57.898 -1.042 1
1 1348 . 13 1 1 A 103 103 LYS CB C 103 32.480 33.134 -0.654 1
1 1352 . 13 1 1 A 103 103 LYS N N 103 118.773 117.950 0.823 1
1 1353 . 13 1 1 A 104 104 HIS H H 104 8.118 7.684 0.434 1
1 1354 . 13 1 1 A 104 104 HIS HA H 104 4.560 4.463 0.097 1
1 1359 . 13 1 1 A 104 104 HIS C C 104 175.204 177.096 -1.892 1
1 1360 . 13 1 1 A 104 104 HIS CA C 104 55.932 57.291 -1.359 1
1 1361 . 13 1 1 A 104 104 HIS CB C 104 29.448 28.651 0.797 1
1 1364 . 13 1 1 A 104 104 HIS N N 104 118.685 117.119 1.566 1
1 1365 . 13 1 1 A 105 105 GLN H H 105 8.233 8.091 0.142 1
1 1366 . 13 1 1 A 105 105 GLN HA H 105 4.218 4.157 0.061 1
1 1373 . 13 1 1 A 105 105 GLN C C 105 176.172 178.259 -2.087 1
1 1374 . 13 1 1 A 105 105 GLN CA C 105 56.130 58.821 -2.691 1
1 1375 . 13 1 1 A 105 105 GLN CB C 105 28.976 28.793 0.183 1
1 1377 . 13 1 1 A 105 105 GLN N N 105 121.104 120.632 0.472 1
1 1379 . 13 1 1 A 106 106 LYS H H 106 8.346 8.049 0.297 1
1 1380 . 13 1 1 A 106 106 LYS HA H 106 4.239 4.099 0.140 1
1 1389 . 13 1 1 A 106 106 LYS C C 106 177.022 178.753 -1.731 1
1 1390 . 13 1 1 A 106 106 LYS CA C 106 56.647 58.312 -1.665 1
1 1391 . 13 1 1 A 106 106 LYS CB C 106 32.481 32.032 0.449 1
1 1395 . 13 1 1 A 106 106 LYS N N 106 122.274 118.739 3.535 1
1 16 . 14 1 1 A 2 2 VAL H H 2 8.319 8.114 0.205 1
1 17 . 14 1 1 A 2 2 VAL HA H 2 4.096 4.044 0.052 1
1 25 . 14 1 1 A 2 2 VAL C C 2 176.167 177.423 -1.256 1
1 26 . 14 1 1 A 2 2 VAL CA C 2 67.781 62.046 5.735 1
1 27 . 14 1 1 A 2 2 VAL CB C 2 32.484 31.608 0.876 1
1 30 . 14 1 1 A 2 2 VAL N N 2 122.596 122.552 0.044 1
1 31 . 14 1 1 A 3 3 LYS H H 3 8.470 8.534 -0.064 1
1 32 . 14 1 1 A 3 3 LYS HA H 3 4.327 3.892 0.435 1
1 41 . 14 1 1 A 3 3 LYS C C 3 176.713 176.995 -0.282 1
1 42 . 14 1 1 A 3 3 LYS CA C 3 56.391 59.877 -3.486 1
1 43 . 14 1 1 A 3 3 LYS CB C 3 32.723 32.230 0.493 1
1 47 . 14 1 1 A 3 3 LYS N N 3 127.359 124.229 3.130 1
1 48 . 14 1 1 A 4 4 PHE H H 4 8.471 7.299 1.172 1
1 49 . 14 1 1 A 4 4 PHE HA H 4 4.491 4.587 -0.096 1
1 57 . 14 1 1 A 4 4 PHE C C 4 177.923 175.227 2.696 1
1 58 . 14 1 1 A 4 4 PHE CA C 4 57.566 56.170 1.396 1
1 59 . 14 1 1 A 4 4 PHE CB C 4 39.751 40.150 -0.399 1
1 65 . 14 1 1 A 4 4 PHE N N 4 125.570 116.711 8.859 1
1 66 . 14 1 1 A 5 5 THR H H 5 8.880 8.458 0.422 1
1 67 . 14 1 1 A 5 5 THR HA H 5 4.490 4.622 -0.132 1
1 72 . 14 1 1 A 5 5 THR C C 5 175.297 175.804 -0.507 1
1 73 . 14 1 1 A 5 5 THR CA C 5 60.140 60.542 -0.402 1
1 74 . 14 1 1 A 5 5 THR CB C 5 70.922 70.424 0.498 1
1 76 . 14 1 1 A 5 5 THR N N 5 114.601 115.215 -0.614 1
1 77 . 14 1 1 A 6 6 GLU H H 6 9.000 9.086 -0.086 1
1 78 . 14 1 1 A 6 6 GLU HA H 6 4.142 4.123 0.019 1
1 83 . 14 1 1 A 6 6 GLU C C 6 179.326 178.964 0.362 1
1 84 . 14 1 1 A 6 6 GLU CA C 6 59.675 60.117 -0.442 1
1 85 . 14 1 1 A 6 6 GLU CB C 6 29.203 29.195 0.008 1
1 87 . 14 1 1 A 6 6 GLU N N 6 121.577 127.389 -5.812 1
1 88 . 14 1 1 A 7 7 GLU H H 7 8.658 8.075 0.583 1
1 89 . 14 1 1 A 7 7 GLU HA H 7 4.026 4.028 -0.002 1
1 94 . 14 1 1 A 7 7 GLU C C 7 179.616 179.292 0.324 1
1 95 . 14 1 1 A 7 7 GLU CA C 7 59.683 59.634 0.049 1
1 96 . 14 1 1 A 7 7 GLU CB C 7 28.972 29.178 -0.206 1
1 98 . 14 1 1 A 7 7 GLU N N 7 118.231 119.810 -1.579 1
1 99 . 14 1 1 A 8 8 GLU H H 8 7.930 8.201 -0.271 1
1 100 . 14 1 1 A 8 8 GLU HA H 8 3.955 4.134 -0.179 1
1 105 . 14 1 1 A 8 8 GLU C C 8 178.395 178.712 -0.317 1
1 106 . 14 1 1 A 8 8 GLU CA C 8 59.672 59.143 0.529 1
1 107 . 14 1 1 A 8 8 GLU CB C 8 31.318 29.732 1.586 1
1 109 . 14 1 1 A 8 8 GLU N N 8 121.169 119.406 1.763 1
1 110 . 14 1 1 A 9 9 ASP H H 9 8.507 8.083 0.424 1
1 111 . 14 1 1 A 9 9 ASP HA H 9 4.677 4.270 0.407 1
1 114 . 14 1 1 A 9 9 ASP C C 9 179.329 177.879 1.450 1
1 115 . 14 1 1 A 9 9 ASP CA C 9 57.562 57.045 0.517 1
1 116 . 14 1 1 A 9 9 ASP CB C 9 40.217 41.451 -1.234 1
1 117 . 14 1 1 A 9 9 ASP N N 9 121.164 120.147 1.017 1
1 118 . 14 1 1 A 10 10 LEU H H 10 8.042 7.691 0.351 1
1 119 . 14 1 1 A 10 10 LEU HA H 10 4.143 4.084 0.059 1
1 129 . 14 1 1 A 10 10 LEU C C 10 179.329 179.070 0.259 1
1 130 . 14 1 1 A 10 10 LEU CA C 10 57.796 57.399 0.397 1
1 131 . 14 1 1 A 10 10 LEU CB C 10 41.392 41.178 0.214 1
1 135 . 14 1 1 A 10 10 LEU N N 10 120.628 119.211 1.417 1
1 136 . 14 1 1 A 11 11 LYS H H 11 8.040 8.235 -0.195 1
1 137 . 14 1 1 A 11 11 LYS HA H 11 4.049 4.023 0.026 1
1 146 . 14 1 1 A 11 11 LYS C C 11 178.345 179.149 -0.804 1
1 147 . 14 1 1 A 11 11 LYS CA C 11 59.199 58.983 0.216 1
1 148 . 14 1 1 A 11 11 LYS CB C 11 32.488 31.814 0.674 1
1 152 . 14 1 1 A 11 11 LYS N N 11 121.016 118.880 2.136 1
1 153 . 14 1 1 A 12 12 LEU H H 12 8.865 8.160 0.705 1
1 154 . 14 1 1 A 12 12 LEU HA H 12 4.258 4.087 0.171 1
1 164 . 14 1 1 A 12 12 LEU C C 12 178.298 178.978 -0.680 1
1 165 . 14 1 1 A 12 12 LEU CA C 12 58.500 57.904 0.596 1
1 166 . 14 1 1 A 12 12 LEU CB C 12 41.389 41.221 0.168 1
1 169 . 14 1 1 A 12 12 LEU N N 12 120.138 120.740 -0.602 1
1 170 . 14 1 1 A 13 13 GLN H H 13 8.400 7.769 0.631 1
1 171 . 14 1 1 A 13 13 GLN HA H 13 4.097 4.121 -0.024 1
1 178 . 14 1 1 A 13 13 GLN C C 13 178.254 177.983 0.271 1
1 179 . 14 1 1 A 13 13 GLN CA C 13 59.693 59.468 0.225 1
1 180 . 14 1 1 A 13 13 GLN CB C 13 28.733 28.259 0.474 1
1 182 . 14 1 1 A 13 13 GLN N N 13 117.136 118.466 -1.330 1
1 184 . 14 1 1 A 14 14 GLN H H 14 8.175 7.329 0.846 1
1 185 . 14 1 1 A 14 14 GLN HA H 14 3.980 4.196 -0.216 1
1 192 . 14 1 1 A 14 14 GLN C C 14 179.518 178.490 1.028 1
1 193 . 14 1 1 A 14 14 GLN CA C 14 58.745 58.176 0.569 1
1 194 . 14 1 1 A 14 14 GLN CB C 14 28.034 28.928 -0.894 1
1 196 . 14 1 1 A 14 14 GLN N N 14 117.947 117.998 -0.051 1
1 198 . 14 1 1 A 15 15 LEU H H 15 8.721 8.557 0.164 1
1 199 . 14 1 1 A 15 15 LEU HA H 15 4.143 3.991 0.152 1
1 209 . 14 1 1 A 15 15 LEU C C 15 178.956 179.078 -0.122 1
1 210 . 14 1 1 A 15 15 LEU CA C 15 57.562 58.071 -0.509 1
1 211 . 14 1 1 A 15 15 LEU CB C 15 42.801 42.215 0.586 1
1 215 . 14 1 1 A 15 15 LEU N N 15 120.641 120.199 0.442 1
1 216 . 14 1 1 A 16 16 VAL H H 16 8.603 8.594 0.009 1
1 217 . 14 1 1 A 16 16 VAL HA H 16 3.230 3.331 -0.101 1
1 225 . 14 1 1 A 16 16 VAL C C 16 179.988 177.869 2.119 1
1 226 . 14 1 1 A 16 16 VAL CA C 16 65.733 67.016 -1.283 1
1 227 . 14 1 1 A 16 16 VAL CB C 16 30.609 31.255 -0.646 1
1 230 . 14 1 1 A 16 16 VAL N N 16 120.873 117.830 3.043 1
1 231 . 14 1 1 A 17 17 MET H H 17 8.058 7.909 0.149 1
1 232 . 14 1 1 A 17 17 MET HA H 17 4.050 4.208 -0.158 1
1 237 . 14 1 1 A 17 17 MET C C 17 177.501 178.346 -0.845 1
1 238 . 14 1 1 A 17 17 MET CA C 17 58.270 58.122 0.148 1
1 239 . 14 1 1 A 17 17 MET CB C 17 31.784 32.133 -0.349 1
1 241 . 14 1 1 A 17 17 MET N N 17 119.240 120.306 -1.066 1
1 242 . 14 1 1 A 18 18 ARG H H 18 7.406 7.876 -0.470 1
1 243 . 14 1 1 A 18 18 ARG HA H 18 3.957 3.879 0.078 1
1 250 . 14 1 1 A 18 18 ARG C C 18 177.691 177.160 0.531 1
1 251 . 14 1 1 A 18 18 ARG CA C 18 58.301 58.256 0.045 1
1 252 . 14 1 1 A 18 18 ARG CB C 18 30.842 29.736 1.106 1
1 255 . 14 1 1 A 18 18 ARG N N 18 117.487 120.547 -3.060 1
1 256 . 14 1 1 A 19 19 TYR H H 19 8.571 7.169 1.402 1
1 257 . 14 1 1 A 19 19 TYR HA H 19 4.490 4.478 0.012 1
1 264 . 14 1 1 A 19 19 TYR C C 19 176.706 175.841 0.865 1
1 265 . 14 1 1 A 19 19 TYR CA C 19 58.739 57.626 1.113 1
1 266 . 14 1 1 A 19 19 TYR CB C 19 39.044 38.604 0.440 1
1 271 . 14 1 1 A 19 19 TYR N N 19 115.284 115.415 -0.131 1
1 272 . 14 1 1 A 20 20 GLY H H 20 8.148 9.428 -1.280 1
1 273 . 14 1 1 A 20 20 GLY HA2 H 20 3.609 3.856 -0.247 1
1 274 . 14 1 1 A 20 20 GLY HA3 H 20 4.137 3.866 0.271 1
1 275 . 14 1 1 A 20 20 GLY C C 20 171.784 173.640 -1.856 1
1 276 . 14 1 1 A 20 20 GLY CA C 20 43.972 46.487 -2.515 1
1 277 . 14 1 1 A 20 20 GLY N N 20 110.830 108.394 2.436 1
1 278 . 14 1 1 A 21 21 ALA H H 21 7.886 7.512 0.374 1
1 279 . 14 1 1 A 21 21 ALA HA H 21 3.400 3.962 -0.562 1
1 283 . 14 1 1 A 21 21 ALA C C 21 176.002 176.925 -0.923 1
1 284 . 14 1 1 A 21 21 ALA CA C 21 49.825 51.058 -1.233 1
1 285 . 14 1 1 A 21 21 ALA CB C 21 17.960 18.536 -0.576 1
1 286 . 14 1 1 A 21 21 ALA N N 21 119.337 121.987 -2.650 1
1 287 . 14 1 1 A 22 22 LYS H H 22 7.424 7.646 -0.222 1
1 288 . 14 1 1 A 22 22 LYS HA H 22 4.258 4.604 -0.346 1
1 297 . 14 1 1 A 22 22 LYS C C 22 175.769 176.077 -0.308 1
1 298 . 14 1 1 A 22 22 LYS CA C 22 55.921 56.498 -0.577 1
1 299 . 14 1 1 A 22 22 LYS CB C 22 33.371 34.549 -1.178 1
1 303 . 14 1 1 A 22 22 LYS N N 22 115.793 114.379 1.414 1
1 304 . 14 1 1 A 23 23 ASP H H 23 7.724 7.502 0.222 1
1 305 . 14 1 1 A 23 23 ASP HA H 23 4.700 4.925 -0.225 1
1 308 . 14 1 1 A 23 23 ASP C C 23 176.142 176.243 -0.101 1
1 309 . 14 1 1 A 23 23 ASP CA C 23 51.704 52.988 -1.284 1
1 310 . 14 1 1 A 23 23 ASP CB C 23 39.514 40.773 -1.259 1
1 311 . 14 1 1 A 23 23 ASP N N 23 119.398 118.756 0.642 1
1 312 . 14 1 1 A 24 24 TRP H H 24 8.035 7.775 0.260 1
1 313 . 14 1 1 A 24 24 TRP HA H 24 4.258 4.287 -0.029 1
1 322 . 14 1 1 A 24 24 TRP C C 24 178.252 178.155 0.097 1
1 323 . 14 1 1 A 24 24 TRP CA C 24 58.736 59.593 -0.857 1
1 324 . 14 1 1 A 24 24 TRP CB C 24 28.970 28.479 0.491 1
1 330 . 14 1 1 A 24 24 TRP N N 24 123.130 120.310 2.820 1
1 332 . 14 1 1 A 25 25 ILE H H 25 8.092 7.751 0.341 1
1 333 . 14 1 1 A 25 25 ILE HA H 25 3.724 3.818 -0.094 1
1 343 . 14 1 1 A 25 25 ILE C C 25 177.806 178.008 -0.202 1
1 344 . 14 1 1 A 25 25 ILE CA C 25 65.060 64.739 0.321 1
1 345 . 14 1 1 A 25 25 ILE CB C 25 36.234 37.331 -1.097 1
1 349 . 14 1 1 A 25 25 ILE N N 25 121.518 115.597 5.921 1
1 350 . 14 1 1 A 26 26 ARG H H 26 7.503 7.813 -0.310 1
1 351 . 14 1 1 A 26 26 ARG HA H 26 3.864 3.931 -0.067 1
1 358 . 14 1 1 A 26 26 ARG C C 26 178.303 178.157 0.146 1
1 359 . 14 1 1 A 26 26 ARG CA C 26 58.267 59.309 -1.042 1
1 360 . 14 1 1 A 26 26 ARG CB C 26 29.680 30.353 -0.673 1
1 363 . 14 1 1 A 26 26 ARG N N 26 122.119 120.658 1.461 1
1 364 . 14 1 1 A 27 27 ILE H H 27 7.340 7.577 -0.237 1
1 365 . 14 1 1 A 27 27 ILE HA H 27 3.450 3.711 -0.261 1
1 375 . 14 1 1 A 27 27 ILE C C 27 177.689 178.484 -0.795 1
1 376 . 14 1 1 A 27 27 ILE CA C 27 63.893 65.255 -1.362 1
1 377 . 14 1 1 A 27 27 ILE CB C 27 36.474 37.300 -0.826 1
1 381 . 14 1 1 A 27 27 ILE N N 27 115.446 120.722 -5.276 1
1 382 . 14 1 1 A 28 28 SER H H 28 8.203 7.922 0.281 1
1 383 . 14 1 1 A 28 28 SER HA H 28 4.144 4.306 -0.162 1
1 386 . 14 1 1 A 28 28 SER C C 28 177.220 177.153 0.067 1
1 387 . 14 1 1 A 28 28 SER CA C 28 61.085 61.431 -0.346 1
1 388 . 14 1 1 A 28 28 SER CB C 28 63.421 63.114 0.307 1
1 389 . 14 1 1 A 28 28 SER N N 28 113.324 116.818 -3.494 1
1 390 . 14 1 1 A 29 29 GLN H H 29 8.177 7.500 0.677 1
1 391 . 14 1 1 A 29 29 GLN HA H 29 4.003 4.074 -0.071 1
1 398 . 14 1 1 A 29 29 GLN C C 29 178.910 179.220 -0.310 1
1 399 . 14 1 1 A 29 29 GLN CA C 29 58.503 58.872 -0.369 1
1 400 . 14 1 1 A 29 29 GLN CB C 29 27.796 28.180 -0.384 1
1 402 . 14 1 1 A 29 29 GLN N N 29 120.561 121.590 -1.029 1
1 404 . 14 1 1 A 30 30 LEU H H 30 7.494 7.348 0.146 1
1 405 . 14 1 1 A 30 30 LEU HA H 30 4.258 4.128 0.130 1
1 415 . 14 1 1 A 30 30 LEU C C 30 178.956 177.032 1.924 1
1 416 . 14 1 1 A 30 30 LEU CA C 30 55.675 56.938 -1.263 1
1 417 . 14 1 1 A 30 30 LEU CB C 30 42.559 42.823 -0.264 1
1 421 . 14 1 1 A 30 30 LEU N N 30 118.106 119.492 -1.386 1
1 422 . 14 1 1 A 31 31 MET H H 31 8.399 7.255 1.144 1
1 423 . 14 1 1 A 31 31 MET HA H 31 4.329 4.851 -0.522 1
1 428 . 14 1 1 A 31 31 MET C C 31 179.515 175.415 4.100 1
1 429 . 14 1 1 A 31 31 MET CA C 31 55.921 54.115 1.806 1
1 430 . 14 1 1 A 31 31 MET CB C 31 31.310 32.671 -1.361 1
1 432 . 14 1 1 A 31 31 MET N N 31 120.008 116.565 3.443 1
1 433 . 14 1 1 A 32 32 ILE H H 32 8.177 8.173 0.004 1
1 434 . 14 1 1 A 32 32 ILE HA H 32 3.423 4.074 -0.651 1
1 444 . 14 1 1 A 32 32 ILE C C 32 179.473 178.012 1.461 1
1 445 . 14 1 1 A 32 32 ILE CA C 32 67.639 63.347 4.292 1
1 446 . 14 1 1 A 32 32 ILE CB C 32 35.767 37.774 -2.007 1
1 450 . 14 1 1 A 32 32 ILE N N 32 114.338 119.904 -5.566 1
1 451 . 14 1 1 A 33 33 THR H H 33 8.957 7.747 1.210 1
1 452 . 14 1 1 A 33 33 THR HA H 33 4.143 4.224 -0.081 1
1 457 . 14 1 1 A 33 33 THR C C 33 174.361 174.534 -0.173 1
1 458 . 14 1 1 A 33 33 THR CA C 33 62.251 65.131 -2.880 1
1 459 . 14 1 1 A 33 33 THR CB C 33 68.581 68.666 -0.085 1
1 461 . 14 1 1 A 33 33 THR N N 33 110.164 115.286 -5.122 1
1 462 . 14 1 1 A 34 34 ARG H H 34 6.509 7.295 -0.786 1
1 463 . 14 1 1 A 34 34 ARG HA H 34 4.862 4.876 -0.014 1
1 470 . 14 1 1 A 34 34 ARG C C 34 174.922 174.707 0.215 1
1 471 . 14 1 1 A 34 34 ARG CA C 34 51.939 54.315 -2.376 1
1 472 . 14 1 1 A 34 34 ARG CB C 34 36.061 33.171 2.890 1
1 475 . 14 1 1 A 34 34 ARG N N 34 116.058 116.861 -0.803 1
1 476 . 14 1 1 A 35 35 ASN H H 35 8.733 8.884 -0.151 1
1 477 . 14 1 1 A 35 35 ASN HA H 35 4.810 4.996 -0.186 1
1 482 . 14 1 1 A 35 35 ASN C C 35 173.986 175.387 -1.401 1
1 483 . 14 1 1 A 35 35 ASN CA C 35 52.107 51.702 0.405 1
1 484 . 14 1 1 A 35 35 ASN CB C 35 36.636 38.194 -1.558 1
1 485 . 14 1 1 A 35 35 ASN N N 35 122.840 118.372 4.468 1
1 487 . 14 1 1 A 36 36 PRO HA H 36 4.197 4.649 -0.452 1
1 494 . 14 1 1 A 36 36 PRO C C 36 178.019 178.039 -0.020 1
1 495 . 14 1 1 A 36 36 PRO CA C 36 67.412 65.748 1.664 1
1 496 . 14 1 1 A 36 36 PRO CB C 36 32.018 31.830 0.188 1
1 499 . 14 1 1 A 37 37 ARG H H 37 7.804 8.886 -1.082 1
1 500 . 14 1 1 A 37 37 ARG HA H 37 3.749 3.856 -0.107 1
1 507 . 14 1 1 A 37 37 ARG C C 37 178.300 178.841 -0.541 1
1 508 . 14 1 1 A 37 37 ARG CA C 37 59.202 58.929 0.273 1
1 509 . 14 1 1 A 37 37 ARG CB C 37 29.435 29.529 -0.094 1
1 512 . 14 1 1 A 37 37 ARG N N 37 117.759 116.771 0.988 1
1 513 . 14 1 1 A 38 38 GLN H H 38 8.682 8.163 0.519 1
1 514 . 14 1 1 A 38 38 GLN HA H 38 4.043 4.069 -0.026 1
1 521 . 14 1 1 A 38 38 GLN C C 38 180.078 178.892 1.186 1
1 522 . 14 1 1 A 38 38 GLN CA C 38 58.506 59.309 -0.803 1
1 523 . 14 1 1 A 38 38 GLN CB C 38 29.431 28.855 0.576 1
1 525 . 14 1 1 A 38 38 GLN N N 38 117.504 118.435 -0.931 1
1 527 . 14 1 1 A 39 39 CYS H H 39 8.095 7.968 0.127 1
1 528 . 14 1 1 A 39 39 CYS HA H 39 4.059 4.168 -0.109 1
1 531 . 14 1 1 A 39 39 CYS C C 39 173.893 177.042 -3.149 1
1 532 . 14 1 1 A 39 39 CYS CA C 39 64.592 63.573 1.019 1
1 533 . 14 1 1 A 39 39 CYS CB C 39 27.328 26.775 0.553 1
1 534 . 14 1 1 A 39 39 CYS N N 39 116.291 118.602 -2.311 1
1 535 . 14 1 1 A 40 40 ARG H H 40 7.589 7.621 -0.032 1
1 536 . 14 1 1 A 40 40 ARG HA H 40 1.821 2.665 -0.844 1
1 543 . 14 1 1 A 40 40 ARG C C 40 178.204 178.751 -0.547 1
1 544 . 14 1 1 A 40 40 ARG CA C 40 58.264 58.861 -0.597 1
1 545 . 14 1 1 A 40 40 ARG CB C 40 29.440 29.140 0.300 1
1 548 . 14 1 1 A 40 40 ARG N N 40 121.272 121.901 -0.629 1
1 549 . 14 1 1 A 41 41 GLU H H 41 8.352 8.357 -0.005 1
1 550 . 14 1 1 A 41 41 GLU HA H 41 3.817 3.951 -0.134 1
1 555 . 14 1 1 A 41 41 GLU C C 41 178.718 179.634 -0.916 1
1 556 . 14 1 1 A 41 41 GLU CA C 41 58.971 59.399 -0.428 1
1 557 . 14 1 1 A 41 41 GLU CB C 41 28.972 29.249 -0.277 1
1 559 . 14 1 1 A 41 41 GLU N N 41 117.034 117.497 -0.463 1
1 560 . 14 1 1 A 42 42 ARG H H 42 7.755 7.677 0.078 1
1 561 . 14 1 1 A 42 42 ARG HA H 42 3.931 4.263 -0.332 1
1 568 . 14 1 1 A 42 42 ARG C C 42 179.333 178.613 0.720 1
1 569 . 14 1 1 A 42 42 ARG CA C 42 57.261 59.228 -1.967 1
1 570 . 14 1 1 A 42 42 ARG CB C 42 29.610 30.390 -0.780 1
1 573 . 14 1 1 A 42 42 ARG N N 42 119.603 120.014 -0.411 1
1 574 . 14 1 1 A 43 43 TRP H H 43 8.199 8.066 0.133 1
1 575 . 14 1 1 A 43 43 TRP HA H 43 4.292 4.373 -0.081 1
1 579 . 14 1 1 A 43 43 TRP C C 43 176.705 178.408 -1.703 1
1 580 . 14 1 1 A 43 43 TRP CA C 43 57.006 61.331 -4.325 1
1 581 . 14 1 1 A 43 43 TRP CB C 43 29.620 29.718 -0.098 1
1 582 . 14 1 1 A 43 43 TRP N N 43 119.355 122.145 -2.790 1
1 584 . 14 1 1 A 44 44 ASN H H 44 8.478 8.942 -0.464 1
1 585 . 14 1 1 A 44 44 ASN HA H 44 4.177 4.432 -0.255 1
1 590 . 14 1 1 A 44 44 ASN C C 44 176.986 177.467 -0.481 1
1 591 . 14 1 1 A 44 44 ASN CA C 44 55.457 56.165 -0.708 1
1 592 . 14 1 1 A 44 44 ASN CB C 44 38.347 37.698 0.649 1
1 593 . 14 1 1 A 44 44 ASN N N 44 113.530 117.435 -3.905 1
1 595 . 14 1 1 A 45 45 ASN H H 45 8.060 7.913 0.147 1
1 596 . 14 1 1 A 45 45 ASN HA H 45 4.630 4.802 -0.172 1
1 601 . 14 1 1 A 45 45 ASN C C 45 175.347 175.097 0.250 1
1 602 . 14 1 1 A 45 45 ASN CA C 45 53.350 53.766 -0.416 1
1 603 . 14 1 1 A 45 45 ASN CB C 45 39.047 38.676 0.371 1
1 604 . 14 1 1 A 45 45 ASN N N 45 112.540 117.049 -4.509 1
1 606 . 14 1 1 A 46 46 TYR H H 46 7.443 7.997 -0.554 1
1 607 . 14 1 1 A 46 46 TYR HA H 46 4.447 5.110 -0.663 1
1 614 . 14 1 1 A 46 46 TYR C C 46 175.439 175.031 0.408 1
1 615 . 14 1 1 A 46 46 TYR CA C 46 60.074 59.220 0.854 1
1 616 . 14 1 1 A 46 46 TYR CB C 46 40.383 40.473 -0.090 1
1 621 . 14 1 1 A 46 46 TYR N N 46 117.403 118.678 -1.275 1
1 622 . 14 1 1 A 47 47 ILE HA H 47 3.786 4.595 -0.809 1
1 632 . 14 1 1 A 47 47 ILE C C 47 175.440 173.733 1.707 1
1 633 . 14 1 1 A 47 47 ILE CA C 47 62.240 59.224 3.016 1
1 634 . 14 1 1 A 47 47 ILE CB C 47 38.670 40.909 -2.239 1
1 638 . 14 1 1 A 48 48 ASN H H 48 7.922 8.548 -0.626 1
1 639 . 14 1 1 A 48 48 ASN HA H 48 3.795 4.197 -0.402 1
1 642 . 14 1 1 A 48 48 ASN C C 48 174.640 174.769 -0.129 1
1 643 . 14 1 1 A 48 48 ASN N N 48 119.990 121.330 -1.340 1
1 645 . 14 1 1 A 49 49 PRO HA H 49 4.166 4.230 -0.064 1
1 652 . 14 1 1 A 49 49 PRO C C 49 177.408 177.057 0.351 1
1 653 . 14 1 1 A 49 49 PRO CA C 49 64.124 66.141 -2.017 1
1 654 . 14 1 1 A 49 49 PRO CB C 49 31.313 31.369 -0.056 1
1 657 . 14 1 1 A 50 50 ALA H H 50 7.595 7.790 -0.195 1
1 658 . 14 1 1 A 50 50 ALA HA H 50 4.128 4.492 -0.364 1
1 662 . 14 1 1 A 50 50 ALA C C 50 178.251 177.341 0.910 1
1 663 . 14 1 1 A 50 50 ALA CA C 50 52.642 51.355 1.287 1
1 664 . 14 1 1 A 50 50 ALA CB C 50 18.422 18.887 -0.465 1
1 665 . 14 1 1 A 50 50 ALA N N 50 120.036 117.895 2.141 1
1 666 . 14 1 1 A 51 51 LEU H H 51 7.586 8.276 -0.690 1
1 667 . 14 1 1 A 51 51 LEU HA H 51 4.119 4.044 0.075 1
1 677 . 14 1 1 A 51 51 LEU C C 51 177.686 178.727 -1.041 1
1 678 . 14 1 1 A 51 51 LEU CA C 51 55.219 57.425 -2.206 1
1 679 . 14 1 1 A 51 51 LEU CB C 51 41.883 41.380 0.503 1
1 683 . 14 1 1 A 51 51 LEU N N 51 118.197 122.797 -4.600 1
1 684 . 14 1 1 A 52 52 ARG H H 52 8.013 7.758 0.255 1
1 685 . 14 1 1 A 52 52 ARG HA H 52 4.334 4.095 0.239 1
1 692 . 14 1 1 A 52 52 ARG C C 52 176.658 176.405 0.253 1
1 693 . 14 1 1 A 52 52 ARG CA C 52 55.923 59.279 -3.356 1
1 694 . 14 1 1 A 52 52 ARG CB C 52 31.086 30.477 0.609 1
1 697 . 14 1 1 A 52 52 ARG N N 52 119.899 118.498 1.401 1
1 698 . 14 1 1 A 53 53 THR H H 53 8.187 7.642 0.545 1
1 699 . 14 1 1 A 53 53 THR HA H 53 4.345 4.537 -0.192 1
1 704 . 14 1 1 A 53 53 THR C C 53 173.892 172.423 1.469 1
1 705 . 14 1 1 A 53 53 THR CA C 53 60.611 60.894 -0.283 1
1 706 . 14 1 1 A 53 53 THR CB C 53 69.514 69.070 0.444 1
1 708 . 14 1 1 A 53 53 THR N N 53 113.907 112.609 1.298 1
1 709 . 14 1 1 A 54 54 ASP H H 54 8.430 8.965 -0.535 1
1 710 . 14 1 1 A 54 54 ASP HA H 54 4.810 5.197 -0.387 1
1 713 . 14 1 1 A 54 54 ASP C C 54 174.082 173.907 0.175 1
1 714 . 14 1 1 A 54 54 ASP CA C 54 52.578 51.476 1.102 1
1 715 . 14 1 1 A 54 54 ASP CB C 54 39.685 41.372 -1.687 1
1 716 . 14 1 1 A 54 54 ASP N N 54 123.174 126.990 -3.816 1
1 717 . 14 1 1 A 55 55 PRO HA H 55 4.561 4.402 0.159 1
1 724 . 14 1 1 A 55 55 PRO C C 55 177.127 176.662 0.465 1
1 725 . 14 1 1 A 55 55 PRO CA C 55 62.958 62.485 0.473 1
1 726 . 14 1 1 A 55 55 PRO CB C 55 32.013 32.189 -0.176 1
1 729 . 14 1 1 A 56 56 TRP H H 56 8.721 7.447 1.274 1
1 730 . 14 1 1 A 56 56 TRP HA H 56 4.351 4.967 -0.616 1
1 739 . 14 1 1 A 56 56 TRP C C 56 177.127 175.622 1.505 1
1 740 . 14 1 1 A 56 56 TRP CA C 56 57.796 56.238 1.558 1
1 741 . 14 1 1 A 56 56 TRP CB C 56 28.732 31.424 -2.692 1
1 747 . 14 1 1 A 56 56 TRP N N 56 124.713 120.533 4.180 1
1 749 . 14 1 1 A 57 57 SER H H 57 9.085 8.950 0.135 1
1 750 . 14 1 1 A 57 57 SER HA H 57 4.957 4.916 0.041 1
1 753 . 14 1 1 A 57 57 SER C C 57 173.562 174.634 -1.072 1
1 754 . 14 1 1 A 57 57 SER CA C 57 55.852 56.200 -0.348 1
1 755 . 14 1 1 A 57 57 SER CB C 57 63.824 65.625 -1.801 1
1 756 . 14 1 1 A 57 57 SER N N 57 122.041 114.955 7.086 1
1 757 . 14 1 1 A 58 58 PRO HA H 58 4.444 4.382 0.062 1
1 764 . 14 1 1 A 58 58 PRO C C 58 179.777 178.539 1.238 1
1 765 . 14 1 1 A 58 58 PRO CA C 58 65.071 65.022 0.049 1
1 766 . 14 1 1 A 58 58 PRO CB C 58 31.546 31.947 -0.401 1
1 769 . 14 1 1 A 59 59 GLU H H 59 8.788 8.438 0.350 1
1 770 . 14 1 1 A 59 59 GLU HA H 59 4.088 4.086 0.002 1
1 775 . 14 1 1 A 59 59 GLU C C 59 179.656 179.467 0.189 1
1 776 . 14 1 1 A 59 59 GLU CA C 59 60.373 60.166 0.207 1
1 777 . 14 1 1 A 59 59 GLU CB C 59 28.505 29.136 -0.631 1
1 779 . 14 1 1 A 59 59 GLU N N 59 117.546 118.122 -0.576 1
1 780 . 14 1 1 A 60 60 GLU H H 60 7.977 8.121 -0.144 1
1 781 . 14 1 1 A 60 60 GLU HA H 60 4.015 3.983 0.032 1
1 786 . 14 1 1 A 60 60 GLU C C 60 178.440 178.803 -0.363 1
1 787 . 14 1 1 A 60 60 GLU CA C 60 59.913 59.107 0.806 1
1 788 . 14 1 1 A 60 60 GLU CB C 60 31.541 28.554 2.987 1
1 790 . 14 1 1 A 60 60 GLU N N 60 122.264 120.086 2.178 1
1 791 . 14 1 1 A 61 61 ASP H H 61 8.267 7.978 0.289 1
1 792 . 14 1 1 A 61 61 ASP HA H 61 4.654 4.399 0.255 1
1 795 . 14 1 1 A 61 61 ASP C C 61 179.469 178.461 1.008 1
1 796 . 14 1 1 A 61 61 ASP CA C 61 57.562 57.591 -0.029 1
1 797 . 14 1 1 A 61 61 ASP CB C 61 39.987 41.455 -1.468 1
1 798 . 14 1 1 A 61 61 ASP N N 61 120.543 120.022 0.521 1
1 799 . 14 1 1 A 62 62 MET H H 62 8.139 8.970 -0.831 1
1 800 . 14 1 1 A 62 62 MET HA H 62 4.284 4.193 0.091 1
1 805 . 14 1 1 A 62 62 MET C C 62 178.811 178.128 0.683 1
1 806 . 14 1 1 A 62 62 MET CA C 62 58.505 58.709 -0.204 1
1 807 . 14 1 1 A 62 62 MET CB C 62 32.251 32.368 -0.117 1
1 809 . 14 1 1 A 62 62 MET N N 62 119.343 118.137 1.206 1
1 810 . 14 1 1 A 63 63 LEU H H 63 7.959 7.758 0.201 1
1 811 . 14 1 1 A 63 63 LEU HA H 63 4.212 4.109 0.103 1
1 821 . 14 1 1 A 63 63 LEU C C 63 177.642 178.287 -0.645 1
1 822 . 14 1 1 A 63 63 LEU CA C 63 57.562 56.959 0.603 1
1 823 . 14 1 1 A 63 63 LEU CB C 63 42.096 41.578 0.518 1
1 827 . 14 1 1 A 63 63 LEU N N 63 122.676 120.553 2.123 1
1 828 . 14 1 1 A 64 64 LEU H H 64 8.784 8.100 0.684 1
1 829 . 14 1 1 A 64 64 LEU HA H 64 4.119 3.985 0.134 1
1 839 . 14 1 1 A 64 64 LEU C C 64 177.515 178.135 -0.620 1
1 840 . 14 1 1 A 64 64 LEU CA C 64 58.738 58.270 0.468 1
1 841 . 14 1 1 A 64 64 LEU CB C 64 41.395 41.784 -0.389 1
1 845 . 14 1 1 A 64 64 LEU N N 64 120.877 120.125 0.752 1
1 846 . 14 1 1 A 65 65 ASP H H 65 8.085 8.402 -0.317 1
1 847 . 14 1 1 A 65 65 ASP HA H 65 4.630 4.357 0.273 1
1 850 . 14 1 1 A 65 65 ASP C C 65 179.391 178.519 0.872 1
1 851 . 14 1 1 A 65 65 ASP CA C 65 57.566 57.498 0.068 1
1 852 . 14 1 1 A 65 65 ASP CB C 65 41.626 40.563 1.063 1
1 853 . 14 1 1 A 65 65 ASP N N 65 118.583 117.675 0.908 1
1 854 . 14 1 1 A 66 66 GLN H H 66 8.336 7.882 0.454 1
1 855 . 14 1 1 A 66 66 GLN HA H 66 4.050 3.981 0.069 1
1 862 . 14 1 1 A 66 66 GLN C C 66 179.565 178.329 1.236 1
1 863 . 14 1 1 A 66 66 GLN CA C 66 58.739 59.047 -0.308 1
1 864 . 14 1 1 A 66 66 GLN CB C 66 28.502 28.729 -0.227 1
1 866 . 14 1 1 A 66 66 GLN N N 66 118.725 119.894 -1.169 1
1 868 . 14 1 1 A 67 67 LYS H H 67 9.126 8.180 0.946 1
1 869 . 14 1 1 A 67 67 LYS HA H 67 4.142 4.132 0.010 1
1 878 . 14 1 1 A 67 67 LYS C C 67 178.671 178.677 -0.006 1
1 879 . 14 1 1 A 67 67 LYS CA C 67 56.156 58.889 -2.733 1
1 880 . 14 1 1 A 67 67 LYS CB C 67 31.550 32.646 -1.096 1
1 884 . 14 1 1 A 67 67 LYS N N 67 117.220 118.923 -1.703 1
1 885 . 14 1 1 A 68 68 TYR H H 68 9.361 8.731 0.630 1
1 886 . 14 1 1 A 68 68 TYR HA H 68 3.819 4.004 -0.185 1
1 893 . 14 1 1 A 68 68 TYR C C 68 179.235 177.288 1.947 1
1 894 . 14 1 1 A 68 68 TYR CA C 68 61.547 62.030 -0.483 1
1 895 . 14 1 1 A 68 68 TYR CB C 68 37.881 38.416 -0.535 1
1 900 . 14 1 1 A 68 68 TYR N N 68 123.884 120.732 3.152 1
1 901 . 14 1 1 A 69 69 ALA H H 69 7.810 8.426 -0.616 1
1 902 . 14 1 1 A 69 69 ALA HA H 69 3.980 4.082 -0.102 1
1 906 . 14 1 1 A 69 69 ALA C C 69 178.673 179.183 -0.510 1
1 907 . 14 1 1 A 69 69 ALA CA C 69 54.755 55.248 -0.493 1
1 908 . 14 1 1 A 69 69 ALA CB C 69 17.253 18.582 -1.329 1
1 909 . 14 1 1 A 69 69 ALA N N 69 121.733 121.640 0.093 1
1 910 . 14 1 1 A 70 70 GLU H H 70 7.091 7.898 -0.807 1
1 911 . 14 1 1 A 70 70 GLU HA H 70 3.848 4.095 -0.247 1
1 916 . 14 1 1 A 70 70 GLU C C 70 178.018 177.612 0.406 1
1 917 . 14 1 1 A 70 70 GLU CA C 70 58.566 58.288 0.278 1
1 918 . 14 1 1 A 70 70 GLU CB C 70 30.609 30.313 0.296 1
1 920 . 14 1 1 A 70 70 GLU N N 70 115.850 116.803 -0.953 1
1 921 . 14 1 1 A 71 71 TYR H H 71 8.270 8.422 -0.152 1
1 922 . 14 1 1 A 71 71 TYR HA H 71 4.537 4.287 0.250 1
1 929 . 14 1 1 A 71 71 TYR C C 71 177.174 176.100 1.074 1
1 930 . 14 1 1 A 71 71 TYR CA C 71 57.796 59.239 -1.443 1
1 931 . 14 1 1 A 71 71 TYR CB C 71 40.219 38.745 1.474 1
1 936 . 14 1 1 A 71 71 TYR N N 71 114.509 116.586 -2.077 1
1 937 . 14 1 1 A 72 72 GLY H H 72 8.417 7.813 0.604 1
1 938 . 14 1 1 A 72 72 GLY HA2 H 72 3.720 2.528 1.192 1
1 939 . 14 1 1 A 72 72 GLY HA3 H 72 2.255 3.525 -1.270 1
1 940 . 14 1 1 A 72 72 GLY C C 72 172.111 173.545 -1.434 1
1 941 . 14 1 1 A 72 72 GLY CA C 72 43.439 43.564 -0.125 1
1 942 . 14 1 1 A 72 72 GLY N N 72 111.509 106.513 4.996 1
1 943 . 14 1 1 A 73 73 PRO HA H 73 2.587 2.932 -0.345 1
1 950 . 14 1 1 A 73 73 PRO C C 73 175.393 174.885 0.508 1
1 951 . 14 1 1 A 73 73 PRO CA C 73 62.018 62.705 -0.687 1
1 952 . 14 1 1 A 73 73 PRO CB C 73 28.033 31.574 -3.541 1
1 955 . 14 1 1 A 74 74 LYS H H 74 8.065 7.625 0.440 1
1 956 . 14 1 1 A 74 74 LYS HA H 74 4.259 4.261 -0.002 1
1 965 . 14 1 1 A 74 74 LYS C C 74 177.220 176.209 1.011 1
1 966 . 14 1 1 A 74 74 LYS CA C 74 52.641 54.526 -1.885 1
1 967 . 14 1 1 A 74 74 LYS CB C 74 30.145 30.144 0.001 1
1 971 . 14 1 1 A 74 74 LYS N N 74 125.996 119.555 6.441 1
1 972 . 14 1 1 A 75 75 TRP H H 75 6.735 6.880 -0.145 1
1 973 . 14 1 1 A 75 75 TRP HA H 75 4.305 4.384 -0.079 1
1 982 . 14 1 1 A 75 75 TRP C C 75 177.174 178.322 -1.148 1
1 983 . 14 1 1 A 75 75 TRP CA C 75 58.969 60.064 -1.095 1
1 984 . 14 1 1 A 75 75 TRP CB C 75 29.668 28.316 1.352 1
1 990 . 14 1 1 A 75 75 TRP N N 75 122.056 122.131 -0.075 1
1 992 . 14 1 1 A 76 76 ASN H H 76 8.732 8.242 0.490 1
1 993 . 14 1 1 A 76 76 ASN HA H 76 4.606 4.612 -0.006 1
1 998 . 14 1 1 A 76 76 ASN C C 76 177.830 177.736 0.094 1
1 999 . 14 1 1 A 76 76 ASN CA C 76 55.925 56.235 -0.310 1
1 1000 . 14 1 1 A 76 76 ASN CB C 76 37.876 38.337 -0.461 1
1 1001 . 14 1 1 A 76 76 ASN N N 76 114.266 119.052 -4.786 1
1 1003 . 14 1 1 A 77 77 LYS H H 77 7.401 7.914 -0.513 1
1 1004 . 14 1 1 A 77 77 LYS HA H 77 3.979 4.000 -0.021 1
1 1013 . 14 1 1 A 77 77 LYS C C 77 178.859 179.145 -0.286 1
1 1014 . 14 1 1 A 77 77 LYS CA C 77 57.800 58.440 -0.640 1
1 1015 . 14 1 1 A 77 77 LYS CB C 77 31.545 32.472 -0.927 1
1 1019 . 14 1 1 A 77 77 LYS N N 77 120.857 120.511 0.346 1
1 1020 . 14 1 1 A 78 78 ILE H H 78 7.754 7.679 0.075 1
1 1021 . 14 1 1 A 78 78 ILE HA H 78 3.679 3.672 0.007 1
1 1031 . 14 1 1 A 78 78 ILE C C 78 178.202 177.904 0.298 1
1 1032 . 14 1 1 A 78 78 ILE CA C 78 65.997 65.368 0.629 1
1 1033 . 14 1 1 A 78 78 ILE CB C 78 38.343 38.109 0.234 1
1 1037 . 14 1 1 A 78 78 ILE N N 78 118.290 121.179 -2.889 1
1 1038 . 14 1 1 A 79 79 SER H H 79 8.386 8.532 -0.146 1
1 1039 . 14 1 1 A 79 79 SER HA H 79 4.049 4.249 -0.200 1
1 1042 . 14 1 1 A 79 79 SER C C 79 175.627 176.553 -0.926 1
1 1043 . 14 1 1 A 79 79 SER CA C 79 61.084 61.504 -0.420 1
1 1044 . 14 1 1 A 79 79 SER CB C 79 62.720 62.593 0.127 1
1 1045 . 14 1 1 A 79 79 SER N N 79 114.363 115.026 -0.663 1
1 1046 . 14 1 1 A 80 80 LYS H H 80 7.017 7.929 -0.912 1
1 1047 . 14 1 1 A 80 80 LYS HA H 80 4.005 4.127 -0.122 1
1 1056 . 14 1 1 A 80 80 LYS C C 80 177.361 177.389 -0.028 1
1 1057 . 14 1 1 A 80 80 LYS CA C 80 57.098 57.815 -0.717 1
1 1058 . 14 1 1 A 80 80 LYS CB C 80 31.083 32.373 -1.290 1
1 1062 . 14 1 1 A 80 80 LYS N N 80 118.534 120.701 -2.167 1
1 1063 . 14 1 1 A 81 81 PHE H H 81 7.932 8.403 -0.471 1
1 1064 . 14 1 1 A 81 81 PHE HA H 81 4.467 4.345 0.122 1
1 1071 . 14 1 1 A 81 81 PHE C C 81 174.969 177.355 -2.386 1
1 1072 . 14 1 1 A 81 81 PHE CA C 81 58.500 60.330 -1.830 1
1 1073 . 14 1 1 A 81 81 PHE CB C 81 39.516 39.228 0.288 1
1 1078 . 14 1 1 A 81 81 PHE N N 81 114.880 117.258 -2.378 1
1 1079 . 14 1 1 A 82 82 LEU H H 82 7.487 7.203 0.284 1
1 1080 . 14 1 1 A 82 82 LEU HA H 82 4.666 4.297 0.369 1
1 1090 . 14 1 1 A 82 82 LEU C C 82 175.107 176.637 -1.530 1
1 1091 . 14 1 1 A 82 82 LEU CA C 82 52.875 56.605 -3.730 1
1 1092 . 14 1 1 A 82 82 LEU CB C 82 42.802 42.153 0.649 1
1 1096 . 14 1 1 A 82 82 LEU N N 82 122.945 118.901 4.044 1
1 1097 . 14 1 1 A 83 83 LYS H H 83 8.256 7.769 0.487 1
1 1098 . 14 1 1 A 83 83 LYS HA H 83 4.120 4.125 -0.005 1
1 1107 . 14 1 1 A 83 83 LYS C C 83 176.236 176.330 -0.094 1
1 1108 . 14 1 1 A 83 83 LYS CA C 83 56.630 57.719 -1.089 1
1 1109 . 14 1 1 A 83 83 LYS CB C 83 31.786 29.694 2.092 1
1 1113 . 14 1 1 A 83 83 LYS N N 83 118.856 116.153 2.703 1
1 1114 . 14 1 1 A 84 84 ASN H H 84 8.684 8.272 0.412 1
1 1115 . 14 1 1 A 84 84 ASN HA H 84 4.304 4.873 -0.569 1
1 1120 . 14 1 1 A 84 84 ASN C C 84 173.846 174.936 -1.090 1
1 1121 . 14 1 1 A 84 84 ASN CA C 84 53.816 53.475 0.341 1
1 1122 . 14 1 1 A 84 84 ASN CB C 84 37.176 40.466 -3.290 1
1 1123 . 14 1 1 A 84 84 ASN N N 84 116.099 115.295 0.804 1
1 1125 . 14 1 1 A 85 85 ARG H H 85 7.665 7.745 -0.080 1
1 1126 . 14 1 1 A 85 85 ARG HA H 85 4.675 4.961 -0.286 1
1 1132 . 14 1 1 A 85 85 ARG C C 85 175.529 174.214 1.315 1
1 1133 . 14 1 1 A 85 85 ARG CA C 85 53.112 54.141 -1.029 1
1 1134 . 14 1 1 A 85 85 ARG CB C 85 31.783 33.678 -1.895 1
1 1137 . 14 1 1 A 85 85 ARG N N 85 116.162 118.125 -1.963 1
1 1139 . 14 1 1 A 86 86 SER H H 86 8.864 8.567 0.297 1
1 1140 . 14 1 1 A 86 86 SER HA H 86 4.488 4.753 -0.265 1
1 1143 . 14 1 1 A 86 86 SER C C 86 174.407 174.209 0.198 1
1 1144 . 14 1 1 A 86 86 SER CA C 86 57.093 55.699 1.394 1
1 1145 . 14 1 1 A 86 86 SER CB C 86 64.840 65.153 -0.313 1
1 1146 . 14 1 1 A 86 86 SER N N 86 119.204 114.197 5.007 1
1 1147 . 14 1 1 A 87 87 ASP H H 87 8.784 8.931 -0.147 1
1 1148 . 14 1 1 A 87 87 ASP HA H 87 4.095 4.460 -0.365 1
1 1151 . 14 1 1 A 87 87 ASP C C 87 178.111 178.529 -0.418 1
1 1152 . 14 1 1 A 87 87 ASP CA C 87 57.801 56.932 0.869 1
1 1153 . 14 1 1 A 87 87 ASP CB C 87 39.056 39.609 -0.553 1
1 1154 . 14 1 1 A 87 87 ASP N N 87 121.415 123.402 -1.987 1
1 1155 . 14 1 1 A 88 88 ASN H H 88 8.491 7.614 0.877 1
1 1156 . 14 1 1 A 88 88 ASN HA H 88 4.166 4.484 -0.318 1
1 1161 . 14 1 1 A 88 88 ASN C C 88 176.842 177.435 -0.593 1
1 1162 . 14 1 1 A 88 88 ASN CA C 88 55.458 55.784 -0.326 1
1 1163 . 14 1 1 A 88 88 ASN CB C 88 38.103 37.700 0.403 1
1 1164 . 14 1 1 A 88 88 ASN N N 88 115.811 119.237 -3.426 1
1 1166 . 14 1 1 A 89 89 ASN H H 89 7.959 7.768 0.191 1
1 1167 . 14 1 1 A 89 89 ASN HA H 89 4.422 4.503 -0.081 1
1 1172 . 14 1 1 A 89 89 ASN C C 89 178.159 177.915 0.244 1
1 1173 . 14 1 1 A 89 89 ASN CA C 89 56.632 55.778 0.854 1
1 1174 . 14 1 1 A 89 89 ASN CB C 89 39.749 38.552 1.197 1
1 1175 . 14 1 1 A 89 89 ASN N N 89 120.679 117.107 3.572 1
1 1177 . 14 1 1 A 90 90 ILE H H 90 8.373 7.819 0.554 1
1 1178 . 14 1 1 A 90 90 ILE HA H 90 3.840 4.016 -0.176 1
1 1188 . 14 1 1 A 90 90 ILE C C 90 176.191 177.619 -1.428 1
1 1189 . 14 1 1 A 90 90 ILE CA C 90 65.298 64.905 0.393 1
1 1190 . 14 1 1 A 90 90 ILE CB C 90 38.109 37.384 0.725 1
1 1194 . 14 1 1 A 90 90 ILE N N 90 120.840 119.710 1.130 1
1 1195 . 14 1 1 A 91 91 ARG H H 91 7.749 8.484 -0.735 1
1 1196 . 14 1 1 A 91 91 ARG HA H 91 2.077 3.232 -1.155 1
1 1203 . 14 1 1 A 91 91 ARG C C 91 178.063 178.049 0.014 1
1 1204 . 14 1 1 A 91 91 ARG CA C 91 58.500 58.912 -0.412 1
1 1205 . 14 1 1 A 91 91 ARG CB C 91 28.969 29.742 -0.773 1
1 1208 . 14 1 1 A 91 91 ARG N N 91 120.230 120.298 -0.068 1
1 1209 . 14 1 1 A 92 92 ASN H H 92 7.959 7.865 0.094 1
1 1210 . 14 1 1 A 92 92 ASN HA H 92 4.167 4.441 -0.274 1
1 1215 . 14 1 1 A 92 92 ASN C C 92 177.689 177.395 0.294 1
1 1216 . 14 1 1 A 92 92 ASN CA C 92 55.640 56.113 -0.473 1
1 1217 . 14 1 1 A 92 92 ASN CB C 92 37.644 38.772 -1.128 1
1 1218 . 14 1 1 A 92 92 ASN N N 92 115.405 117.868 -2.463 1
1 1220 . 14 1 1 A 93 93 ARG H H 93 7.872 8.553 -0.681 1
1 1221 . 14 1 1 A 93 93 ARG HA H 93 3.610 3.870 -0.260 1
1 1229 . 14 1 1 A 93 93 ARG C C 93 177.737 178.585 -0.848 1
1 1230 . 14 1 1 A 93 93 ARG CA C 93 57.263 58.931 -1.668 1
1 1231 . 14 1 1 A 93 93 ARG CB C 93 29.141 29.503 -0.362 1
1 1234 . 14 1 1 A 93 93 ARG N N 93 122.360 119.934 2.426 1
1 1236 . 14 1 1 A 94 94 TRP H H 94 8.411 8.943 -0.532 1
1 1237 . 14 1 1 A 94 94 TRP HA H 94 3.818 4.436 -0.618 1
1 1241 . 14 1 1 A 94 94 TRP N N 94 119.510 121.985 -2.475 1
1 1243 . 14 1 1 A 95 95 MET HA H 95 3.725 3.855 -0.130 1
1 1246 . 14 1 1 A 95 95 MET C C 95 178.580 178.421 0.159 1
1 1247 . 14 1 1 A 95 95 MET CA C 95 57.807 58.254 -0.447 1
1 1248 . 14 1 1 A 95 95 MET CB C 95 32.023 32.018 0.005 1
1 1249 . 14 1 1 A 96 96 MET H H 96 7.580 7.783 -0.203 1
1 1250 . 14 1 1 A 96 96 MET HA H 96 3.980 4.209 -0.229 1
1 1255 . 14 1 1 A 96 96 MET C C 96 178.344 178.082 0.262 1
1 1256 . 14 1 1 A 96 96 MET CA C 96 58.033 57.740 0.293 1
1 1257 . 14 1 1 A 96 96 MET CB C 96 31.783 32.291 -0.508 1
1 1259 . 14 1 1 A 96 96 MET N N 96 118.340 118.965 -0.625 1
1 1260 . 14 1 1 A 97 97 ILE H H 97 7.884 8.040 -0.156 1
1 1261 . 14 1 1 A 97 97 ILE HA H 97 3.583 3.816 -0.233 1
1 1271 . 14 1 1 A 97 97 ILE C C 97 178.154 177.896 0.258 1
1 1272 . 14 1 1 A 97 97 ILE CA C 97 63.656 63.875 -0.219 1
1 1273 . 14 1 1 A 97 97 ILE CB C 97 37.637 36.895 0.742 1
1 1277 . 14 1 1 A 97 97 ILE N N 97 120.158 119.293 0.865 1
1 1278 . 14 1 1 A 98 98 ALA H H 98 8.064 8.491 -0.427 1
1 1279 . 14 1 1 A 98 98 ALA HA H 98 3.515 3.982 -0.467 1
1 1283 . 14 1 1 A 98 98 ALA C C 98 180.224 179.666 0.558 1
1 1284 . 14 1 1 A 98 98 ALA CA C 98 54.283 54.385 -0.102 1
1 1285 . 14 1 1 A 98 98 ALA CB C 98 17.251 17.862 -0.611 1
1 1286 . 14 1 1 A 98 98 ALA N N 98 123.446 122.597 0.849 1
1 1287 . 14 1 1 A 99 99 ARG H H 99 7.623 7.843 -0.220 1
1 1288 . 14 1 1 A 99 99 ARG HA H 99 3.934 3.942 -0.008 1
1 1295 . 14 1 1 A 99 99 ARG C C 99 177.923 178.622 -0.699 1
1 1296 . 14 1 1 A 99 99 ARG CA C 99 57.968 58.499 -0.531 1
1 1297 . 14 1 1 A 99 99 ARG CB C 99 29.606 29.700 -0.094 1
1 1300 . 14 1 1 A 99 99 ARG N N 99 117.538 119.146 -1.608 1
1 1301 . 14 1 1 A 100 100 HIS H H 100 7.797 8.024 -0.227 1
1 1302 . 14 1 1 A 100 100 HIS HA H 100 4.409 4.198 0.211 1
1 1307 . 14 1 1 A 100 100 HIS C C 100 176.575 176.923 -0.348 1
1 1308 . 14 1 1 A 100 100 HIS CA C 100 57.109 59.162 -2.053 1
1 1309 . 14 1 1 A 100 100 HIS CB C 100 29.204 29.869 -0.665 1
1 1312 . 14 1 1 A 100 100 HIS N N 100 118.311 119.328 -1.017 1
1 1313 . 14 1 1 A 101 101 ARG H H 101 8.057 7.357 0.700 1
1 1314 . 14 1 1 A 101 101 ARG HA H 101 4.062 3.924 0.138 1
1 1321 . 14 1 1 A 101 101 ARG C C 101 177.220 177.545 -0.325 1
1 1322 . 14 1 1 A 101 101 ARG CA C 101 57.556 58.231 -0.675 1
1 1323 . 14 1 1 A 101 101 ARG CB C 101 30.157 30.071 0.086 1
1 1326 . 14 1 1 A 101 101 ARG N N 101 119.935 118.187 1.748 1
1 1327 . 14 1 1 A 102 102 ALA H H 102 7.917 7.519 0.398 1
1 1328 . 14 1 1 A 102 102 ALA HA H 102 4.167 3.997 0.170 1
1 1332 . 14 1 1 A 102 102 ALA C C 102 178.532 178.093 0.439 1
1 1333 . 14 1 1 A 102 102 ALA CA C 102 53.103 53.084 0.019 1
1 1334 . 14 1 1 A 102 102 ALA CB C 102 18.447 18.210 0.237 1
1 1335 . 14 1 1 A 102 102 ALA N N 102 122.678 121.680 0.998 1
1 1336 . 14 1 1 A 103 103 LYS H H 103 7.884 7.350 0.534 1
1 1337 . 14 1 1 A 103 103 LYS HA H 103 4.121 4.089 0.032 1
1 1346 . 14 1 1 A 103 103 LYS C C 103 177.080 179.095 -2.015 1
1 1347 . 14 1 1 A 103 103 LYS CA C 103 56.856 57.843 -0.987 1
1 1348 . 14 1 1 A 103 103 LYS CB C 103 32.480 33.050 -0.570 1
1 1352 . 14 1 1 A 103 103 LYS N N 103 118.773 116.592 2.181 1
1 1353 . 14 1 1 A 104 104 HIS H H 104 8.118 7.794 0.324 1
1 1354 . 14 1 1 A 104 104 HIS HA H 104 4.560 4.417 0.143 1
1 1359 . 14 1 1 A 104 104 HIS C C 104 175.204 177.168 -1.964 1
1 1360 . 14 1 1 A 104 104 HIS CA C 104 55.932 57.669 -1.737 1
1 1361 . 14 1 1 A 104 104 HIS CB C 104 29.448 28.449 0.999 1
1 1364 . 14 1 1 A 104 104 HIS N N 104 118.685 117.075 1.610 1
1 1365 . 14 1 1 A 105 105 GLN H H 105 8.233 7.773 0.460 1
1 1366 . 14 1 1 A 105 105 GLN HA H 105 4.218 4.184 0.034 1
1 1373 . 14 1 1 A 105 105 GLN C C 105 176.172 176.748 -0.576 1
1 1374 . 14 1 1 A 105 105 GLN CA C 105 56.130 58.638 -2.508 1
1 1375 . 14 1 1 A 105 105 GLN CB C 105 28.976 28.528 0.448 1
1 1377 . 14 1 1 A 105 105 GLN N N 105 121.104 120.078 1.026 1
1 1379 . 14 1 1 A 106 106 LYS H H 106 8.346 7.212 1.134 1
1 1380 . 14 1 1 A 106 106 LYS HA H 106 4.239 4.505 -0.266 1
1 1389 . 14 1 1 A 106 106 LYS C C 106 177.022 176.662 0.360 1
1 1390 . 14 1 1 A 106 106 LYS CA C 106 56.647 57.185 -0.538 1
1 1391 . 14 1 1 A 106 106 LYS CB C 106 32.481 34.587 -2.106 1
1 1395 . 14 1 1 A 106 106 LYS N N 106 122.274 114.298 7.976 1
1 16 . 15 1 1 A 2 2 VAL H H 2 8.319 8.331 -0.012 1
1 17 . 15 1 1 A 2 2 VAL HA H 2 4.096 3.570 0.526 1
1 25 . 15 1 1 A 2 2 VAL C C 2 176.167 175.672 0.495 1
1 26 . 15 1 1 A 2 2 VAL CA C 2 67.781 63.513 4.268 1
1 27 . 15 1 1 A 2 2 VAL CB C 2 32.484 31.673 0.811 1
1 30 . 15 1 1 A 2 2 VAL N N 2 122.596 120.125 2.471 1
1 31 . 15 1 1 A 3 3 LYS H H 3 8.470 8.362 0.108 1
1 32 . 15 1 1 A 3 3 LYS HA H 3 4.327 4.462 -0.135 1
1 41 . 15 1 1 A 3 3 LYS C C 3 176.713 176.301 0.412 1
1 42 . 15 1 1 A 3 3 LYS CA C 3 56.391 56.552 -0.161 1
1 43 . 15 1 1 A 3 3 LYS CB C 3 32.723 34.561 -1.838 1
1 47 . 15 1 1 A 3 3 LYS N N 3 127.359 125.456 1.903 1
1 48 . 15 1 1 A 4 4 PHE H H 4 8.471 6.875 1.596 1
1 49 . 15 1 1 A 4 4 PHE HA H 4 4.491 4.559 -0.068 1
1 57 . 15 1 1 A 4 4 PHE C C 4 177.923 175.240 2.683 1
1 58 . 15 1 1 A 4 4 PHE CA C 4 57.566 56.049 1.517 1
1 59 . 15 1 1 A 4 4 PHE CB C 4 39.751 40.195 -0.444 1
1 65 . 15 1 1 A 4 4 PHE N N 4 125.570 117.272 8.298 1
1 66 . 15 1 1 A 5 5 THR H H 5 8.880 8.448 0.432 1
1 67 . 15 1 1 A 5 5 THR HA H 5 4.490 4.672 -0.182 1
1 72 . 15 1 1 A 5 5 THR C C 5 175.297 175.843 -0.546 1
1 73 . 15 1 1 A 5 5 THR CA C 5 60.140 60.646 -0.506 1
1 74 . 15 1 1 A 5 5 THR CB C 5 70.922 70.262 0.660 1
1 76 . 15 1 1 A 5 5 THR N N 5 114.601 115.120 -0.519 1
1 77 . 15 1 1 A 6 6 GLU H H 6 9.000 9.140 -0.140 1
1 78 . 15 1 1 A 6 6 GLU HA H 6 4.142 4.139 0.003 1
1 83 . 15 1 1 A 6 6 GLU C C 6 179.326 178.400 0.926 1
1 84 . 15 1 1 A 6 6 GLU CA C 6 59.675 60.143 -0.468 1
1 85 . 15 1 1 A 6 6 GLU CB C 6 29.203 29.253 -0.050 1
1 87 . 15 1 1 A 6 6 GLU N N 6 121.577 127.189 -5.612 1
1 88 . 15 1 1 A 7 7 GLU H H 7 8.658 8.229 0.429 1
1 89 . 15 1 1 A 7 7 GLU HA H 7 4.026 4.012 0.014 1
1 94 . 15 1 1 A 7 7 GLU C C 7 179.616 178.891 0.725 1
1 95 . 15 1 1 A 7 7 GLU CA C 7 59.683 59.455 0.228 1
1 96 . 15 1 1 A 7 7 GLU CB C 7 28.972 29.340 -0.368 1
1 98 . 15 1 1 A 7 7 GLU N N 7 118.231 120.154 -1.923 1
1 99 . 15 1 1 A 8 8 GLU H H 8 7.930 8.321 -0.391 1
1 100 . 15 1 1 A 8 8 GLU HA H 8 3.955 4.047 -0.092 1
1 105 . 15 1 1 A 8 8 GLU C C 8 178.395 178.091 0.304 1
1 106 . 15 1 1 A 8 8 GLU CA C 8 59.672 59.516 0.156 1
1 107 . 15 1 1 A 8 8 GLU CB C 8 31.318 29.151 2.167 1
1 109 . 15 1 1 A 8 8 GLU N N 8 121.169 119.932 1.237 1
1 110 . 15 1 1 A 9 9 ASP H H 9 8.507 8.045 0.462 1
1 111 . 15 1 1 A 9 9 ASP HA H 9 4.677 4.198 0.479 1
1 114 . 15 1 1 A 9 9 ASP C C 9 179.329 177.987 1.342 1
1 115 . 15 1 1 A 9 9 ASP CA C 9 57.562 57.017 0.545 1
1 116 . 15 1 1 A 9 9 ASP CB C 9 40.217 41.432 -1.215 1
1 117 . 15 1 1 A 9 9 ASP N N 9 121.164 119.932 1.232 1
1 118 . 15 1 1 A 10 10 LEU H H 10 8.042 7.645 0.397 1
1 119 . 15 1 1 A 10 10 LEU HA H 10 4.143 4.025 0.118 1
1 129 . 15 1 1 A 10 10 LEU C C 10 179.329 179.098 0.231 1
1 130 . 15 1 1 A 10 10 LEU CA C 10 57.796 57.314 0.482 1
1 131 . 15 1 1 A 10 10 LEU CB C 10 41.392 41.189 0.203 1
1 135 . 15 1 1 A 10 10 LEU N N 10 120.628 119.483 1.145 1
1 136 . 15 1 1 A 11 11 LYS H H 11 8.040 8.389 -0.349 1
1 137 . 15 1 1 A 11 11 LYS HA H 11 4.049 3.945 0.104 1
1 146 . 15 1 1 A 11 11 LYS C C 11 178.345 178.576 -0.231 1
1 147 . 15 1 1 A 11 11 LYS CA C 11 59.199 59.447 -0.248 1
1 148 . 15 1 1 A 11 11 LYS CB C 11 32.488 32.118 0.370 1
1 152 . 15 1 1 A 11 11 LYS N N 11 121.016 120.916 0.100 1
1 153 . 15 1 1 A 12 12 LEU H H 12 8.865 8.166 0.699 1
1 154 . 15 1 1 A 12 12 LEU HA H 12 4.258 3.931 0.327 1
1 164 . 15 1 1 A 12 12 LEU C C 12 178.298 179.000 -0.702 1
1 165 . 15 1 1 A 12 12 LEU CA C 12 58.500 57.966 0.534 1
1 166 . 15 1 1 A 12 12 LEU CB C 12 41.389 41.299 0.090 1
1 169 . 15 1 1 A 12 12 LEU N N 12 120.138 119.595 0.543 1
1 170 . 15 1 1 A 13 13 GLN H H 13 8.400 7.734 0.666 1
1 171 . 15 1 1 A 13 13 GLN HA H 13 4.097 3.962 0.135 1
1 178 . 15 1 1 A 13 13 GLN C C 13 178.254 177.887 0.367 1
1 179 . 15 1 1 A 13 13 GLN CA C 13 59.693 59.243 0.450 1
1 180 . 15 1 1 A 13 13 GLN CB C 13 28.733 28.387 0.346 1
1 182 . 15 1 1 A 13 13 GLN N N 13 117.136 118.312 -1.176 1
1 184 . 15 1 1 A 14 14 GLN H H 14 8.175 7.434 0.741 1
1 185 . 15 1 1 A 14 14 GLN HA H 14 3.980 4.147 -0.167 1
1 192 . 15 1 1 A 14 14 GLN C C 14 179.518 178.652 0.866 1
1 193 . 15 1 1 A 14 14 GLN CA C 14 58.745 58.116 0.629 1
1 194 . 15 1 1 A 14 14 GLN CB C 14 28.034 28.978 -0.944 1
1 196 . 15 1 1 A 14 14 GLN N N 14 117.947 118.145 -0.198 1
1 198 . 15 1 1 A 15 15 LEU H H 15 8.721 8.412 0.309 1
1 199 . 15 1 1 A 15 15 LEU HA H 15 4.143 3.941 0.202 1
1 209 . 15 1 1 A 15 15 LEU C C 15 178.956 179.041 -0.085 1
1 210 . 15 1 1 A 15 15 LEU CA C 15 57.562 58.067 -0.505 1
1 211 . 15 1 1 A 15 15 LEU CB C 15 42.801 42.258 0.543 1
1 215 . 15 1 1 A 15 15 LEU N N 15 120.641 120.154 0.487 1
1 216 . 15 1 1 A 16 16 VAL H H 16 8.603 8.463 0.140 1
1 217 . 15 1 1 A 16 16 VAL HA H 16 3.230 3.339 -0.109 1
1 225 . 15 1 1 A 16 16 VAL C C 16 179.988 178.109 1.879 1
1 226 . 15 1 1 A 16 16 VAL CA C 16 65.733 66.953 -1.220 1
1 227 . 15 1 1 A 16 16 VAL CB C 16 30.609 31.390 -0.781 1
1 230 . 15 1 1 A 16 16 VAL N N 16 120.873 117.624 3.249 1
1 231 . 15 1 1 A 17 17 MET H H 17 8.058 8.228 -0.170 1
1 232 . 15 1 1 A 17 17 MET HA H 17 4.050 4.214 -0.164 1
1 237 . 15 1 1 A 17 17 MET C C 17 177.501 178.389 -0.888 1
1 238 . 15 1 1 A 17 17 MET CA C 17 58.270 58.092 0.178 1
1 239 . 15 1 1 A 17 17 MET CB C 17 31.784 32.129 -0.345 1
1 241 . 15 1 1 A 17 17 MET N N 17 119.240 120.088 -0.848 1
1 242 . 15 1 1 A 18 18 ARG H H 18 7.406 7.868 -0.462 1
1 243 . 15 1 1 A 18 18 ARG HA H 18 3.957 3.895 0.062 1
1 250 . 15 1 1 A 18 18 ARG C C 18 177.691 177.167 0.524 1
1 251 . 15 1 1 A 18 18 ARG CA C 18 58.301 58.269 0.032 1
1 252 . 15 1 1 A 18 18 ARG CB C 18 30.842 29.926 0.916 1
1 255 . 15 1 1 A 18 18 ARG N N 18 117.487 120.527 -3.040 1
1 256 . 15 1 1 A 19 19 TYR H H 19 8.571 7.361 1.210 1
1 257 . 15 1 1 A 19 19 TYR HA H 19 4.490 4.504 -0.014 1
1 264 . 15 1 1 A 19 19 TYR C C 19 176.706 175.818 0.888 1
1 265 . 15 1 1 A 19 19 TYR CA C 19 58.739 57.648 1.091 1
1 266 . 15 1 1 A 19 19 TYR CB C 19 39.044 38.711 0.333 1
1 271 . 15 1 1 A 19 19 TYR N N 19 115.284 115.213 0.071 1
1 272 . 15 1 1 A 20 20 GLY H H 20 8.148 9.569 -1.421 1
1 273 . 15 1 1 A 20 20 GLY HA2 H 20 3.609 3.897 -0.288 1
1 274 . 15 1 1 A 20 20 GLY HA3 H 20 4.137 3.929 0.208 1
1 275 . 15 1 1 A 20 20 GLY C C 20 171.784 173.695 -1.911 1
1 276 . 15 1 1 A 20 20 GLY CA C 20 43.972 46.539 -2.567 1
1 277 . 15 1 1 A 20 20 GLY N N 20 110.830 108.520 2.310 1
1 278 . 15 1 1 A 21 21 ALA H H 21 7.886 7.755 0.131 1
1 279 . 15 1 1 A 21 21 ALA HA H 21 3.400 4.098 -0.698 1
1 283 . 15 1 1 A 21 21 ALA C C 21 176.002 177.193 -1.191 1
1 284 . 15 1 1 A 21 21 ALA CA C 21 49.825 51.089 -1.264 1
1 285 . 15 1 1 A 21 21 ALA CB C 21 17.960 18.265 -0.305 1
1 286 . 15 1 1 A 21 21 ALA N N 21 119.337 122.047 -2.710 1
1 287 . 15 1 1 A 22 22 LYS H H 22 7.424 7.822 -0.398 1
1 288 . 15 1 1 A 22 22 LYS HA H 22 4.258 4.623 -0.365 1
1 297 . 15 1 1 A 22 22 LYS C C 22 175.769 176.548 -0.779 1
1 298 . 15 1 1 A 22 22 LYS CA C 22 55.921 56.285 -0.364 1
1 299 . 15 1 1 A 22 22 LYS CB C 22 33.371 34.820 -1.449 1
1 303 . 15 1 1 A 22 22 LYS N N 22 115.793 116.460 -0.667 1
1 304 . 15 1 1 A 23 23 ASP H H 23 7.724 7.553 0.171 1
1 305 . 15 1 1 A 23 23 ASP HA H 23 4.700 4.927 -0.227 1
1 308 . 15 1 1 A 23 23 ASP C C 23 176.142 176.134 0.008 1
1 309 . 15 1 1 A 23 23 ASP CA C 23 51.704 53.172 -1.468 1
1 310 . 15 1 1 A 23 23 ASP CB C 23 39.514 40.212 -0.698 1
1 311 . 15 1 1 A 23 23 ASP N N 23 119.398 118.664 0.734 1
1 312 . 15 1 1 A 24 24 TRP H H 24 8.035 7.767 0.268 1
1 313 . 15 1 1 A 24 24 TRP HA H 24 4.258 4.270 -0.012 1
1 322 . 15 1 1 A 24 24 TRP C C 24 178.252 178.424 -0.172 1
1 323 . 15 1 1 A 24 24 TRP CA C 24 58.736 59.920 -1.184 1
1 324 . 15 1 1 A 24 24 TRP CB C 24 28.970 28.648 0.322 1
1 330 . 15 1 1 A 24 24 TRP N N 24 123.130 120.316 2.814 1
1 332 . 15 1 1 A 25 25 ILE H H 25 8.092 7.777 0.315 1
1 333 . 15 1 1 A 25 25 ILE HA H 25 3.724 3.816 -0.092 1
1 343 . 15 1 1 A 25 25 ILE C C 25 177.806 177.713 0.093 1
1 344 . 15 1 1 A 25 25 ILE CA C 25 65.060 64.692 0.368 1
1 345 . 15 1 1 A 25 25 ILE CB C 25 36.234 37.306 -1.072 1
1 349 . 15 1 1 A 25 25 ILE N N 25 121.518 115.700 5.818 1
1 350 . 15 1 1 A 26 26 ARG H H 26 7.503 7.660 -0.157 1
1 351 . 15 1 1 A 26 26 ARG HA H 26 3.864 3.989 -0.125 1
1 358 . 15 1 1 A 26 26 ARG C C 26 178.303 178.479 -0.176 1
1 359 . 15 1 1 A 26 26 ARG CA C 26 58.267 58.701 -0.434 1
1 360 . 15 1 1 A 26 26 ARG CB C 26 29.680 29.718 -0.038 1
1 363 . 15 1 1 A 26 26 ARG N N 26 122.119 120.952 1.167 1
1 364 . 15 1 1 A 27 27 ILE H H 27 7.340 7.792 -0.452 1
1 365 . 15 1 1 A 27 27 ILE HA H 27 3.450 3.716 -0.266 1
1 375 . 15 1 1 A 27 27 ILE C C 27 177.689 178.488 -0.799 1
1 376 . 15 1 1 A 27 27 ILE CA C 27 63.893 65.246 -1.353 1
1 377 . 15 1 1 A 27 27 ILE CB C 27 36.474 37.234 -0.760 1
1 381 . 15 1 1 A 27 27 ILE N N 27 115.446 119.970 -4.524 1
1 382 . 15 1 1 A 28 28 SER H H 28 8.203 8.053 0.150 1
1 383 . 15 1 1 A 28 28 SER HA H 28 4.144 4.300 -0.156 1
1 386 . 15 1 1 A 28 28 SER C C 28 177.220 177.302 -0.082 1
1 387 . 15 1 1 A 28 28 SER CA C 28 61.085 61.436 -0.351 1
1 388 . 15 1 1 A 28 28 SER CB C 28 63.421 63.136 0.285 1
1 389 . 15 1 1 A 28 28 SER N N 28 113.324 116.895 -3.571 1
1 390 . 15 1 1 A 29 29 GLN H H 29 8.177 7.308 0.869 1
1 391 . 15 1 1 A 29 29 GLN HA H 29 4.003 4.061 -0.058 1
1 398 . 15 1 1 A 29 29 GLN C C 29 178.910 179.130 -0.220 1
1 399 . 15 1 1 A 29 29 GLN CA C 29 58.503 58.862 -0.359 1
1 400 . 15 1 1 A 29 29 GLN CB C 29 27.796 28.258 -0.462 1
1 402 . 15 1 1 A 29 29 GLN N N 29 120.561 121.657 -1.096 1
1 404 . 15 1 1 A 30 30 LEU H H 30 7.494 7.421 0.073 1
1 405 . 15 1 1 A 30 30 LEU HA H 30 4.258 4.090 0.168 1
1 415 . 15 1 1 A 30 30 LEU C C 30 178.956 177.015 1.941 1
1 416 . 15 1 1 A 30 30 LEU CA C 30 55.675 57.251 -1.576 1
1 417 . 15 1 1 A 30 30 LEU CB C 30 42.559 42.285 0.274 1
1 421 . 15 1 1 A 30 30 LEU N N 30 118.106 119.698 -1.592 1
1 422 . 15 1 1 A 31 31 MET H H 31 8.399 7.198 1.201 1
1 423 . 15 1 1 A 31 31 MET HA H 31 4.329 4.853 -0.524 1
1 428 . 15 1 1 A 31 31 MET C C 31 179.515 176.397 3.118 1
1 429 . 15 1 1 A 31 31 MET CA C 31 55.921 54.033 1.888 1
1 430 . 15 1 1 A 31 31 MET CB C 31 31.310 32.541 -1.231 1
1 432 . 15 1 1 A 31 31 MET N N 31 120.008 116.276 3.732 1
1 433 . 15 1 1 A 32 32 ILE H H 32 8.177 8.295 -0.118 1
1 434 . 15 1 1 A 32 32 ILE HA H 32 3.423 4.156 -0.733 1
1 444 . 15 1 1 A 32 32 ILE C C 32 179.473 177.664 1.809 1
1 445 . 15 1 1 A 32 32 ILE CA C 32 67.639 63.585 4.054 1
1 446 . 15 1 1 A 32 32 ILE CB C 32 35.767 37.483 -1.716 1
1 450 . 15 1 1 A 32 32 ILE N N 32 114.338 122.578 -8.240 1
1 451 . 15 1 1 A 33 33 THR H H 33 8.957 7.735 1.222 1
1 452 . 15 1 1 A 33 33 THR HA H 33 4.143 4.181 -0.038 1
1 457 . 15 1 1 A 33 33 THR C C 33 174.361 174.607 -0.246 1
1 458 . 15 1 1 A 33 33 THR CA C 33 62.251 65.308 -3.057 1
1 459 . 15 1 1 A 33 33 THR CB C 33 68.581 68.575 0.006 1
1 461 . 15 1 1 A 33 33 THR N N 33 110.164 116.134 -5.970 1
1 462 . 15 1 1 A 34 34 ARG H H 34 6.509 7.379 -0.870 1
1 463 . 15 1 1 A 34 34 ARG HA H 34 4.862 4.883 -0.021 1
1 470 . 15 1 1 A 34 34 ARG C C 34 174.922 174.232 0.690 1
1 471 . 15 1 1 A 34 34 ARG CA C 34 51.939 54.121 -2.182 1
1 472 . 15 1 1 A 34 34 ARG CB C 34 36.061 33.548 2.513 1
1 475 . 15 1 1 A 34 34 ARG N N 34 116.058 116.891 -0.833 1
1 476 . 15 1 1 A 35 35 ASN H H 35 8.733 8.814 -0.081 1
1 477 . 15 1 1 A 35 35 ASN HA H 35 4.810 5.206 -0.396 1
1 482 . 15 1 1 A 35 35 ASN C C 35 173.986 175.497 -1.511 1
1 483 . 15 1 1 A 35 35 ASN CA C 35 52.107 50.602 1.505 1
1 484 . 15 1 1 A 35 35 ASN CB C 35 36.636 38.822 -2.186 1
1 485 . 15 1 1 A 35 35 ASN N N 35 122.840 117.921 4.919 1
1 487 . 15 1 1 A 36 36 PRO HA H 36 4.197 4.535 -0.338 1
1 494 . 15 1 1 A 36 36 PRO C C 36 178.019 178.820 -0.801 1
1 495 . 15 1 1 A 36 36 PRO CA C 36 67.412 65.776 1.636 1
1 496 . 15 1 1 A 36 36 PRO CB C 36 32.018 31.916 0.102 1
1 499 . 15 1 1 A 37 37 ARG H H 37 7.804 8.478 -0.674 1
1 500 . 15 1 1 A 37 37 ARG HA H 37 3.749 3.909 -0.160 1
1 507 . 15 1 1 A 37 37 ARG C C 37 178.300 179.060 -0.760 1
1 508 . 15 1 1 A 37 37 ARG CA C 37 59.202 58.839 0.363 1
1 509 . 15 1 1 A 37 37 ARG CB C 37 29.435 29.497 -0.062 1
1 512 . 15 1 1 A 37 37 ARG N N 37 117.759 117.945 -0.186 1
1 513 . 15 1 1 A 38 38 GLN H H 38 8.682 8.273 0.409 1
1 514 . 15 1 1 A 38 38 GLN HA H 38 4.043 4.152 -0.109 1
1 521 . 15 1 1 A 38 38 GLN C C 38 180.078 177.538 2.540 1
1 522 . 15 1 1 A 38 38 GLN CA C 38 58.506 59.029 -0.523 1
1 523 . 15 1 1 A 38 38 GLN CB C 38 29.431 28.948 0.483 1
1 525 . 15 1 1 A 38 38 GLN N N 38 117.504 118.313 -0.809 1
1 527 . 15 1 1 A 39 39 CYS H H 39 8.095 7.860 0.235 1
1 528 . 15 1 1 A 39 39 CYS HA H 39 4.059 4.405 -0.346 1
1 531 . 15 1 1 A 39 39 CYS C C 39 173.893 177.400 -3.507 1
1 532 . 15 1 1 A 39 39 CYS CA C 39 64.592 61.203 3.389 1
1 533 . 15 1 1 A 39 39 CYS CB C 39 27.328 27.830 -0.502 1
1 534 . 15 1 1 A 39 39 CYS N N 39 116.291 118.840 -2.549 1
1 535 . 15 1 1 A 40 40 ARG H H 40 7.589 7.766 -0.177 1
1 536 . 15 1 1 A 40 40 ARG HA H 40 1.821 2.557 -0.736 1
1 543 . 15 1 1 A 40 40 ARG C C 40 178.204 178.515 -0.311 1
1 544 . 15 1 1 A 40 40 ARG CA C 40 58.264 58.157 0.107 1
1 545 . 15 1 1 A 40 40 ARG CB C 40 29.440 28.940 0.500 1
1 548 . 15 1 1 A 40 40 ARG N N 40 121.272 121.379 -0.107 1
1 549 . 15 1 1 A 41 41 GLU H H 41 8.352 8.139 0.213 1
1 550 . 15 1 1 A 41 41 GLU HA H 41 3.817 4.049 -0.232 1
1 555 . 15 1 1 A 41 41 GLU C C 41 178.718 178.332 0.386 1
1 556 . 15 1 1 A 41 41 GLU CA C 41 58.971 58.808 0.163 1
1 557 . 15 1 1 A 41 41 GLU CB C 41 28.972 28.635 0.337 1
1 559 . 15 1 1 A 41 41 GLU N N 41 117.034 116.514 0.520 1
1 560 . 15 1 1 A 42 42 ARG H H 42 7.755 7.750 0.005 1
1 561 . 15 1 1 A 42 42 ARG HA H 42 3.931 4.257 -0.326 1
1 568 . 15 1 1 A 42 42 ARG C C 42 179.333 178.560 0.773 1
1 569 . 15 1 1 A 42 42 ARG CA C 42 57.261 59.096 -1.835 1
1 570 . 15 1 1 A 42 42 ARG CB C 42 29.610 30.288 -0.678 1
1 573 . 15 1 1 A 42 42 ARG N N 42 119.603 118.948 0.655 1
1 574 . 15 1 1 A 43 43 TRP H H 43 8.199 8.016 0.183 1
1 575 . 15 1 1 A 43 43 TRP HA H 43 4.292 4.382 -0.090 1
1 579 . 15 1 1 A 43 43 TRP C C 43 176.705 178.602 -1.897 1
1 580 . 15 1 1 A 43 43 TRP CA C 43 57.006 61.353 -4.347 1
1 581 . 15 1 1 A 43 43 TRP CB C 43 29.620 29.751 -0.131 1
1 582 . 15 1 1 A 43 43 TRP N N 43 119.355 122.149 -2.794 1
1 584 . 15 1 1 A 44 44 ASN H H 44 8.478 8.273 0.205 1
1 585 . 15 1 1 A 44 44 ASN HA H 44 4.177 4.381 -0.204 1
1 590 . 15 1 1 A 44 44 ASN C C 44 176.986 177.098 -0.112 1
1 591 . 15 1 1 A 44 44 ASN CA C 44 55.457 56.050 -0.593 1
1 592 . 15 1 1 A 44 44 ASN CB C 44 38.347 38.398 -0.051 1
1 593 . 15 1 1 A 44 44 ASN N N 44 113.530 118.606 -5.076 1
1 595 . 15 1 1 A 45 45 ASN H H 45 8.060 7.977 0.083 1
1 596 . 15 1 1 A 45 45 ASN HA H 45 4.630 4.720 -0.090 1
1 601 . 15 1 1 A 45 45 ASN C C 45 175.347 174.890 0.457 1
1 602 . 15 1 1 A 45 45 ASN CA C 45 53.350 53.630 -0.280 1
1 603 . 15 1 1 A 45 45 ASN CB C 45 39.047 38.840 0.207 1
1 604 . 15 1 1 A 45 45 ASN N N 45 112.540 114.032 -1.492 1
1 606 . 15 1 1 A 46 46 TYR H H 46 7.443 7.901 -0.458 1
1 607 . 15 1 1 A 46 46 TYR HA H 46 4.447 4.891 -0.444 1
1 614 . 15 1 1 A 46 46 TYR C C 46 175.439 175.075 0.364 1
1 615 . 15 1 1 A 46 46 TYR CA C 46 60.074 59.309 0.765 1
1 616 . 15 1 1 A 46 46 TYR CB C 46 40.383 40.551 -0.168 1
1 621 . 15 1 1 A 46 46 TYR N N 46 117.403 118.928 -1.525 1
1 622 . 15 1 1 A 47 47 ILE HA H 47 3.786 4.728 -0.942 1
1 632 . 15 1 1 A 47 47 ILE C C 47 175.440 174.167 1.273 1
1 633 . 15 1 1 A 47 47 ILE CA C 47 62.240 59.312 2.928 1
1 634 . 15 1 1 A 47 47 ILE CB C 47 38.670 41.080 -2.410 1
1 638 . 15 1 1 A 48 48 ASN H H 48 7.922 8.664 -0.742 1
1 639 . 15 1 1 A 48 48 ASN HA H 48 3.795 4.755 -0.960 1
1 642 . 15 1 1 A 48 48 ASN C C 48 174.640 175.486 -0.846 1
1 643 . 15 1 1 A 48 48 ASN N N 48 119.990 120.515 -0.525 1
1 645 . 15 1 1 A 49 49 PRO HA H 49 4.166 4.464 -0.298 1
1 652 . 15 1 1 A 49 49 PRO C C 49 177.408 176.398 1.010 1
1 653 . 15 1 1 A 49 49 PRO CA C 49 64.124 63.455 0.669 1
1 654 . 15 1 1 A 49 49 PRO CB C 49 31.313 32.342 -1.029 1
1 657 . 15 1 1 A 50 50 ALA H H 50 7.595 7.951 -0.356 1
1 658 . 15 1 1 A 50 50 ALA HA H 50 4.128 3.984 0.144 1
1 662 . 15 1 1 A 50 50 ALA C C 50 178.251 177.598 0.653 1
1 663 . 15 1 1 A 50 50 ALA CA C 50 52.642 52.982 -0.340 1
1 664 . 15 1 1 A 50 50 ALA CB C 50 18.422 17.338 1.084 1
1 665 . 15 1 1 A 50 50 ALA N N 50 120.036 120.239 -0.203 1
1 666 . 15 1 1 A 51 51 LEU H H 51 7.586 7.972 -0.386 1
1 667 . 15 1 1 A 51 51 LEU HA H 51 4.119 4.571 -0.452 1
1 677 . 15 1 1 A 51 51 LEU C C 51 177.686 177.661 0.025 1
1 678 . 15 1 1 A 51 51 LEU CA C 51 55.219 54.391 0.828 1
1 679 . 15 1 1 A 51 51 LEU CB C 51 41.883 41.728 0.155 1
1 683 . 15 1 1 A 51 51 LEU N N 51 118.197 116.118 2.079 1
1 684 . 15 1 1 A 52 52 ARG H H 52 8.013 8.350 -0.337 1
1 685 . 15 1 1 A 52 52 ARG HA H 52 4.334 4.164 0.170 1
1 692 . 15 1 1 A 52 52 ARG C C 52 176.658 176.380 0.278 1
1 693 . 15 1 1 A 52 52 ARG CA C 52 55.923 57.833 -1.910 1
1 694 . 15 1 1 A 52 52 ARG CB C 52 31.086 29.883 1.203 1
1 697 . 15 1 1 A 52 52 ARG N N 52 119.899 121.118 -1.219 1
1 698 . 15 1 1 A 53 53 THR H H 53 8.187 7.552 0.635 1
1 699 . 15 1 1 A 53 53 THR HA H 53 4.345 4.573 -0.228 1
1 704 . 15 1 1 A 53 53 THR C C 53 173.892 172.523 1.369 1
1 705 . 15 1 1 A 53 53 THR CA C 53 60.611 61.032 -0.421 1
1 706 . 15 1 1 A 53 53 THR CB C 53 69.514 69.099 0.415 1
1 708 . 15 1 1 A 53 53 THR N N 53 113.907 114.785 -0.878 1
1 709 . 15 1 1 A 54 54 ASP H H 54 8.430 8.829 -0.399 1
1 710 . 15 1 1 A 54 54 ASP HA H 54 4.810 5.209 -0.399 1
1 713 . 15 1 1 A 54 54 ASP C C 54 174.082 173.568 0.514 1
1 714 . 15 1 1 A 54 54 ASP CA C 54 52.578 51.547 1.031 1
1 715 . 15 1 1 A 54 54 ASP CB C 54 39.685 41.478 -1.793 1
1 716 . 15 1 1 A 54 54 ASP N N 54 123.174 127.388 -4.214 1
1 717 . 15 1 1 A 55 55 PRO HA H 55 4.561 4.443 0.118 1
1 724 . 15 1 1 A 55 55 PRO C C 55 177.127 176.728 0.399 1
1 725 . 15 1 1 A 55 55 PRO CA C 55 62.958 62.616 0.342 1
1 726 . 15 1 1 A 55 55 PRO CB C 55 32.013 32.153 -0.140 1
1 729 . 15 1 1 A 56 56 TRP H H 56 8.721 7.598 1.123 1
1 730 . 15 1 1 A 56 56 TRP HA H 56 4.351 4.958 -0.607 1
1 739 . 15 1 1 A 56 56 TRP C C 56 177.127 175.413 1.714 1
1 740 . 15 1 1 A 56 56 TRP CA C 56 57.796 56.267 1.529 1
1 741 . 15 1 1 A 56 56 TRP CB C 56 28.732 31.385 -2.653 1
1 747 . 15 1 1 A 56 56 TRP N N 56 124.713 120.373 4.340 1
1 749 . 15 1 1 A 57 57 SER H H 57 9.085 9.042 0.043 1
1 750 . 15 1 1 A 57 57 SER HA H 57 4.957 4.925 0.032 1
1 753 . 15 1 1 A 57 57 SER C C 57 173.562 174.692 -1.130 1
1 754 . 15 1 1 A 57 57 SER CA C 57 55.852 56.292 -0.440 1
1 755 . 15 1 1 A 57 57 SER CB C 57 63.824 65.932 -2.108 1
1 756 . 15 1 1 A 57 57 SER N N 57 122.041 114.719 7.322 1
1 757 . 15 1 1 A 58 58 PRO HA H 58 4.444 4.318 0.126 1
1 764 . 15 1 1 A 58 58 PRO C C 58 179.777 178.743 1.034 1
1 765 . 15 1 1 A 58 58 PRO CA C 58 65.071 65.162 -0.091 1
1 766 . 15 1 1 A 58 58 PRO CB C 58 31.546 31.951 -0.405 1
1 769 . 15 1 1 A 59 59 GLU H H 59 8.788 8.466 0.322 1
1 770 . 15 1 1 A 59 59 GLU HA H 59 4.088 4.106 -0.018 1
1 775 . 15 1 1 A 59 59 GLU C C 59 179.656 179.138 0.518 1
1 776 . 15 1 1 A 59 59 GLU CA C 59 60.373 59.902 0.471 1
1 777 . 15 1 1 A 59 59 GLU CB C 59 28.505 29.141 -0.636 1
1 779 . 15 1 1 A 59 59 GLU N N 59 117.546 117.211 0.335 1
1 780 . 15 1 1 A 60 60 GLU H H 60 7.977 8.090 -0.113 1
1 781 . 15 1 1 A 60 60 GLU HA H 60 4.015 4.082 -0.067 1
1 786 . 15 1 1 A 60 60 GLU C C 60 178.440 178.785 -0.345 1
1 787 . 15 1 1 A 60 60 GLU CA C 60 59.913 59.126 0.787 1
1 788 . 15 1 1 A 60 60 GLU CB C 60 31.541 28.871 2.670 1
1 790 . 15 1 1 A 60 60 GLU N N 60 122.264 119.836 2.428 1
1 791 . 15 1 1 A 61 61 ASP H H 61 8.267 8.225 0.042 1
1 792 . 15 1 1 A 61 61 ASP HA H 61 4.654 4.535 0.119 1
1 795 . 15 1 1 A 61 61 ASP C C 61 179.469 178.398 1.071 1
1 796 . 15 1 1 A 61 61 ASP CA C 61 57.562 57.684 -0.122 1
1 797 . 15 1 1 A 61 61 ASP CB C 61 39.987 41.521 -1.534 1
1 798 . 15 1 1 A 61 61 ASP N N 61 120.543 120.311 0.232 1
1 799 . 15 1 1 A 62 62 MET H H 62 8.139 8.462 -0.323 1
1 800 . 15 1 1 A 62 62 MET HA H 62 4.284 4.198 0.086 1
1 805 . 15 1 1 A 62 62 MET C C 62 178.811 178.205 0.606 1
1 806 . 15 1 1 A 62 62 MET CA C 62 58.505 58.333 0.172 1
1 807 . 15 1 1 A 62 62 MET CB C 62 32.251 32.457 -0.206 1
1 809 . 15 1 1 A 62 62 MET N N 62 119.343 118.337 1.006 1
1 810 . 15 1 1 A 63 63 LEU H H 63 7.959 7.685 0.274 1
1 811 . 15 1 1 A 63 63 LEU HA H 63 4.212 4.103 0.109 1
1 821 . 15 1 1 A 63 63 LEU C C 63 177.642 178.384 -0.742 1
1 822 . 15 1 1 A 63 63 LEU CA C 63 57.562 57.187 0.375 1
1 823 . 15 1 1 A 63 63 LEU CB C 63 42.096 41.692 0.404 1
1 827 . 15 1 1 A 63 63 LEU N N 63 122.676 122.979 -0.303 1
1 828 . 15 1 1 A 64 64 LEU H H 64 8.784 8.415 0.369 1
1 829 . 15 1 1 A 64 64 LEU HA H 64 4.119 4.108 0.011 1
1 839 . 15 1 1 A 64 64 LEU C C 64 177.515 178.085 -0.570 1
1 840 . 15 1 1 A 64 64 LEU CA C 64 58.738 57.721 1.017 1
1 841 . 15 1 1 A 64 64 LEU CB C 64 41.395 41.697 -0.302 1
1 845 . 15 1 1 A 64 64 LEU N N 64 120.877 120.542 0.335 1
1 846 . 15 1 1 A 65 65 ASP H H 65 8.085 8.842 -0.757 1
1 847 . 15 1 1 A 65 65 ASP HA H 65 4.630 4.477 0.153 1
1 850 . 15 1 1 A 65 65 ASP C C 65 179.391 178.313 1.078 1
1 851 . 15 1 1 A 65 65 ASP CA C 65 57.566 57.497 0.069 1
1 852 . 15 1 1 A 65 65 ASP CB C 65 41.626 42.056 -0.430 1
1 853 . 15 1 1 A 65 65 ASP N N 65 118.583 119.213 -0.630 1
1 854 . 15 1 1 A 66 66 GLN H H 66 8.336 7.945 0.391 1
1 855 . 15 1 1 A 66 66 GLN HA H 66 4.050 4.119 -0.069 1
1 862 . 15 1 1 A 66 66 GLN C C 66 179.565 178.599 0.966 1
1 863 . 15 1 1 A 66 66 GLN CA C 66 58.739 58.452 0.287 1
1 864 . 15 1 1 A 66 66 GLN CB C 66 28.502 28.532 -0.030 1
1 866 . 15 1 1 A 66 66 GLN N N 66 118.725 117.810 0.915 1
1 868 . 15 1 1 A 67 67 LYS H H 67 9.126 7.517 1.609 1
1 869 . 15 1 1 A 67 67 LYS HA H 67 4.142 4.052 0.090 1
1 878 . 15 1 1 A 67 67 LYS C C 67 178.671 178.778 -0.107 1
1 879 . 15 1 1 A 67 67 LYS CA C 67 56.156 58.901 -2.745 1
1 880 . 15 1 1 A 67 67 LYS CB C 67 31.550 32.745 -1.195 1
1 884 . 15 1 1 A 67 67 LYS N N 67 117.220 120.222 -3.002 1
1 885 . 15 1 1 A 68 68 TYR H H 68 9.361 8.727 0.634 1
1 886 . 15 1 1 A 68 68 TYR HA H 68 3.819 4.146 -0.327 1
1 893 . 15 1 1 A 68 68 TYR C C 68 179.235 177.849 1.386 1
1 894 . 15 1 1 A 68 68 TYR CA C 68 61.547 61.933 -0.386 1
1 895 . 15 1 1 A 68 68 TYR CB C 68 37.881 38.711 -0.830 1
1 900 . 15 1 1 A 68 68 TYR N N 68 123.884 120.918 2.966 1
1 901 . 15 1 1 A 69 69 ALA H H 69 7.810 7.982 -0.172 1
1 902 . 15 1 1 A 69 69 ALA HA H 69 3.980 4.023 -0.043 1
1 906 . 15 1 1 A 69 69 ALA C C 69 178.673 179.174 -0.501 1
1 907 . 15 1 1 A 69 69 ALA CA C 69 54.755 55.182 -0.427 1
1 908 . 15 1 1 A 69 69 ALA CB C 69 17.253 18.565 -1.312 1
1 909 . 15 1 1 A 69 69 ALA N N 69 121.733 121.692 0.041 1
1 910 . 15 1 1 A 70 70 GLU H H 70 7.091 7.666 -0.575 1
1 911 . 15 1 1 A 70 70 GLU HA H 70 3.848 4.039 -0.191 1
1 916 . 15 1 1 A 70 70 GLU C C 70 178.018 177.810 0.208 1
1 917 . 15 1 1 A 70 70 GLU CA C 70 58.566 58.276 0.290 1
1 918 . 15 1 1 A 70 70 GLU CB C 70 30.609 30.141 0.468 1
1 920 . 15 1 1 A 70 70 GLU N N 70 115.850 117.306 -1.456 1
1 921 . 15 1 1 A 71 71 TYR H H 71 8.270 7.687 0.583 1
1 922 . 15 1 1 A 71 71 TYR HA H 71 4.537 4.219 0.318 1
1 929 . 15 1 1 A 71 71 TYR C C 71 177.174 176.245 0.929 1
1 930 . 15 1 1 A 71 71 TYR CA C 71 57.796 60.229 -2.433 1
1 931 . 15 1 1 A 71 71 TYR CB C 71 40.219 38.747 1.472 1
1 936 . 15 1 1 A 71 71 TYR N N 71 114.509 117.791 -3.282 1
1 937 . 15 1 1 A 72 72 GLY H H 72 8.417 7.899 0.518 1
1 938 . 15 1 1 A 72 72 GLY HA2 H 72 3.720 2.853 0.867 1
1 939 . 15 1 1 A 72 72 GLY HA3 H 72 2.255 3.622 -1.367 1
1 940 . 15 1 1 A 72 72 GLY C C 72 172.111 174.208 -2.097 1
1 941 . 15 1 1 A 72 72 GLY CA C 72 43.439 43.666 -0.227 1
1 942 . 15 1 1 A 72 72 GLY N N 72 111.509 106.411 5.098 1
1 943 . 15 1 1 A 73 73 PRO HA H 73 2.587 2.705 -0.118 1
1 950 . 15 1 1 A 73 73 PRO C C 73 175.393 175.154 0.239 1
1 951 . 15 1 1 A 73 73 PRO CA C 73 62.018 62.911 -0.893 1
1 952 . 15 1 1 A 73 73 PRO CB C 73 28.033 30.966 -2.933 1
1 955 . 15 1 1 A 74 74 LYS H H 74 8.065 8.349 -0.284 1
1 956 . 15 1 1 A 74 74 LYS HA H 74 4.259 4.274 -0.015 1
1 965 . 15 1 1 A 74 74 LYS C C 74 177.220 176.315 0.905 1
1 966 . 15 1 1 A 74 74 LYS CA C 74 52.641 54.614 -1.973 1
1 967 . 15 1 1 A 74 74 LYS CB C 74 30.145 30.202 -0.057 1
1 971 . 15 1 1 A 74 74 LYS N N 74 125.996 118.477 7.519 1
1 972 . 15 1 1 A 75 75 TRP H H 75 6.735 7.039 -0.304 1
1 973 . 15 1 1 A 75 75 TRP HA H 75 4.305 4.375 -0.070 1
1 982 . 15 1 1 A 75 75 TRP C C 75 177.174 178.389 -1.215 1
1 983 . 15 1 1 A 75 75 TRP CA C 75 58.969 60.203 -1.234 1
1 984 . 15 1 1 A 75 75 TRP CB C 75 29.668 28.655 1.013 1
1 990 . 15 1 1 A 75 75 TRP N N 75 122.056 121.624 0.432 1
1 992 . 15 1 1 A 76 76 ASN H H 76 8.732 8.181 0.551 1
1 993 . 15 1 1 A 76 76 ASN HA H 76 4.606 4.538 0.068 1
1 998 . 15 1 1 A 76 76 ASN C C 76 177.830 177.775 0.055 1
1 999 . 15 1 1 A 76 76 ASN CA C 76 55.925 56.256 -0.331 1
1 1000 . 15 1 1 A 76 76 ASN CB C 76 37.876 37.827 0.049 1
1 1001 . 15 1 1 A 76 76 ASN N N 76 114.266 119.200 -4.934 1
1 1003 . 15 1 1 A 77 77 LYS H H 77 7.401 8.092 -0.691 1
1 1004 . 15 1 1 A 77 77 LYS HA H 77 3.979 3.962 0.017 1
1 1013 . 15 1 1 A 77 77 LYS C C 77 178.859 179.290 -0.431 1
1 1014 . 15 1 1 A 77 77 LYS CA C 77 57.800 58.724 -0.924 1
1 1015 . 15 1 1 A 77 77 LYS CB C 77 31.545 31.891 -0.346 1
1 1019 . 15 1 1 A 77 77 LYS N N 77 120.857 120.308 0.549 1
1 1020 . 15 1 1 A 78 78 ILE H H 78 7.754 7.751 0.003 1
1 1021 . 15 1 1 A 78 78 ILE HA H 78 3.679 3.768 -0.089 1
1 1031 . 15 1 1 A 78 78 ILE C C 78 178.202 178.113 0.089 1
1 1032 . 15 1 1 A 78 78 ILE CA C 78 65.997 65.416 0.581 1
1 1033 . 15 1 1 A 78 78 ILE CB C 78 38.343 38.192 0.151 1
1 1037 . 15 1 1 A 78 78 ILE N N 78 118.290 121.110 -2.820 1
1 1038 . 15 1 1 A 79 79 SER H H 79 8.386 8.489 -0.103 1
1 1039 . 15 1 1 A 79 79 SER HA H 79 4.049 4.312 -0.263 1
1 1042 . 15 1 1 A 79 79 SER C C 79 175.627 176.100 -0.473 1
1 1043 . 15 1 1 A 79 79 SER CA C 79 61.084 62.319 -1.235 1
1 1044 . 15 1 1 A 79 79 SER CB C 79 62.720 63.085 -0.365 1
1 1045 . 15 1 1 A 79 79 SER N N 79 114.363 116.408 -2.045 1
1 1046 . 15 1 1 A 80 80 LYS H H 80 7.017 7.834 -0.817 1
1 1047 . 15 1 1 A 80 80 LYS HA H 80 4.005 4.112 -0.107 1
1 1056 . 15 1 1 A 80 80 LYS C C 80 177.361 177.289 0.072 1
1 1057 . 15 1 1 A 80 80 LYS CA C 80 57.098 57.653 -0.555 1
1 1058 . 15 1 1 A 80 80 LYS CB C 80 31.083 32.358 -1.275 1
1 1062 . 15 1 1 A 80 80 LYS N N 80 118.534 120.256 -1.722 1
1 1063 . 15 1 1 A 81 81 PHE H H 81 7.932 8.288 -0.356 1
1 1064 . 15 1 1 A 81 81 PHE HA H 81 4.467 4.389 0.078 1
1 1071 . 15 1 1 A 81 81 PHE C C 81 174.969 176.532 -1.563 1
1 1072 . 15 1 1 A 81 81 PHE CA C 81 58.500 59.374 -0.874 1
1 1073 . 15 1 1 A 81 81 PHE CB C 81 39.516 38.869 0.647 1
1 1078 . 15 1 1 A 81 81 PHE N N 81 114.880 117.294 -2.414 1
1 1079 . 15 1 1 A 82 82 LEU H H 82 7.487 7.155 0.332 1
1 1080 . 15 1 1 A 82 82 LEU HA H 82 4.666 4.313 0.353 1
1 1090 . 15 1 1 A 82 82 LEU C C 82 175.107 177.542 -2.435 1
1 1091 . 15 1 1 A 82 82 LEU CA C 82 52.875 56.184 -3.309 1
1 1092 . 15 1 1 A 82 82 LEU CB C 82 42.802 42.226 0.576 1
1 1096 . 15 1 1 A 82 82 LEU N N 82 122.945 118.015 4.930 1
1 1097 . 15 1 1 A 83 83 LYS H H 83 8.256 8.127 0.129 1
1 1098 . 15 1 1 A 83 83 LYS HA H 83 4.120 3.957 0.163 1
1 1107 . 15 1 1 A 83 83 LYS C C 83 176.236 176.551 -0.315 1
1 1108 . 15 1 1 A 83 83 LYS CA C 83 56.630 57.747 -1.117 1
1 1109 . 15 1 1 A 83 83 LYS CB C 83 31.786 32.157 -0.371 1
1 1113 . 15 1 1 A 83 83 LYS N N 83 118.856 119.126 -0.270 1
1 1114 . 15 1 1 A 84 84 ASN H H 84 8.684 8.227 0.457 1
1 1115 . 15 1 1 A 84 84 ASN HA H 84 4.304 4.843 -0.539 1
1 1120 . 15 1 1 A 84 84 ASN C C 84 173.846 175.178 -1.332 1
1 1121 . 15 1 1 A 84 84 ASN CA C 84 53.816 53.427 0.389 1
1 1122 . 15 1 1 A 84 84 ASN CB C 84 37.176 40.830 -3.654 1
1 1123 . 15 1 1 A 84 84 ASN N N 84 116.099 116.457 -0.358 1
1 1125 . 15 1 1 A 85 85 ARG H H 85 7.665 7.846 -0.181 1
1 1126 . 15 1 1 A 85 85 ARG HA H 85 4.675 4.789 -0.114 1
1 1132 . 15 1 1 A 85 85 ARG C C 85 175.529 175.134 0.395 1
1 1133 . 15 1 1 A 85 85 ARG CA C 85 53.112 54.267 -1.155 1
1 1134 . 15 1 1 A 85 85 ARG CB C 85 31.783 32.917 -1.134 1
1 1137 . 15 1 1 A 85 85 ARG N N 85 116.162 118.290 -2.128 1
1 1139 . 15 1 1 A 86 86 SER H H 86 8.864 8.325 0.539 1
1 1140 . 15 1 1 A 86 86 SER HA H 86 4.488 5.040 -0.552 1
1 1143 . 15 1 1 A 86 86 SER C C 86 174.407 175.381 -0.974 1
1 1144 . 15 1 1 A 86 86 SER CA C 86 57.093 55.593 1.500 1
1 1145 . 15 1 1 A 86 86 SER CB C 86 64.840 66.512 -1.672 1
1 1146 . 15 1 1 A 86 86 SER N N 86 119.204 112.186 7.018 1
1 1147 . 15 1 1 A 87 87 ASP H H 87 8.784 8.867 -0.083 1
1 1148 . 15 1 1 A 87 87 ASP HA H 87 4.095 4.395 -0.300 1
1 1151 . 15 1 1 A 87 87 ASP C C 87 178.111 178.166 -0.055 1
1 1152 . 15 1 1 A 87 87 ASP CA C 87 57.801 56.847 0.954 1
1 1153 . 15 1 1 A 87 87 ASP CB C 87 39.056 39.977 -0.921 1
1 1154 . 15 1 1 A 87 87 ASP N N 87 121.415 122.086 -0.671 1
1 1155 . 15 1 1 A 88 88 ASN H H 88 8.491 7.833 0.658 1
1 1156 . 15 1 1 A 88 88 ASN HA H 88 4.166 4.468 -0.302 1
1 1161 . 15 1 1 A 88 88 ASN C C 88 176.842 177.332 -0.490 1
1 1162 . 15 1 1 A 88 88 ASN CA C 88 55.458 55.277 0.181 1
1 1163 . 15 1 1 A 88 88 ASN CB C 88 38.103 38.203 -0.100 1
1 1164 . 15 1 1 A 88 88 ASN N N 88 115.811 118.608 -2.797 1
1 1166 . 15 1 1 A 89 89 ASN H H 89 7.959 7.966 -0.007 1
1 1167 . 15 1 1 A 89 89 ASN HA H 89 4.422 4.455 -0.033 1
1 1172 . 15 1 1 A 89 89 ASN C C 89 178.159 177.880 0.279 1
1 1173 . 15 1 1 A 89 89 ASN CA C 89 56.632 55.682 0.950 1
1 1174 . 15 1 1 A 89 89 ASN CB C 89 39.749 38.452 1.297 1
1 1175 . 15 1 1 A 89 89 ASN N N 89 120.679 116.947 3.732 1
1 1177 . 15 1 1 A 90 90 ILE H H 90 8.373 8.249 0.124 1
1 1178 . 15 1 1 A 90 90 ILE HA H 90 3.840 4.004 -0.164 1
1 1188 . 15 1 1 A 90 90 ILE C C 90 176.191 177.635 -1.444 1
1 1189 . 15 1 1 A 90 90 ILE CA C 90 65.298 64.814 0.484 1
1 1190 . 15 1 1 A 90 90 ILE CB C 90 38.109 37.532 0.577 1
1 1194 . 15 1 1 A 90 90 ILE N N 90 120.840 119.801 1.039 1
1 1195 . 15 1 1 A 91 91 ARG H H 91 7.749 7.904 -0.155 1
1 1196 . 15 1 1 A 91 91 ARG HA H 91 2.077 3.174 -1.097 1
1 1203 . 15 1 1 A 91 91 ARG C C 91 178.063 177.776 0.287 1
1 1204 . 15 1 1 A 91 91 ARG CA C 91 58.500 58.885 -0.385 1
1 1205 . 15 1 1 A 91 91 ARG CB C 91 28.969 29.692 -0.723 1
1 1208 . 15 1 1 A 91 91 ARG N N 91 120.230 120.127 0.103 1
1 1209 . 15 1 1 A 92 92 ASN H H 92 7.959 7.675 0.284 1
1 1210 . 15 1 1 A 92 92 ASN HA H 92 4.167 4.410 -0.243 1
1 1215 . 15 1 1 A 92 92 ASN C C 92 177.689 177.736 -0.047 1
1 1216 . 15 1 1 A 92 92 ASN CA C 92 55.640 55.977 -0.337 1
1 1217 . 15 1 1 A 92 92 ASN CB C 92 37.644 38.579 -0.935 1
1 1218 . 15 1 1 A 92 92 ASN N N 92 115.405 117.846 -2.441 1
1 1220 . 15 1 1 A 93 93 ARG H H 93 7.872 8.151 -0.279 1
1 1221 . 15 1 1 A 93 93 ARG HA H 93 3.610 3.839 -0.229 1
1 1229 . 15 1 1 A 93 93 ARG C C 93 177.737 178.908 -1.171 1
1 1230 . 15 1 1 A 93 93 ARG CA C 93 57.263 58.869 -1.606 1
1 1231 . 15 1 1 A 93 93 ARG CB C 93 29.141 29.465 -0.324 1
1 1234 . 15 1 1 A 93 93 ARG N N 93 122.360 119.726 2.634 1
1 1236 . 15 1 1 A 94 94 TRP H H 94 8.411 8.855 -0.444 1
1 1237 . 15 1 1 A 94 94 TRP HA H 94 3.818 4.332 -0.514 1
1 1241 . 15 1 1 A 94 94 TRP N N 94 119.510 122.129 -2.619 1
1 1243 . 15 1 1 A 95 95 MET HA H 95 3.725 4.121 -0.396 1
1 1246 . 15 1 1 A 95 95 MET C C 95 178.580 178.498 0.082 1
1 1247 . 15 1 1 A 95 95 MET CA C 95 57.807 58.286 -0.479 1
1 1248 . 15 1 1 A 95 95 MET CB C 95 32.023 32.341 -0.318 1
1 1249 . 15 1 1 A 96 96 MET H H 96 7.580 7.388 0.192 1
1 1250 . 15 1 1 A 96 96 MET HA H 96 3.980 4.218 -0.238 1
1 1255 . 15 1 1 A 96 96 MET C C 96 178.344 178.008 0.336 1
1 1256 . 15 1 1 A 96 96 MET CA C 96 58.033 57.756 0.277 1
1 1257 . 15 1 1 A 96 96 MET CB C 96 31.783 32.297 -0.514 1
1 1259 . 15 1 1 A 96 96 MET N N 96 118.340 118.924 -0.584 1
1 1260 . 15 1 1 A 97 97 ILE H H 97 7.884 7.663 0.221 1
1 1261 . 15 1 1 A 97 97 ILE HA H 97 3.583 3.810 -0.227 1
1 1271 . 15 1 1 A 97 97 ILE C C 97 178.154 177.773 0.381 1
1 1272 . 15 1 1 A 97 97 ILE CA C 97 63.656 63.818 -0.162 1
1 1273 . 15 1 1 A 97 97 ILE CB C 97 37.637 36.773 0.864 1
1 1277 . 15 1 1 A 97 97 ILE N N 97 120.158 118.489 1.669 1
1 1278 . 15 1 1 A 98 98 ALA H H 98 8.064 8.231 -0.167 1
1 1279 . 15 1 1 A 98 98 ALA HA H 98 3.515 3.708 -0.193 1
1 1283 . 15 1 1 A 98 98 ALA C C 98 180.224 179.688 0.536 1
1 1284 . 15 1 1 A 98 98 ALA CA C 98 54.283 54.169 0.114 1
1 1285 . 15 1 1 A 98 98 ALA CB C 98 17.251 17.370 -0.119 1
1 1286 . 15 1 1 A 98 98 ALA N N 98 123.446 122.577 0.869 1
1 1287 . 15 1 1 A 99 99 ARG H H 99 7.623 7.834 -0.211 1
1 1288 . 15 1 1 A 99 99 ARG HA H 99 3.934 4.011 -0.077 1
1 1295 . 15 1 1 A 99 99 ARG C C 99 177.923 178.511 -0.588 1
1 1296 . 15 1 1 A 99 99 ARG CA C 99 57.968 58.497 -0.529 1
1 1297 . 15 1 1 A 99 99 ARG CB C 99 29.606 29.800 -0.194 1
1 1300 . 15 1 1 A 99 99 ARG N N 99 117.538 118.945 -1.407 1
1 1301 . 15 1 1 A 100 100 HIS H H 100 7.797 7.805 -0.008 1
1 1302 . 15 1 1 A 100 100 HIS HA H 100 4.409 4.271 0.138 1
1 1307 . 15 1 1 A 100 100 HIS C C 100 176.575 177.027 -0.452 1
1 1308 . 15 1 1 A 100 100 HIS CA C 100 57.109 58.997 -1.888 1
1 1309 . 15 1 1 A 100 100 HIS CB C 100 29.204 29.942 -0.738 1
1 1312 . 15 1 1 A 100 100 HIS N N 100 118.311 119.256 -0.945 1
1 1313 . 15 1 1 A 101 101 ARG H H 101 8.057 7.386 0.671 1
1 1314 . 15 1 1 A 101 101 ARG HA H 101 4.062 3.906 0.156 1
1 1321 . 15 1 1 A 101 101 ARG C C 101 177.220 178.323 -1.103 1
1 1322 . 15 1 1 A 101 101 ARG CA C 101 57.556 58.323 -0.767 1
1 1323 . 15 1 1 A 101 101 ARG CB C 101 30.157 30.037 0.120 1
1 1326 . 15 1 1 A 101 101 ARG N N 101 119.935 118.090 1.845 1
1 1327 . 15 1 1 A 102 102 ALA H H 102 7.917 7.620 0.297 1
1 1328 . 15 1 1 A 102 102 ALA HA H 102 4.167 4.182 -0.015 1
1 1332 . 15 1 1 A 102 102 ALA C C 102 178.532 178.462 0.070 1
1 1333 . 15 1 1 A 102 102 ALA CA C 102 53.103 54.123 -1.020 1
1 1334 . 15 1 1 A 102 102 ALA CB C 102 18.447 18.277 0.170 1
1 1335 . 15 1 1 A 102 102 ALA N N 102 122.678 122.034 0.644 1
1 1336 . 15 1 1 A 103 103 LYS H H 103 7.884 7.702 0.182 1
1 1337 . 15 1 1 A 103 103 LYS HA H 103 4.121 4.196 -0.075 1
1 1346 . 15 1 1 A 103 103 LYS C C 103 177.080 178.799 -1.719 1
1 1347 . 15 1 1 A 103 103 LYS CA C 103 56.856 58.153 -1.297 1
1 1348 . 15 1 1 A 103 103 LYS CB C 103 32.480 33.198 -0.718 1
1 1352 . 15 1 1 A 103 103 LYS N N 103 118.773 116.824 1.949 1
1 1353 . 15 1 1 A 104 104 HIS H H 104 8.118 8.048 0.070 1
1 1354 . 15 1 1 A 104 104 HIS HA H 104 4.560 4.341 0.219 1
1 1359 . 15 1 1 A 104 104 HIS C C 104 175.204 177.365 -2.161 1
1 1360 . 15 1 1 A 104 104 HIS CA C 104 55.932 60.027 -4.095 1
1 1361 . 15 1 1 A 104 104 HIS CB C 104 29.448 29.068 0.380 1
1 1364 . 15 1 1 A 104 104 HIS N N 104 118.685 118.521 0.164 1
1 1365 . 15 1 1 A 105 105 GLN H H 105 8.233 7.883 0.350 1
1 1366 . 15 1 1 A 105 105 GLN HA H 105 4.218 4.020 0.198 1
1 1373 . 15 1 1 A 105 105 GLN C C 105 176.172 178.381 -2.209 1
1 1374 . 15 1 1 A 105 105 GLN CA C 105 56.130 58.778 -2.648 1
1 1375 . 15 1 1 A 105 105 GLN CB C 105 28.976 28.661 0.315 1
1 1377 . 15 1 1 A 105 105 GLN N N 105 121.104 120.391 0.713 1
1 1379 . 15 1 1 A 106 106 LYS H H 106 8.346 7.557 0.789 1
1 1380 . 15 1 1 A 106 106 LYS HA H 106 4.239 4.091 0.148 1
1 1389 . 15 1 1 A 106 106 LYS C C 106 177.022 178.869 -1.847 1
1 1390 . 15 1 1 A 106 106 LYS CA C 106 56.647 58.152 -1.505 1
1 1391 . 15 1 1 A 106 106 LYS CB C 106 32.481 32.023 0.458 1
1 1395 . 15 1 1 A 106 106 LYS N N 106 122.274 118.710 3.564 1
1 16 . 16 1 1 A 2 2 VAL H H 2 8.319 8.285 0.034 1
1 17 . 16 1 1 A 2 2 VAL HA H 2 4.096 4.525 -0.429 1
1 25 . 16 1 1 A 2 2 VAL C C 2 176.167 175.494 0.673 1
1 26 . 16 1 1 A 2 2 VAL CA C 2 67.781 59.340 8.441 1
1 27 . 16 1 1 A 2 2 VAL CB C 2 32.484 34.580 -2.096 1
1 30 . 16 1 1 A 2 2 VAL N N 2 122.596 121.821 0.775 1
1 31 . 16 1 1 A 3 3 LYS H H 3 8.470 8.655 -0.185 1
1 32 . 16 1 1 A 3 3 LYS HA H 3 4.327 3.898 0.429 1
1 41 . 16 1 1 A 3 3 LYS C C 3 176.713 177.021 -0.308 1
1 42 . 16 1 1 A 3 3 LYS CA C 3 56.391 59.966 -3.575 1
1 43 . 16 1 1 A 3 3 LYS CB C 3 32.723 32.293 0.430 1
1 47 . 16 1 1 A 3 3 LYS N N 3 127.359 125.708 1.651 1
1 48 . 16 1 1 A 4 4 PHE H H 4 8.471 7.354 1.117 1
1 49 . 16 1 1 A 4 4 PHE HA H 4 4.491 4.609 -0.118 1
1 57 . 16 1 1 A 4 4 PHE C C 4 177.923 175.283 2.640 1
1 58 . 16 1 1 A 4 4 PHE CA C 4 57.566 56.036 1.530 1
1 59 . 16 1 1 A 4 4 PHE CB C 4 39.751 40.369 -0.618 1
1 65 . 16 1 1 A 4 4 PHE N N 4 125.570 116.693 8.877 1
1 66 . 16 1 1 A 5 5 THR H H 5 8.880 8.421 0.459 1
1 67 . 16 1 1 A 5 5 THR HA H 5 4.490 4.635 -0.145 1
1 72 . 16 1 1 A 5 5 THR C C 5 175.297 176.010 -0.713 1
1 73 . 16 1 1 A 5 5 THR CA C 5 60.140 60.569 -0.429 1
1 74 . 16 1 1 A 5 5 THR CB C 5 70.922 70.367 0.555 1
1 76 . 16 1 1 A 5 5 THR N N 5 114.601 115.094 -0.493 1
1 77 . 16 1 1 A 6 6 GLU H H 6 9.000 9.097 -0.097 1
1 78 . 16 1 1 A 6 6 GLU HA H 6 4.142 4.116 0.026 1
1 83 . 16 1 1 A 6 6 GLU C C 6 179.326 178.439 0.887 1
1 84 . 16 1 1 A 6 6 GLU CA C 6 59.675 59.461 0.214 1
1 85 . 16 1 1 A 6 6 GLU CB C 6 29.203 29.210 -0.007 1
1 87 . 16 1 1 A 6 6 GLU N N 6 121.577 124.791 -3.214 1
1 88 . 16 1 1 A 7 7 GLU H H 7 8.658 8.237 0.421 1
1 89 . 16 1 1 A 7 7 GLU HA H 7 4.026 4.011 0.015 1
1 94 . 16 1 1 A 7 7 GLU C C 7 179.616 179.760 -0.144 1
1 95 . 16 1 1 A 7 7 GLU CA C 7 59.683 59.459 0.224 1
1 96 . 16 1 1 A 7 7 GLU CB C 7 28.972 29.341 -0.369 1
1 98 . 16 1 1 A 7 7 GLU N N 7 118.231 119.763 -1.532 1
1 99 . 16 1 1 A 8 8 GLU H H 8 7.930 8.190 -0.260 1
1 100 . 16 1 1 A 8 8 GLU HA H 8 3.955 4.145 -0.190 1
1 105 . 16 1 1 A 8 8 GLU C C 8 178.395 178.839 -0.444 1
1 106 . 16 1 1 A 8 8 GLU CA C 8 59.672 59.231 0.441 1
1 107 . 16 1 1 A 8 8 GLU CB C 8 31.318 29.687 1.631 1
1 109 . 16 1 1 A 8 8 GLU N N 8 121.169 120.674 0.495 1
1 110 . 16 1 1 A 9 9 ASP H H 9 8.507 8.113 0.394 1
1 111 . 16 1 1 A 9 9 ASP HA H 9 4.677 4.344 0.333 1
1 114 . 16 1 1 A 9 9 ASP C C 9 179.329 177.846 1.483 1
1 115 . 16 1 1 A 9 9 ASP CA C 9 57.562 57.059 0.503 1
1 116 . 16 1 1 A 9 9 ASP CB C 9 40.217 41.495 -1.278 1
1 117 . 16 1 1 A 9 9 ASP N N 9 121.164 120.152 1.012 1
1 118 . 16 1 1 A 10 10 LEU H H 10 8.042 7.676 0.366 1
1 119 . 16 1 1 A 10 10 LEU HA H 10 4.143 4.085 0.058 1
1 129 . 16 1 1 A 10 10 LEU C C 10 179.329 178.866 0.463 1
1 130 . 16 1 1 A 10 10 LEU CA C 10 57.796 57.532 0.264 1
1 131 . 16 1 1 A 10 10 LEU CB C 10 41.392 41.078 0.314 1
1 135 . 16 1 1 A 10 10 LEU N N 10 120.628 119.578 1.050 1
1 136 . 16 1 1 A 11 11 LYS H H 11 8.040 8.415 -0.375 1
1 137 . 16 1 1 A 11 11 LYS HA H 11 4.049 4.001 0.048 1
1 146 . 16 1 1 A 11 11 LYS C C 11 178.345 179.104 -0.759 1
1 147 . 16 1 1 A 11 11 LYS CA C 11 59.199 60.311 -1.112 1
1 148 . 16 1 1 A 11 11 LYS CB C 11 32.488 32.469 0.019 1
1 152 . 16 1 1 A 11 11 LYS N N 11 121.016 118.500 2.516 1
1 153 . 16 1 1 A 12 12 LEU H H 12 8.865 8.245 0.620 1
1 154 . 16 1 1 A 12 12 LEU HA H 12 4.258 3.942 0.316 1
1 164 . 16 1 1 A 12 12 LEU C C 12 178.298 179.088 -0.790 1
1 165 . 16 1 1 A 12 12 LEU CA C 12 58.500 57.904 0.596 1
1 166 . 16 1 1 A 12 12 LEU CB C 12 41.389 41.522 -0.133 1
1 169 . 16 1 1 A 12 12 LEU N N 12 120.138 120.436 -0.298 1
1 170 . 16 1 1 A 13 13 GLN H H 13 8.400 7.828 0.572 1
1 171 . 16 1 1 A 13 13 GLN HA H 13 4.097 4.205 -0.108 1
1 178 . 16 1 1 A 13 13 GLN C C 13 178.254 178.038 0.216 1
1 179 . 16 1 1 A 13 13 GLN CA C 13 59.693 59.423 0.270 1
1 180 . 16 1 1 A 13 13 GLN CB C 13 28.733 28.375 0.358 1
1 182 . 16 1 1 A 13 13 GLN N N 13 117.136 118.572 -1.436 1
1 184 . 16 1 1 A 14 14 GLN H H 14 8.175 7.600 0.575 1
1 185 . 16 1 1 A 14 14 GLN HA H 14 3.980 4.185 -0.205 1
1 192 . 16 1 1 A 14 14 GLN C C 14 179.518 178.570 0.948 1
1 193 . 16 1 1 A 14 14 GLN CA C 14 58.745 58.169 0.576 1
1 194 . 16 1 1 A 14 14 GLN CB C 14 28.034 28.977 -0.943 1
1 196 . 16 1 1 A 14 14 GLN N N 14 117.947 118.182 -0.235 1
1 198 . 16 1 1 A 15 15 LEU H H 15 8.721 8.572 0.149 1
1 199 . 16 1 1 A 15 15 LEU HA H 15 4.143 3.930 0.213 1
1 209 . 16 1 1 A 15 15 LEU C C 15 178.956 179.079 -0.123 1
1 210 . 16 1 1 A 15 15 LEU CA C 15 57.562 58.062 -0.500 1
1 211 . 16 1 1 A 15 15 LEU CB C 15 42.801 41.947 0.854 1
1 215 . 16 1 1 A 15 15 LEU N N 15 120.641 120.542 0.099 1
1 216 . 16 1 1 A 16 16 VAL H H 16 8.603 8.204 0.399 1
1 217 . 16 1 1 A 16 16 VAL HA H 16 3.230 3.289 -0.059 1
1 225 . 16 1 1 A 16 16 VAL C C 16 179.988 177.601 2.387 1
1 226 . 16 1 1 A 16 16 VAL CA C 16 65.733 66.884 -1.151 1
1 227 . 16 1 1 A 16 16 VAL CB C 16 30.609 31.251 -0.642 1
1 230 . 16 1 1 A 16 16 VAL N N 16 120.873 117.727 3.146 1
1 231 . 16 1 1 A 17 17 MET H H 17 8.058 7.872 0.186 1
1 232 . 16 1 1 A 17 17 MET HA H 17 4.050 4.098 -0.048 1
1 237 . 16 1 1 A 17 17 MET C C 17 177.501 178.298 -0.797 1
1 238 . 16 1 1 A 17 17 MET CA C 17 58.270 58.399 -0.129 1
1 239 . 16 1 1 A 17 17 MET CB C 17 31.784 31.678 0.106 1
1 241 . 16 1 1 A 17 17 MET N N 17 119.240 119.840 -0.600 1
1 242 . 16 1 1 A 18 18 ARG H H 18 7.406 7.915 -0.509 1
1 243 . 16 1 1 A 18 18 ARG HA H 18 3.957 3.853 0.104 1
1 250 . 16 1 1 A 18 18 ARG C C 18 177.691 177.220 0.471 1
1 251 . 16 1 1 A 18 18 ARG CA C 18 58.301 58.575 -0.274 1
1 252 . 16 1 1 A 18 18 ARG CB C 18 30.842 29.832 1.010 1
1 255 . 16 1 1 A 18 18 ARG N N 18 117.487 119.892 -2.405 1
1 256 . 16 1 1 A 19 19 TYR H H 19 8.571 7.255 1.316 1
1 257 . 16 1 1 A 19 19 TYR HA H 19 4.490 4.457 0.033 1
1 264 . 16 1 1 A 19 19 TYR C C 19 176.706 175.711 0.995 1
1 265 . 16 1 1 A 19 19 TYR CA C 19 58.739 57.655 1.084 1
1 266 . 16 1 1 A 19 19 TYR CB C 19 39.044 38.375 0.669 1
1 271 . 16 1 1 A 19 19 TYR N N 19 115.284 115.585 -0.301 1
1 272 . 16 1 1 A 20 20 GLY H H 20 8.148 9.289 -1.141 1
1 273 . 16 1 1 A 20 20 GLY HA2 H 20 3.609 3.788 -0.179 1
1 274 . 16 1 1 A 20 20 GLY HA3 H 20 4.137 3.796 0.341 1
1 275 . 16 1 1 A 20 20 GLY C C 20 171.784 173.683 -1.899 1
1 276 . 16 1 1 A 20 20 GLY CA C 20 43.972 46.501 -2.529 1
1 277 . 16 1 1 A 20 20 GLY N N 20 110.830 108.381 2.449 1
1 278 . 16 1 1 A 21 21 ALA H H 21 7.886 8.017 -0.131 1
1 279 . 16 1 1 A 21 21 ALA HA H 21 3.400 3.931 -0.531 1
1 283 . 16 1 1 A 21 21 ALA C C 21 176.002 176.954 -0.952 1
1 284 . 16 1 1 A 21 21 ALA CA C 21 49.825 51.155 -1.330 1
1 285 . 16 1 1 A 21 21 ALA CB C 21 17.960 18.811 -0.851 1
1 286 . 16 1 1 A 21 21 ALA N N 21 119.337 121.493 -2.156 1
1 287 . 16 1 1 A 22 22 LYS H H 22 7.424 7.573 -0.149 1
1 288 . 16 1 1 A 22 22 LYS HA H 22 4.258 4.638 -0.380 1
1 297 . 16 1 1 A 22 22 LYS C C 22 175.769 176.222 -0.453 1
1 298 . 16 1 1 A 22 22 LYS CA C 22 55.921 56.590 -0.669 1
1 299 . 16 1 1 A 22 22 LYS CB C 22 33.371 34.805 -1.434 1
1 303 . 16 1 1 A 22 22 LYS N N 22 115.793 114.206 1.587 1
1 304 . 16 1 1 A 23 23 ASP H H 23 7.724 7.476 0.248 1
1 305 . 16 1 1 A 23 23 ASP HA H 23 4.700 4.966 -0.266 1
1 308 . 16 1 1 A 23 23 ASP C C 23 176.142 176.248 -0.106 1
1 309 . 16 1 1 A 23 23 ASP CA C 23 51.704 53.011 -1.307 1
1 310 . 16 1 1 A 23 23 ASP CB C 23 39.514 40.849 -1.335 1
1 311 . 16 1 1 A 23 23 ASP N N 23 119.398 118.340 1.058 1
1 312 . 16 1 1 A 24 24 TRP H H 24 8.035 7.691 0.344 1
1 313 . 16 1 1 A 24 24 TRP HA H 24 4.258 4.195 0.063 1
1 322 . 16 1 1 A 24 24 TRP C C 24 178.252 178.717 -0.465 1
1 323 . 16 1 1 A 24 24 TRP CA C 24 58.736 59.611 -0.875 1
1 324 . 16 1 1 A 24 24 TRP CB C 24 28.970 29.249 -0.279 1
1 330 . 16 1 1 A 24 24 TRP N N 24 123.130 120.322 2.808 1
1 332 . 16 1 1 A 25 25 ILE H H 25 8.092 7.786 0.306 1
1 333 . 16 1 1 A 25 25 ILE HA H 25 3.724 3.746 -0.022 1
1 343 . 16 1 1 A 25 25 ILE C C 25 177.806 178.021 -0.215 1
1 344 . 16 1 1 A 25 25 ILE CA C 25 65.060 64.712 0.348 1
1 345 . 16 1 1 A 25 25 ILE CB C 25 36.234 37.355 -1.121 1
1 349 . 16 1 1 A 25 25 ILE N N 25 121.518 116.335 5.183 1
1 350 . 16 1 1 A 26 26 ARG H H 26 7.503 8.043 -0.540 1
1 351 . 16 1 1 A 26 26 ARG HA H 26 3.864 3.925 -0.061 1
1 358 . 16 1 1 A 26 26 ARG C C 26 178.303 178.346 -0.043 1
1 359 . 16 1 1 A 26 26 ARG CA C 26 58.267 59.411 -1.144 1
1 360 . 16 1 1 A 26 26 ARG CB C 26 29.680 30.426 -0.746 1
1 363 . 16 1 1 A 26 26 ARG N N 26 122.119 120.670 1.449 1
1 364 . 16 1 1 A 27 27 ILE H H 27 7.340 7.647 -0.307 1
1 365 . 16 1 1 A 27 27 ILE HA H 27 3.450 3.639 -0.189 1
1 375 . 16 1 1 A 27 27 ILE C C 27 177.689 178.505 -0.816 1
1 376 . 16 1 1 A 27 27 ILE CA C 27 63.893 65.071 -1.178 1
1 377 . 16 1 1 A 27 27 ILE CB C 27 36.474 37.113 -0.639 1
1 381 . 16 1 1 A 27 27 ILE N N 27 115.446 120.665 -5.219 1
1 382 . 16 1 1 A 28 28 SER H H 28 8.203 8.356 -0.153 1
1 383 . 16 1 1 A 28 28 SER HA H 28 4.144 4.311 -0.167 1
1 386 . 16 1 1 A 28 28 SER C C 28 177.220 177.144 0.076 1
1 387 . 16 1 1 A 28 28 SER CA C 28 61.085 61.446 -0.361 1
1 388 . 16 1 1 A 28 28 SER CB C 28 63.421 63.100 0.321 1
1 389 . 16 1 1 A 28 28 SER N N 28 113.324 117.208 -3.884 1
1 390 . 16 1 1 A 29 29 GLN H H 29 8.177 7.311 0.866 1
1 391 . 16 1 1 A 29 29 GLN HA H 29 4.003 4.070 -0.067 1
1 398 . 16 1 1 A 29 29 GLN C C 29 178.910 179.228 -0.318 1
1 399 . 16 1 1 A 29 29 GLN CA C 29 58.503 58.844 -0.341 1
1 400 . 16 1 1 A 29 29 GLN CB C 29 27.796 28.283 -0.487 1
1 402 . 16 1 1 A 29 29 GLN N N 29 120.561 121.649 -1.088 1
1 404 . 16 1 1 A 30 30 LEU H H 30 7.494 7.389 0.105 1
1 405 . 16 1 1 A 30 30 LEU HA H 30 4.258 4.114 0.144 1
1 415 . 16 1 1 A 30 30 LEU C C 30 178.956 177.155 1.801 1
1 416 . 16 1 1 A 30 30 LEU CA C 30 55.675 57.426 -1.751 1
1 417 . 16 1 1 A 30 30 LEU CB C 30 42.559 42.171 0.388 1
1 421 . 16 1 1 A 30 30 LEU N N 30 118.106 119.767 -1.661 1
1 422 . 16 1 1 A 31 31 MET H H 31 8.399 7.166 1.233 1
1 423 . 16 1 1 A 31 31 MET HA H 31 4.329 4.838 -0.509 1
1 428 . 16 1 1 A 31 31 MET C C 31 179.515 175.664 3.851 1
1 429 . 16 1 1 A 31 31 MET CA C 31 55.921 54.063 1.858 1
1 430 . 16 1 1 A 31 31 MET CB C 31 31.310 32.453 -1.143 1
1 432 . 16 1 1 A 31 31 MET N N 31 120.008 116.075 3.933 1
1 433 . 16 1 1 A 32 32 ILE H H 32 8.177 8.101 0.076 1
1 434 . 16 1 1 A 32 32 ILE HA H 32 3.423 4.156 -0.733 1
1 444 . 16 1 1 A 32 32 ILE C C 32 179.473 177.220 2.253 1
1 445 . 16 1 1 A 32 32 ILE CA C 32 67.639 63.195 4.444 1
1 446 . 16 1 1 A 32 32 ILE CB C 32 35.767 37.798 -2.031 1
1 450 . 16 1 1 A 32 32 ILE N N 32 114.338 119.332 -4.994 1
1 451 . 16 1 1 A 33 33 THR H H 33 8.957 7.762 1.195 1
1 452 . 16 1 1 A 33 33 THR HA H 33 4.143 4.307 -0.164 1
1 457 . 16 1 1 A 33 33 THR C C 33 174.361 174.382 -0.021 1
1 458 . 16 1 1 A 33 33 THR CA C 33 62.251 63.532 -1.281 1
1 459 . 16 1 1 A 33 33 THR CB C 33 68.581 68.903 -0.322 1
1 461 . 16 1 1 A 33 33 THR N N 33 110.164 115.745 -5.581 1
1 462 . 16 1 1 A 34 34 ARG H H 34 6.509 7.583 -1.074 1
1 463 . 16 1 1 A 34 34 ARG HA H 34 4.862 4.906 -0.044 1
1 470 . 16 1 1 A 34 34 ARG C C 34 174.922 174.450 0.472 1
1 471 . 16 1 1 A 34 34 ARG CA C 34 51.939 54.529 -2.590 1
1 472 . 16 1 1 A 34 34 ARG CB C 34 36.061 33.300 2.761 1
1 475 . 16 1 1 A 34 34 ARG N N 34 116.058 118.688 -2.630 1
1 476 . 16 1 1 A 35 35 ASN H H 35 8.733 8.853 -0.120 1
1 477 . 16 1 1 A 35 35 ASN HA H 35 4.810 5.111 -0.301 1
1 482 . 16 1 1 A 35 35 ASN C C 35 173.986 175.109 -1.123 1
1 483 . 16 1 1 A 35 35 ASN CA C 35 52.107 51.420 0.687 1
1 484 . 16 1 1 A 35 35 ASN CB C 35 36.636 38.253 -1.617 1
1 485 . 16 1 1 A 35 35 ASN N N 35 122.840 118.630 4.210 1
1 487 . 16 1 1 A 36 36 PRO HA H 36 4.197 4.549 -0.352 1
1 494 . 16 1 1 A 36 36 PRO C C 36 178.019 178.694 -0.675 1
1 495 . 16 1 1 A 36 36 PRO CA C 36 67.412 65.316 2.096 1
1 496 . 16 1 1 A 36 36 PRO CB C 36 32.018 32.019 -0.001 1
1 499 . 16 1 1 A 37 37 ARG H H 37 7.804 8.461 -0.657 1
1 500 . 16 1 1 A 37 37 ARG HA H 37 3.749 3.890 -0.141 1
1 507 . 16 1 1 A 37 37 ARG C C 37 178.300 178.962 -0.662 1
1 508 . 16 1 1 A 37 37 ARG CA C 37 59.202 58.806 0.396 1
1 509 . 16 1 1 A 37 37 ARG CB C 37 29.435 29.422 0.013 1
1 512 . 16 1 1 A 37 37 ARG N N 37 117.759 118.394 -0.635 1
1 513 . 16 1 1 A 38 38 GLN H H 38 8.682 8.311 0.371 1
1 514 . 16 1 1 A 38 38 GLN HA H 38 4.043 4.103 -0.060 1
1 521 . 16 1 1 A 38 38 GLN C C 38 180.078 178.749 1.329 1
1 522 . 16 1 1 A 38 38 GLN CA C 38 58.506 59.119 -0.613 1
1 523 . 16 1 1 A 38 38 GLN CB C 38 29.431 28.632 0.799 1
1 525 . 16 1 1 A 38 38 GLN N N 38 117.504 119.038 -1.534 1
1 527 . 16 1 1 A 39 39 CYS H H 39 8.095 7.968 0.127 1
1 528 . 16 1 1 A 39 39 CYS HA H 39 4.059 4.298 -0.239 1
1 531 . 16 1 1 A 39 39 CYS C C 39 173.893 177.216 -3.323 1
1 532 . 16 1 1 A 39 39 CYS CA C 39 64.592 63.188 1.404 1
1 533 . 16 1 1 A 39 39 CYS CB C 39 27.328 26.683 0.645 1
1 534 . 16 1 1 A 39 39 CYS N N 39 116.291 118.579 -2.288 1
1 535 . 16 1 1 A 40 40 ARG H H 40 7.589 7.512 0.077 1
1 536 . 16 1 1 A 40 40 ARG HA H 40 1.821 2.888 -1.067 1
1 543 . 16 1 1 A 40 40 ARG C C 40 178.204 178.874 -0.670 1
1 544 . 16 1 1 A 40 40 ARG CA C 40 58.264 58.943 -0.679 1
1 545 . 16 1 1 A 40 40 ARG CB C 40 29.440 29.327 0.113 1
1 548 . 16 1 1 A 40 40 ARG N N 40 121.272 122.001 -0.729 1
1 549 . 16 1 1 A 41 41 GLU H H 41 8.352 8.326 0.026 1
1 550 . 16 1 1 A 41 41 GLU HA H 41 3.817 4.047 -0.230 1
1 555 . 16 1 1 A 41 41 GLU C C 41 178.718 179.036 -0.318 1
1 556 . 16 1 1 A 41 41 GLU CA C 41 58.971 59.480 -0.509 1
1 557 . 16 1 1 A 41 41 GLU CB C 41 28.972 29.395 -0.423 1
1 559 . 16 1 1 A 41 41 GLU N N 41 117.034 117.586 -0.552 1
1 560 . 16 1 1 A 42 42 ARG H H 42 7.755 7.863 -0.108 1
1 561 . 16 1 1 A 42 42 ARG HA H 42 3.931 4.243 -0.312 1
1 568 . 16 1 1 A 42 42 ARG C C 42 179.333 178.277 1.056 1
1 569 . 16 1 1 A 42 42 ARG CA C 42 57.261 59.092 -1.831 1
1 570 . 16 1 1 A 42 42 ARG CB C 42 29.610 30.201 -0.591 1
1 573 . 16 1 1 A 42 42 ARG N N 42 119.603 120.721 -1.118 1
1 574 . 16 1 1 A 43 43 TRP H H 43 8.199 8.054 0.145 1
1 575 . 16 1 1 A 43 43 TRP HA H 43 4.292 4.360 -0.068 1
1 579 . 16 1 1 A 43 43 TRP C C 43 176.705 178.385 -1.680 1
1 580 . 16 1 1 A 43 43 TRP CA C 43 57.006 61.332 -4.326 1
1 581 . 16 1 1 A 43 43 TRP CB C 43 29.620 29.674 -0.054 1
1 582 . 16 1 1 A 43 43 TRP N N 43 119.355 122.061 -2.706 1
1 584 . 16 1 1 A 44 44 ASN H H 44 8.478 8.466 0.012 1
1 585 . 16 1 1 A 44 44 ASN HA H 44 4.177 4.392 -0.215 1
1 590 . 16 1 1 A 44 44 ASN C C 44 176.986 177.420 -0.434 1
1 591 . 16 1 1 A 44 44 ASN CA C 44 55.457 56.130 -0.673 1
1 592 . 16 1 1 A 44 44 ASN CB C 44 38.347 37.482 0.865 1
1 593 . 16 1 1 A 44 44 ASN N N 44 113.530 117.455 -3.925 1
1 595 . 16 1 1 A 45 45 ASN H H 45 8.060 8.049 0.011 1
1 596 . 16 1 1 A 45 45 ASN HA H 45 4.630 4.711 -0.081 1
1 601 . 16 1 1 A 45 45 ASN C C 45 175.347 174.880 0.467 1
1 602 . 16 1 1 A 45 45 ASN CA C 45 53.350 53.647 -0.297 1
1 603 . 16 1 1 A 45 45 ASN CB C 45 39.047 38.728 0.319 1
1 604 . 16 1 1 A 45 45 ASN N N 45 112.540 116.485 -3.945 1
1 606 . 16 1 1 A 46 46 TYR H H 46 7.443 7.899 -0.456 1
1 607 . 16 1 1 A 46 46 TYR HA H 46 4.447 4.894 -0.447 1
1 614 . 16 1 1 A 46 46 TYR C C 46 175.439 175.027 0.412 1
1 615 . 16 1 1 A 46 46 TYR CA C 46 60.074 59.186 0.888 1
1 616 . 16 1 1 A 46 46 TYR CB C 46 40.383 40.566 -0.183 1
1 621 . 16 1 1 A 46 46 TYR N N 46 117.403 118.984 -1.581 1
1 622 . 16 1 1 A 47 47 ILE HA H 47 3.786 4.603 -0.817 1
1 632 . 16 1 1 A 47 47 ILE C C 47 175.440 173.801 1.639 1
1 633 . 16 1 1 A 47 47 ILE CA C 47 62.240 59.201 3.039 1
1 634 . 16 1 1 A 47 47 ILE CB C 47 38.670 40.892 -2.222 1
1 638 . 16 1 1 A 48 48 ASN H H 48 7.922 8.555 -0.633 1
1 639 . 16 1 1 A 48 48 ASN HA H 48 3.795 4.283 -0.488 1
1 642 . 16 1 1 A 48 48 ASN C C 48 174.640 175.439 -0.799 1
1 643 . 16 1 1 A 48 48 ASN N N 48 119.990 119.842 0.148 1
1 645 . 16 1 1 A 49 49 PRO HA H 49 4.166 4.434 -0.268 1
1 652 . 16 1 1 A 49 49 PRO C C 49 177.408 176.481 0.927 1
1 653 . 16 1 1 A 49 49 PRO CA C 49 64.124 63.545 0.579 1
1 654 . 16 1 1 A 49 49 PRO CB C 49 31.313 32.661 -1.348 1
1 657 . 16 1 1 A 50 50 ALA H H 50 7.595 7.923 -0.328 1
1 658 . 16 1 1 A 50 50 ALA HA H 50 4.128 3.960 0.168 1
1 662 . 16 1 1 A 50 50 ALA C C 50 178.251 177.606 0.645 1
1 663 . 16 1 1 A 50 50 ALA CA C 50 52.642 52.965 -0.323 1
1 664 . 16 1 1 A 50 50 ALA CB C 50 18.422 17.211 1.211 1
1 665 . 16 1 1 A 50 50 ALA N N 50 120.036 120.217 -0.181 1
1 666 . 16 1 1 A 51 51 LEU H H 51 7.586 7.910 -0.324 1
1 667 . 16 1 1 A 51 51 LEU HA H 51 4.119 4.510 -0.391 1
1 677 . 16 1 1 A 51 51 LEU C C 51 177.686 177.548 0.138 1
1 678 . 16 1 1 A 51 51 LEU CA C 51 55.219 54.697 0.522 1
1 679 . 16 1 1 A 51 51 LEU CB C 51 41.883 41.729 0.154 1
1 683 . 16 1 1 A 51 51 LEU N N 51 118.197 116.183 2.014 1
1 684 . 16 1 1 A 52 52 ARG H H 52 8.013 8.352 -0.339 1
1 685 . 16 1 1 A 52 52 ARG HA H 52 4.334 4.161 0.173 1
1 692 . 16 1 1 A 52 52 ARG C C 52 176.658 176.395 0.263 1
1 693 . 16 1 1 A 52 52 ARG CA C 52 55.923 57.890 -1.967 1
1 694 . 16 1 1 A 52 52 ARG CB C 52 31.086 29.493 1.593 1
1 697 . 16 1 1 A 52 52 ARG N N 52 119.899 121.106 -1.207 1
1 698 . 16 1 1 A 53 53 THR H H 53 8.187 7.536 0.651 1
1 699 . 16 1 1 A 53 53 THR HA H 53 4.345 4.546 -0.201 1
1 704 . 16 1 1 A 53 53 THR C C 53 173.892 172.683 1.209 1
1 705 . 16 1 1 A 53 53 THR CA C 53 60.611 60.713 -0.102 1
1 706 . 16 1 1 A 53 53 THR CB C 53 69.514 69.057 0.457 1
1 708 . 16 1 1 A 53 53 THR N N 53 113.907 114.545 -0.638 1
1 709 . 16 1 1 A 54 54 ASP H H 54 8.430 8.963 -0.533 1
1 710 . 16 1 1 A 54 54 ASP HA H 54 4.810 5.182 -0.372 1
1 713 . 16 1 1 A 54 54 ASP C C 54 174.082 173.689 0.393 1
1 714 . 16 1 1 A 54 54 ASP CA C 54 52.578 51.619 0.959 1
1 715 . 16 1 1 A 54 54 ASP CB C 54 39.685 41.409 -1.724 1
1 716 . 16 1 1 A 54 54 ASP N N 54 123.174 126.671 -3.497 1
1 717 . 16 1 1 A 55 55 PRO HA H 55 4.561 4.436 0.125 1
1 724 . 16 1 1 A 55 55 PRO C C 55 177.127 176.563 0.564 1
1 725 . 16 1 1 A 55 55 PRO CA C 55 62.958 62.624 0.334 1
1 726 . 16 1 1 A 55 55 PRO CB C 55 32.013 32.094 -0.081 1
1 729 . 16 1 1 A 56 56 TRP H H 56 8.721 7.619 1.102 1
1 730 . 16 1 1 A 56 56 TRP HA H 56 4.351 4.953 -0.602 1
1 739 . 16 1 1 A 56 56 TRP C C 56 177.127 175.378 1.749 1
1 740 . 16 1 1 A 56 56 TRP CA C 56 57.796 56.211 1.585 1
1 741 . 16 1 1 A 56 56 TRP CB C 56 28.732 31.392 -2.660 1
1 747 . 16 1 1 A 56 56 TRP N N 56 124.713 120.404 4.309 1
1 749 . 16 1 1 A 57 57 SER H H 57 9.085 9.098 -0.013 1
1 750 . 16 1 1 A 57 57 SER HA H 57 4.957 4.893 0.064 1
1 753 . 16 1 1 A 57 57 SER C C 57 173.562 174.573 -1.011 1
1 754 . 16 1 1 A 57 57 SER CA C 57 55.852 56.038 -0.186 1
1 755 . 16 1 1 A 57 57 SER CB C 57 63.824 65.894 -2.070 1
1 756 . 16 1 1 A 57 57 SER N N 57 122.041 114.602 7.439 1
1 757 . 16 1 1 A 58 58 PRO HA H 58 4.444 4.326 0.118 1
1 764 . 16 1 1 A 58 58 PRO C C 58 179.777 177.800 1.977 1
1 765 . 16 1 1 A 58 58 PRO CA C 58 65.071 65.147 -0.076 1
1 766 . 16 1 1 A 58 58 PRO CB C 58 31.546 31.934 -0.388 1
1 769 . 16 1 1 A 59 59 GLU H H 59 8.788 8.991 -0.203 1
1 770 . 16 1 1 A 59 59 GLU HA H 59 4.088 4.146 -0.058 1
1 775 . 16 1 1 A 59 59 GLU C C 59 179.656 178.575 1.081 1
1 776 . 16 1 1 A 59 59 GLU CA C 59 60.373 59.395 0.978 1
1 777 . 16 1 1 A 59 59 GLU CB C 59 28.505 29.216 -0.711 1
1 779 . 16 1 1 A 59 59 GLU N N 59 117.546 115.283 2.263 1
1 780 . 16 1 1 A 60 60 GLU H H 60 7.977 8.105 -0.128 1
1 781 . 16 1 1 A 60 60 GLU HA H 60 4.015 4.126 -0.111 1
1 786 . 16 1 1 A 60 60 GLU C C 60 178.440 178.849 -0.409 1
1 787 . 16 1 1 A 60 60 GLU CA C 60 59.913 59.000 0.913 1
1 788 . 16 1 1 A 60 60 GLU CB C 60 31.541 28.684 2.857 1
1 790 . 16 1 1 A 60 60 GLU N N 60 122.264 119.830 2.434 1
1 791 . 16 1 1 A 61 61 ASP H H 61 8.267 8.175 0.092 1
1 792 . 16 1 1 A 61 61 ASP HA H 61 4.654 4.530 0.124 1
1 795 . 16 1 1 A 61 61 ASP C C 61 179.469 178.719 0.750 1
1 796 . 16 1 1 A 61 61 ASP CA C 61 57.562 57.693 -0.131 1
1 797 . 16 1 1 A 61 61 ASP CB C 61 39.987 41.507 -1.520 1
1 798 . 16 1 1 A 61 61 ASP N N 61 120.543 120.324 0.219 1
1 799 . 16 1 1 A 62 62 MET H H 62 8.139 8.357 -0.218 1
1 800 . 16 1 1 A 62 62 MET HA H 62 4.284 4.245 0.039 1
1 805 . 16 1 1 A 62 62 MET C C 62 178.811 178.380 0.431 1
1 806 . 16 1 1 A 62 62 MET CA C 62 58.505 58.752 -0.247 1
1 807 . 16 1 1 A 62 62 MET CB C 62 32.251 32.848 -0.597 1
1 809 . 16 1 1 A 62 62 MET N N 62 119.343 118.206 1.137 1
1 810 . 16 1 1 A 63 63 LEU H H 63 7.959 7.961 -0.002 1
1 811 . 16 1 1 A 63 63 LEU HA H 63 4.212 4.134 0.078 1
1 821 . 16 1 1 A 63 63 LEU C C 63 177.642 178.483 -0.841 1
1 822 . 16 1 1 A 63 63 LEU CA C 63 57.562 57.651 -0.089 1
1 823 . 16 1 1 A 63 63 LEU CB C 63 42.096 41.813 0.283 1
1 827 . 16 1 1 A 63 63 LEU N N 63 122.676 121.151 1.525 1
1 828 . 16 1 1 A 64 64 LEU H H 64 8.784 8.793 -0.009 1
1 829 . 16 1 1 A 64 64 LEU HA H 64 4.119 4.006 0.113 1
1 839 . 16 1 1 A 64 64 LEU C C 64 177.515 178.088 -0.573 1
1 840 . 16 1 1 A 64 64 LEU CA C 64 58.738 57.965 0.773 1
1 841 . 16 1 1 A 64 64 LEU CB C 64 41.395 41.864 -0.469 1
1 845 . 16 1 1 A 64 64 LEU N N 64 120.877 120.093 0.784 1
1 846 . 16 1 1 A 65 65 ASP H H 65 8.085 8.641 -0.556 1
1 847 . 16 1 1 A 65 65 ASP HA H 65 4.630 4.470 0.160 1
1 850 . 16 1 1 A 65 65 ASP C C 65 179.391 178.258 1.133 1
1 851 . 16 1 1 A 65 65 ASP CA C 65 57.566 57.509 0.057 1
1 852 . 16 1 1 A 65 65 ASP CB C 65 41.626 42.071 -0.445 1
1 853 . 16 1 1 A 65 65 ASP N N 65 118.583 119.213 -0.630 1
1 854 . 16 1 1 A 66 66 GLN H H 66 8.336 7.927 0.409 1
1 855 . 16 1 1 A 66 66 GLN HA H 66 4.050 4.224 -0.174 1
1 862 . 16 1 1 A 66 66 GLN C C 66 179.565 178.551 1.014 1
1 863 . 16 1 1 A 66 66 GLN CA C 66 58.739 58.444 0.295 1
1 864 . 16 1 1 A 66 66 GLN CB C 66 28.502 28.549 -0.047 1
1 866 . 16 1 1 A 66 66 GLN N N 66 118.725 117.969 0.756 1
1 868 . 16 1 1 A 67 67 LYS H H 67 9.126 7.555 1.571 1
1 869 . 16 1 1 A 67 67 LYS HA H 67 4.142 4.128 0.014 1
1 878 . 16 1 1 A 67 67 LYS C C 67 178.671 178.745 -0.074 1
1 879 . 16 1 1 A 67 67 LYS CA C 67 56.156 58.961 -2.805 1
1 880 . 16 1 1 A 67 67 LYS CB C 67 31.550 32.616 -1.066 1
1 884 . 16 1 1 A 67 67 LYS N N 67 117.220 120.167 -2.947 1
1 885 . 16 1 1 A 68 68 TYR H H 68 9.361 8.749 0.612 1
1 886 . 16 1 1 A 68 68 TYR HA H 68 3.819 4.018 -0.199 1
1 893 . 16 1 1 A 68 68 TYR C C 68 179.235 177.227 2.008 1
1 894 . 16 1 1 A 68 68 TYR CA C 68 61.547 61.960 -0.413 1
1 895 . 16 1 1 A 68 68 TYR CB C 68 37.881 38.776 -0.895 1
1 900 . 16 1 1 A 68 68 TYR N N 68 123.884 120.589 3.295 1
1 901 . 16 1 1 A 69 69 ALA H H 69 7.810 8.006 -0.196 1
1 902 . 16 1 1 A 69 69 ALA HA H 69 3.980 3.984 -0.004 1
1 906 . 16 1 1 A 69 69 ALA C C 69 178.673 179.216 -0.543 1
1 907 . 16 1 1 A 69 69 ALA CA C 69 54.755 55.163 -0.408 1
1 908 . 16 1 1 A 69 69 ALA CB C 69 17.253 18.566 -1.313 1
1 909 . 16 1 1 A 69 69 ALA N N 69 121.733 121.608 0.125 1
1 910 . 16 1 1 A 70 70 GLU H H 70 7.091 7.892 -0.801 1
1 911 . 16 1 1 A 70 70 GLU HA H 70 3.848 4.097 -0.249 1
1 916 . 16 1 1 A 70 70 GLU C C 70 178.018 177.839 0.179 1
1 917 . 16 1 1 A 70 70 GLU CA C 70 58.566 58.317 0.249 1
1 918 . 16 1 1 A 70 70 GLU CB C 70 30.609 30.327 0.282 1
1 920 . 16 1 1 A 70 70 GLU N N 70 115.850 117.345 -1.495 1
1 921 . 16 1 1 A 71 71 TYR H H 71 8.270 8.474 -0.204 1
1 922 . 16 1 1 A 71 71 TYR HA H 71 4.537 4.156 0.381 1
1 929 . 16 1 1 A 71 71 TYR C C 71 177.174 176.215 0.959 1
1 930 . 16 1 1 A 71 71 TYR CA C 71 57.796 60.338 -2.542 1
1 931 . 16 1 1 A 71 71 TYR CB C 71 40.219 38.600 1.619 1
1 936 . 16 1 1 A 71 71 TYR N N 71 114.509 118.003 -3.494 1
1 937 . 16 1 1 A 72 72 GLY H H 72 8.417 7.842 0.575 1
1 938 . 16 1 1 A 72 72 GLY HA2 H 72 3.720 2.888 0.832 1
1 939 . 16 1 1 A 72 72 GLY HA3 H 72 2.255 3.619 -1.364 1
1 940 . 16 1 1 A 72 72 GLY C C 72 172.111 173.575 -1.464 1
1 941 . 16 1 1 A 72 72 GLY CA C 72 43.439 43.734 -0.295 1
1 942 . 16 1 1 A 72 72 GLY N N 72 111.509 106.516 4.993 1
1 943 . 16 1 1 A 73 73 PRO HA H 73 2.587 2.819 -0.232 1
1 950 . 16 1 1 A 73 73 PRO C C 73 175.393 174.883 0.510 1
1 951 . 16 1 1 A 73 73 PRO CA C 73 62.018 62.625 -0.607 1
1 952 . 16 1 1 A 73 73 PRO CB C 73 28.033 31.444 -3.411 1
1 955 . 16 1 1 A 74 74 LYS H H 74 8.065 7.592 0.473 1
1 956 . 16 1 1 A 74 74 LYS HA H 74 4.259 4.220 0.039 1
1 965 . 16 1 1 A 74 74 LYS C C 74 177.220 176.153 1.067 1
1 966 . 16 1 1 A 74 74 LYS CA C 74 52.641 54.494 -1.853 1
1 967 . 16 1 1 A 74 74 LYS CB C 74 30.145 30.126 0.019 1
1 971 . 16 1 1 A 74 74 LYS N N 74 125.996 119.383 6.613 1
1 972 . 16 1 1 A 75 75 TRP H H 75 6.735 6.840 -0.105 1
1 973 . 16 1 1 A 75 75 TRP HA H 75 4.305 4.349 -0.044 1
1 982 . 16 1 1 A 75 75 TRP C C 75 177.174 178.173 -0.999 1
1 983 . 16 1 1 A 75 75 TRP CA C 75 58.969 60.037 -1.068 1
1 984 . 16 1 1 A 75 75 TRP CB C 75 29.668 28.401 1.267 1
1 990 . 16 1 1 A 75 75 TRP N N 75 122.056 122.056 0.000 1
1 992 . 16 1 1 A 76 76 ASN H H 76 8.732 8.233 0.499 1
1 993 . 16 1 1 A 76 76 ASN HA H 76 4.606 4.477 0.129 1
1 998 . 16 1 1 A 76 76 ASN C C 76 177.830 176.914 0.916 1
1 999 . 16 1 1 A 76 76 ASN CA C 76 55.925 56.316 -0.391 1
1 1000 . 16 1 1 A 76 76 ASN CB C 76 37.876 38.673 -0.797 1
1 1001 . 16 1 1 A 76 76 ASN N N 76 114.266 119.746 -5.480 1
1 1003 . 16 1 1 A 77 77 LYS H H 77 7.401 7.885 -0.484 1
1 1004 . 16 1 1 A 77 77 LYS HA H 77 3.979 4.034 -0.055 1
1 1013 . 16 1 1 A 77 77 LYS C C 77 178.859 179.032 -0.173 1
1 1014 . 16 1 1 A 77 77 LYS CA C 77 57.800 58.408 -0.608 1
1 1015 . 16 1 1 A 77 77 LYS CB C 77 31.545 32.380 -0.835 1
1 1019 . 16 1 1 A 77 77 LYS N N 77 120.857 118.573 2.284 1
1 1020 . 16 1 1 A 78 78 ILE H H 78 7.754 7.571 0.183 1
1 1021 . 16 1 1 A 78 78 ILE HA H 78 3.679 3.273 0.406 1
1 1031 . 16 1 1 A 78 78 ILE C C 78 178.202 177.961 0.241 1
1 1032 . 16 1 1 A 78 78 ILE CA C 78 65.997 65.303 0.694 1
1 1033 . 16 1 1 A 78 78 ILE CB C 78 38.343 37.912 0.431 1
1 1037 . 16 1 1 A 78 78 ILE N N 78 118.290 121.033 -2.743 1
1 1038 . 16 1 1 A 79 79 SER H H 79 8.386 8.228 0.158 1
1 1039 . 16 1 1 A 79 79 SER HA H 79 4.049 4.141 -0.092 1
1 1042 . 16 1 1 A 79 79 SER C C 79 175.627 176.137 -0.510 1
1 1043 . 16 1 1 A 79 79 SER CA C 79 61.084 61.130 -0.046 1
1 1044 . 16 1 1 A 79 79 SER CB C 79 62.720 63.087 -0.367 1
1 1045 . 16 1 1 A 79 79 SER N N 79 114.363 115.570 -1.207 1
1 1046 . 16 1 1 A 80 80 LYS H H 80 7.017 7.991 -0.974 1
1 1047 . 16 1 1 A 80 80 LYS HA H 80 4.005 4.231 -0.226 1
1 1056 . 16 1 1 A 80 80 LYS C C 80 177.361 177.613 -0.252 1
1 1057 . 16 1 1 A 80 80 LYS CA C 80 57.098 58.072 -0.974 1
1 1058 . 16 1 1 A 80 80 LYS CB C 80 31.083 32.641 -1.558 1
1 1062 . 16 1 1 A 80 80 LYS N N 80 118.534 120.101 -1.567 1
1 1063 . 16 1 1 A 81 81 PHE H H 81 7.932 8.515 -0.583 1
1 1064 . 16 1 1 A 81 81 PHE HA H 81 4.467 4.309 0.158 1
1 1071 . 16 1 1 A 81 81 PHE C C 81 174.969 177.429 -2.460 1
1 1072 . 16 1 1 A 81 81 PHE CA C 81 58.500 60.328 -1.828 1
1 1073 . 16 1 1 A 81 81 PHE CB C 81 39.516 39.227 0.289 1
1 1078 . 16 1 1 A 81 81 PHE N N 81 114.880 117.459 -2.579 1
1 1079 . 16 1 1 A 82 82 LEU H H 82 7.487 7.325 0.162 1
1 1080 . 16 1 1 A 82 82 LEU HA H 82 4.666 4.278 0.388 1
1 1090 . 16 1 1 A 82 82 LEU C C 82 175.107 176.851 -1.744 1
1 1091 . 16 1 1 A 82 82 LEU CA C 82 52.875 56.619 -3.744 1
1 1092 . 16 1 1 A 82 82 LEU CB C 82 42.802 42.138 0.664 1
1 1096 . 16 1 1 A 82 82 LEU N N 82 122.945 119.009 3.936 1
1 1097 . 16 1 1 A 83 83 LYS H H 83 8.256 8.015 0.241 1
1 1098 . 16 1 1 A 83 83 LYS HA H 83 4.120 4.111 0.009 1
1 1107 . 16 1 1 A 83 83 LYS C C 83 176.236 176.318 -0.082 1
1 1108 . 16 1 1 A 83 83 LYS CA C 83 56.630 57.820 -1.190 1
1 1109 . 16 1 1 A 83 83 LYS CB C 83 31.786 29.661 2.125 1
1 1113 . 16 1 1 A 83 83 LYS N N 83 118.856 116.155 2.701 1
1 1114 . 16 1 1 A 84 84 ASN H H 84 8.684 8.237 0.447 1
1 1115 . 16 1 1 A 84 84 ASN HA H 84 4.304 4.847 -0.543 1
1 1120 . 16 1 1 A 84 84 ASN C C 84 173.846 174.838 -0.992 1
1 1121 . 16 1 1 A 84 84 ASN CA C 84 53.816 53.409 0.407 1
1 1122 . 16 1 1 A 84 84 ASN CB C 84 37.176 40.457 -3.281 1
1 1123 . 16 1 1 A 84 84 ASN N N 84 116.099 114.712 1.387 1
1 1125 . 16 1 1 A 85 85 ARG H H 85 7.665 7.748 -0.083 1
1 1126 . 16 1 1 A 85 85 ARG HA H 85 4.675 4.828 -0.153 1
1 1132 . 16 1 1 A 85 85 ARG C C 85 175.529 174.857 0.672 1
1 1133 . 16 1 1 A 85 85 ARG CA C 85 53.112 54.260 -1.148 1
1 1134 . 16 1 1 A 85 85 ARG CB C 85 31.783 33.553 -1.770 1
1 1137 . 16 1 1 A 85 85 ARG N N 85 116.162 118.200 -2.038 1
1 1139 . 16 1 1 A 86 86 SER H H 86 8.864 8.183 0.681 1
1 1140 . 16 1 1 A 86 86 SER HA H 86 4.488 5.018 -0.530 1
1 1143 . 16 1 1 A 86 86 SER C C 86 174.407 175.134 -0.727 1
1 1144 . 16 1 1 A 86 86 SER CA C 86 57.093 55.722 1.371 1
1 1145 . 16 1 1 A 86 86 SER CB C 86 64.840 66.585 -1.745 1
1 1146 . 16 1 1 A 86 86 SER N N 86 119.204 112.242 6.962 1
1 1147 . 16 1 1 A 87 87 ASP H H 87 8.784 8.699 0.085 1
1 1148 . 16 1 1 A 87 87 ASP HA H 87 4.095 4.350 -0.255 1
1 1151 . 16 1 1 A 87 87 ASP C C 87 178.111 178.413 -0.302 1
1 1152 . 16 1 1 A 87 87 ASP CA C 87 57.801 56.877 0.924 1
1 1153 . 16 1 1 A 87 87 ASP CB C 87 39.056 39.727 -0.671 1
1 1154 . 16 1 1 A 87 87 ASP N N 87 121.415 121.174 0.241 1
1 1155 . 16 1 1 A 88 88 ASN H H 88 8.491 8.108 0.383 1
1 1156 . 16 1 1 A 88 88 ASN HA H 88 4.166 4.365 -0.199 1
1 1161 . 16 1 1 A 88 88 ASN C C 88 176.842 177.342 -0.500 1
1 1162 . 16 1 1 A 88 88 ASN CA C 88 55.458 56.249 -0.791 1
1 1163 . 16 1 1 A 88 88 ASN CB C 88 38.103 38.926 -0.823 1
1 1164 . 16 1 1 A 88 88 ASN N N 88 115.811 118.461 -2.650 1
1 1166 . 16 1 1 A 89 89 ASN H H 89 7.959 7.842 0.117 1
1 1167 . 16 1 1 A 89 89 ASN HA H 89 4.422 4.453 -0.031 1
1 1172 . 16 1 1 A 89 89 ASN C C 89 178.159 177.939 0.220 1
1 1173 . 16 1 1 A 89 89 ASN CA C 89 56.632 55.720 0.912 1
1 1174 . 16 1 1 A 89 89 ASN CB C 89 39.749 38.738 1.011 1
1 1175 . 16 1 1 A 89 89 ASN N N 89 120.679 117.887 2.792 1
1 1177 . 16 1 1 A 90 90 ILE H H 90 8.373 8.334 0.039 1
1 1178 . 16 1 1 A 90 90 ILE HA H 90 3.840 3.962 -0.122 1
1 1188 . 16 1 1 A 90 90 ILE C C 90 176.191 177.706 -1.515 1
1 1189 . 16 1 1 A 90 90 ILE CA C 90 65.298 65.090 0.208 1
1 1190 . 16 1 1 A 90 90 ILE CB C 90 38.109 37.451 0.658 1
1 1194 . 16 1 1 A 90 90 ILE N N 90 120.840 119.270 1.570 1
1 1195 . 16 1 1 A 91 91 ARG H H 91 7.749 8.482 -0.733 1
1 1196 . 16 1 1 A 91 91 ARG HA H 91 2.077 3.054 -0.977 1
1 1203 . 16 1 1 A 91 91 ARG C C 91 178.063 178.192 -0.129 1
1 1204 . 16 1 1 A 91 91 ARG CA C 91 58.500 58.935 -0.435 1
1 1205 . 16 1 1 A 91 91 ARG CB C 91 28.969 29.791 -0.822 1
1 1208 . 16 1 1 A 91 91 ARG N N 91 120.230 120.191 0.039 1
1 1209 . 16 1 1 A 92 92 ASN H H 92 7.959 7.943 0.016 1
1 1210 . 16 1 1 A 92 92 ASN HA H 92 4.167 4.397 -0.230 1
1 1215 . 16 1 1 A 92 92 ASN C C 92 177.689 177.479 0.210 1
1 1216 . 16 1 1 A 92 92 ASN CA C 92 55.640 56.112 -0.472 1
1 1217 . 16 1 1 A 92 92 ASN CB C 92 37.644 38.726 -1.082 1
1 1218 . 16 1 1 A 92 92 ASN N N 92 115.405 117.822 -2.417 1
1 1220 . 16 1 1 A 93 93 ARG H H 93 7.872 8.441 -0.569 1
1 1221 . 16 1 1 A 93 93 ARG HA H 93 3.610 3.747 -0.137 1
1 1229 . 16 1 1 A 93 93 ARG C C 93 177.737 178.238 -0.501 1
1 1230 . 16 1 1 A 93 93 ARG CA C 93 57.263 58.853 -1.590 1
1 1231 . 16 1 1 A 93 93 ARG CB C 93 29.141 29.469 -0.328 1
1 1234 . 16 1 1 A 93 93 ARG N N 93 122.360 119.834 2.526 1
1 1236 . 16 1 1 A 94 94 TRP H H 94 8.411 8.903 -0.492 1
1 1237 . 16 1 1 A 94 94 TRP HA H 94 3.818 4.335 -0.517 1
1 1241 . 16 1 1 A 94 94 TRP N N 94 119.510 121.837 -2.327 1
1 1243 . 16 1 1 A 95 95 MET HA H 95 3.725 3.912 -0.187 1
1 1246 . 16 1 1 A 95 95 MET C C 95 178.580 178.507 0.073 1
1 1247 . 16 1 1 A 95 95 MET CA C 95 57.807 58.315 -0.508 1
1 1248 . 16 1 1 A 95 95 MET CB C 95 32.023 32.455 -0.432 1
1 1249 . 16 1 1 A 96 96 MET H H 96 7.580 7.252 0.328 1
1 1250 . 16 1 1 A 96 96 MET HA H 96 3.980 4.138 -0.158 1
1 1255 . 16 1 1 A 96 96 MET C C 96 178.344 177.542 0.802 1
1 1256 . 16 1 1 A 96 96 MET CA C 96 58.033 57.753 0.280 1
1 1257 . 16 1 1 A 96 96 MET CB C 96 31.783 32.281 -0.498 1
1 1259 . 16 1 1 A 96 96 MET N N 96 118.340 118.635 -0.295 1
1 1260 . 16 1 1 A 97 97 ILE H H 97 7.884 7.692 0.192 1
1 1261 . 16 1 1 A 97 97 ILE HA H 97 3.583 3.840 -0.257 1
1 1271 . 16 1 1 A 97 97 ILE C C 97 178.154 178.085 0.069 1
1 1272 . 16 1 1 A 97 97 ILE CA C 97 63.656 63.404 0.252 1
1 1273 . 16 1 1 A 97 97 ILE CB C 97 37.637 37.428 0.209 1
1 1277 . 16 1 1 A 97 97 ILE N N 97 120.158 115.946 4.212 1
1 1278 . 16 1 1 A 98 98 ALA H H 98 8.064 8.388 -0.324 1
1 1279 . 16 1 1 A 98 98 ALA HA H 98 3.515 3.835 -0.320 1
1 1283 . 16 1 1 A 98 98 ALA C C 98 180.224 179.145 1.079 1
1 1284 . 16 1 1 A 98 98 ALA CA C 98 54.283 54.148 0.135 1
1 1285 . 16 1 1 A 98 98 ALA CB C 98 17.251 17.399 -0.148 1
1 1286 . 16 1 1 A 98 98 ALA N N 98 123.446 123.792 -0.346 1
1 1287 . 16 1 1 A 99 99 ARG H H 99 7.623 8.154 -0.531 1
1 1288 . 16 1 1 A 99 99 ARG HA H 99 3.934 3.991 -0.057 1
1 1295 . 16 1 1 A 99 99 ARG C C 99 177.923 177.660 0.263 1
1 1296 . 16 1 1 A 99 99 ARG CA C 99 57.968 57.974 -0.006 1
1 1297 . 16 1 1 A 99 99 ARG CB C 99 29.606 29.166 0.440 1
1 1300 . 16 1 1 A 99 99 ARG N N 99 117.538 117.366 0.172 1
1 1301 . 16 1 1 A 100 100 HIS H H 100 7.797 7.142 0.655 1
1 1302 . 16 1 1 A 100 100 HIS HA H 100 4.409 4.378 0.031 1
1 1307 . 16 1 1 A 100 100 HIS C C 100 176.575 177.405 -0.830 1
1 1308 . 16 1 1 A 100 100 HIS CA C 100 57.109 58.951 -1.842 1
1 1309 . 16 1 1 A 100 100 HIS CB C 100 29.204 30.169 -0.965 1
1 1312 . 16 1 1 A 100 100 HIS N N 100 118.311 117.535 0.776 1
1 1313 . 16 1 1 A 101 101 ARG H H 101 8.057 7.843 0.214 1
1 1314 . 16 1 1 A 101 101 ARG HA H 101 4.062 4.100 -0.038 1
1 1321 . 16 1 1 A 101 101 ARG C C 101 177.220 178.903 -1.683 1
1 1322 . 16 1 1 A 101 101 ARG CA C 101 57.556 58.597 -1.041 1
1 1323 . 16 1 1 A 101 101 ARG CB C 101 30.157 29.906 0.251 1
1 1326 . 16 1 1 A 101 101 ARG N N 101 119.935 119.457 0.478 1
1 1327 . 16 1 1 A 102 102 ALA H H 102 7.917 7.644 0.273 1
1 1328 . 16 1 1 A 102 102 ALA HA H 102 4.167 4.131 0.036 1
1 1332 . 16 1 1 A 102 102 ALA C C 102 178.532 179.236 -0.704 1
1 1333 . 16 1 1 A 102 102 ALA CA C 102 53.103 54.152 -1.049 1
1 1334 . 16 1 1 A 102 102 ALA CB C 102 18.447 18.299 0.148 1
1 1335 . 16 1 1 A 102 102 ALA N N 102 122.678 121.745 0.933 1
1 1336 . 16 1 1 A 103 103 LYS H H 103 7.884 7.535 0.349 1
1 1337 . 16 1 1 A 103 103 LYS HA H 103 4.121 4.306 -0.185 1
1 1346 . 16 1 1 A 103 103 LYS C C 103 177.080 175.407 1.673 1
1 1347 . 16 1 1 A 103 103 LYS CA C 103 56.856 55.660 1.196 1
1 1348 . 16 1 1 A 103 103 LYS CB C 103 32.480 31.979 0.501 1
1 1352 . 16 1 1 A 103 103 LYS N N 103 118.773 115.826 2.947 1
1 1353 . 16 1 1 A 104 104 HIS H H 104 8.118 7.754 0.364 1
1 1354 . 16 1 1 A 104 104 HIS HA H 104 4.560 4.156 0.404 1
1 1359 . 16 1 1 A 104 104 HIS C C 104 175.204 173.793 1.411 1
1 1360 . 16 1 1 A 104 104 HIS CA C 104 55.932 56.874 -0.942 1
1 1361 . 16 1 1 A 104 104 HIS CB C 104 29.448 26.671 2.777 1
1 1364 . 16 1 1 A 104 104 HIS N N 104 118.685 115.056 3.629 1
1 1365 . 16 1 1 A 105 105 GLN H H 105 8.233 7.857 0.376 1
1 1366 . 16 1 1 A 105 105 GLN HA H 105 4.218 4.235 -0.017 1
1 1373 . 16 1 1 A 105 105 GLN C C 105 176.172 176.227 -0.055 1
1 1374 . 16 1 1 A 105 105 GLN CA C 105 56.130 54.593 1.537 1
1 1375 . 16 1 1 A 105 105 GLN CB C 105 28.976 27.669 1.307 1
1 1377 . 16 1 1 A 105 105 GLN N N 105 121.104 119.551 1.553 1
1 1379 . 16 1 1 A 106 106 LYS H H 106 8.346 8.775 -0.429 1
1 1380 . 16 1 1 A 106 106 LYS HA H 106 4.239 3.857 0.382 1
1 1389 . 16 1 1 A 106 106 LYS C C 106 177.022 175.553 1.469 1
1 1390 . 16 1 1 A 106 106 LYS CA C 106 56.647 58.084 -1.437 1
1 1391 . 16 1 1 A 106 106 LYS CB C 106 32.481 30.491 1.990 1
1 1395 . 16 1 1 A 106 106 LYS N N 106 122.274 122.413 -0.139 1
1 16 . 17 1 1 A 2 2 VAL H H 2 8.319 8.543 -0.224 1
1 17 . 17 1 1 A 2 2 VAL HA H 2 4.096 4.287 -0.191 1
1 25 . 17 1 1 A 2 2 VAL C C 2 176.167 176.290 -0.123 1
1 26 . 17 1 1 A 2 2 VAL CA C 2 67.781 59.517 8.264 1
1 27 . 17 1 1 A 2 2 VAL CB C 2 32.484 34.654 -2.170 1
1 30 . 17 1 1 A 2 2 VAL N N 2 122.596 122.309 0.287 1
1 31 . 17 1 1 A 3 3 LYS H H 3 8.470 8.526 -0.056 1
1 32 . 17 1 1 A 3 3 LYS HA H 3 4.327 3.851 0.476 1
1 41 . 17 1 1 A 3 3 LYS C C 3 176.713 176.949 -0.236 1
1 42 . 17 1 1 A 3 3 LYS CA C 3 56.391 59.877 -3.486 1
1 43 . 17 1 1 A 3 3 LYS CB C 3 32.723 32.120 0.603 1
1 47 . 17 1 1 A 3 3 LYS N N 3 127.359 124.099 3.260 1
1 48 . 17 1 1 A 4 4 PHE H H 4 8.471 7.098 1.373 1
1 49 . 17 1 1 A 4 4 PHE HA H 4 4.491 4.589 -0.098 1
1 57 . 17 1 1 A 4 4 PHE C C 4 177.923 175.236 2.687 1
1 58 . 17 1 1 A 4 4 PHE CA C 4 57.566 56.176 1.390 1
1 59 . 17 1 1 A 4 4 PHE CB C 4 39.751 40.133 -0.382 1
1 65 . 17 1 1 A 4 4 PHE N N 4 125.570 116.696 8.874 1
1 66 . 17 1 1 A 5 5 THR H H 5 8.880 8.436 0.444 1
1 67 . 17 1 1 A 5 5 THR HA H 5 4.490 4.644 -0.154 1
1 72 . 17 1 1 A 5 5 THR C C 5 175.297 175.348 -0.051 1
1 73 . 17 1 1 A 5 5 THR CA C 5 60.140 60.590 -0.450 1
1 74 . 17 1 1 A 5 5 THR CB C 5 70.922 70.426 0.496 1
1 76 . 17 1 1 A 5 5 THR N N 5 114.601 115.159 -0.558 1
1 77 . 17 1 1 A 6 6 GLU H H 6 9.000 9.199 -0.199 1
1 78 . 17 1 1 A 6 6 GLU HA H 6 4.142 4.095 0.047 1
1 83 . 17 1 1 A 6 6 GLU C C 6 179.326 178.304 1.022 1
1 84 . 17 1 1 A 6 6 GLU CA C 6 59.675 60.040 -0.365 1
1 85 . 17 1 1 A 6 6 GLU CB C 6 29.203 29.654 -0.451 1
1 87 . 17 1 1 A 6 6 GLU N N 6 121.577 126.619 -5.042 1
1 88 . 17 1 1 A 7 7 GLU H H 7 8.658 8.222 0.436 1
1 89 . 17 1 1 A 7 7 GLU HA H 7 4.026 3.989 0.037 1
1 94 . 17 1 1 A 7 7 GLU C C 7 179.616 178.829 0.787 1
1 95 . 17 1 1 A 7 7 GLU CA C 7 59.683 59.480 0.203 1
1 96 . 17 1 1 A 7 7 GLU CB C 7 28.972 29.226 -0.254 1
1 98 . 17 1 1 A 7 7 GLU N N 7 118.231 118.235 -0.004 1
1 99 . 17 1 1 A 8 8 GLU H H 8 7.930 8.429 -0.499 1
1 100 . 17 1 1 A 8 8 GLU HA H 8 3.955 4.035 -0.080 1
1 105 . 17 1 1 A 8 8 GLU C C 8 178.395 178.121 0.274 1
1 106 . 17 1 1 A 8 8 GLU CA C 8 59.672 59.386 0.286 1
1 107 . 17 1 1 A 8 8 GLU CB C 8 31.318 29.290 2.028 1
1 109 . 17 1 1 A 8 8 GLU N N 8 121.169 119.848 1.321 1
1 110 . 17 1 1 A 9 9 ASP H H 9 8.507 7.951 0.556 1
1 111 . 17 1 1 A 9 9 ASP HA H 9 4.677 4.180 0.497 1
1 114 . 17 1 1 A 9 9 ASP C C 9 179.329 177.979 1.350 1
1 115 . 17 1 1 A 9 9 ASP CA C 9 57.562 56.836 0.726 1
1 116 . 17 1 1 A 9 9 ASP CB C 9 40.217 41.399 -1.182 1
1 117 . 17 1 1 A 9 9 ASP N N 9 121.164 120.092 1.072 1
1 118 . 17 1 1 A 10 10 LEU H H 10 8.042 7.656 0.386 1
1 119 . 17 1 1 A 10 10 LEU HA H 10 4.143 4.027 0.116 1
1 129 . 17 1 1 A 10 10 LEU C C 10 179.329 178.951 0.378 1
1 130 . 17 1 1 A 10 10 LEU CA C 10 57.796 57.521 0.275 1
1 131 . 17 1 1 A 10 10 LEU CB C 10 41.392 41.051 0.341 1
1 135 . 17 1 1 A 10 10 LEU N N 10 120.628 119.682 0.946 1
1 136 . 17 1 1 A 11 11 LYS H H 11 8.040 8.447 -0.407 1
1 137 . 17 1 1 A 11 11 LYS HA H 11 4.049 3.955 0.094 1
1 146 . 17 1 1 A 11 11 LYS C C 11 178.345 179.230 -0.885 1
1 147 . 17 1 1 A 11 11 LYS CA C 11 59.199 60.091 -0.892 1
1 148 . 17 1 1 A 11 11 LYS CB C 11 32.488 32.488 0.000 1
1 152 . 17 1 1 A 11 11 LYS N N 11 121.016 118.602 2.414 1
1 153 . 17 1 1 A 12 12 LEU H H 12 8.865 8.069 0.796 1
1 154 . 17 1 1 A 12 12 LEU HA H 12 4.258 3.940 0.318 1
1 164 . 17 1 1 A 12 12 LEU C C 12 178.298 179.138 -0.840 1
1 165 . 17 1 1 A 12 12 LEU CA C 12 58.500 57.921 0.579 1
1 166 . 17 1 1 A 12 12 LEU CB C 12 41.389 41.483 -0.094 1
1 169 . 17 1 1 A 12 12 LEU N N 12 120.138 120.224 -0.086 1
1 170 . 17 1 1 A 13 13 GLN H H 13 8.400 7.795 0.605 1
1 171 . 17 1 1 A 13 13 GLN HA H 13 4.097 4.126 -0.029 1
1 178 . 17 1 1 A 13 13 GLN C C 13 178.254 177.984 0.270 1
1 179 . 17 1 1 A 13 13 GLN CA C 13 59.693 59.383 0.310 1
1 180 . 17 1 1 A 13 13 GLN CB C 13 28.733 28.387 0.346 1
1 182 . 17 1 1 A 13 13 GLN N N 13 117.136 118.620 -1.484 1
1 184 . 17 1 1 A 14 14 GLN H H 14 8.175 7.572 0.603 1
1 185 . 17 1 1 A 14 14 GLN HA H 14 3.980 4.189 -0.209 1
1 192 . 17 1 1 A 14 14 GLN C C 14 179.518 178.614 0.904 1
1 193 . 17 1 1 A 14 14 GLN CA C 14 58.745 58.242 0.503 1
1 194 . 17 1 1 A 14 14 GLN CB C 14 28.034 28.933 -0.899 1
1 196 . 17 1 1 A 14 14 GLN N N 14 117.947 118.178 -0.231 1
1 198 . 17 1 1 A 15 15 LEU H H 15 8.721 8.621 0.100 1
1 199 . 17 1 1 A 15 15 LEU HA H 15 4.143 3.961 0.182 1
1 209 . 17 1 1 A 15 15 LEU C C 15 178.956 179.031 -0.075 1
1 210 . 17 1 1 A 15 15 LEU CA C 15 57.562 58.066 -0.504 1
1 211 . 17 1 1 A 15 15 LEU CB C 15 42.801 42.350 0.451 1
1 215 . 17 1 1 A 15 15 LEU N N 15 120.641 120.212 0.429 1
1 216 . 17 1 1 A 16 16 VAL H H 16 8.603 8.460 0.143 1
1 217 . 17 1 1 A 16 16 VAL HA H 16 3.230 3.330 -0.100 1
1 225 . 17 1 1 A 16 16 VAL C C 16 179.988 178.091 1.897 1
1 226 . 17 1 1 A 16 16 VAL CA C 16 65.733 66.856 -1.123 1
1 227 . 17 1 1 A 16 16 VAL CB C 16 30.609 31.332 -0.723 1
1 230 . 17 1 1 A 16 16 VAL N N 16 120.873 117.528 3.345 1
1 231 . 17 1 1 A 17 17 MET H H 17 8.058 7.834 0.224 1
1 232 . 17 1 1 A 17 17 MET HA H 17 4.050 4.208 -0.158 1
1 237 . 17 1 1 A 17 17 MET C C 17 177.501 178.375 -0.874 1
1 238 . 17 1 1 A 17 17 MET CA C 17 58.270 58.088 0.182 1
1 239 . 17 1 1 A 17 17 MET CB C 17 31.784 32.252 -0.468 1
1 241 . 17 1 1 A 17 17 MET N N 17 119.240 120.092 -0.852 1
1 242 . 17 1 1 A 18 18 ARG H H 18 7.406 7.938 -0.532 1
1 243 . 17 1 1 A 18 18 ARG HA H 18 3.957 3.872 0.085 1
1 250 . 17 1 1 A 18 18 ARG C C 18 177.691 177.080 0.611 1
1 251 . 17 1 1 A 18 18 ARG CA C 18 58.301 58.255 0.046 1
1 252 . 17 1 1 A 18 18 ARG CB C 18 30.842 29.877 0.965 1
1 255 . 17 1 1 A 18 18 ARG N N 18 117.487 120.524 -3.037 1
1 256 . 17 1 1 A 19 19 TYR H H 19 8.571 7.295 1.276 1
1 257 . 17 1 1 A 19 19 TYR HA H 19 4.490 4.480 0.010 1
1 264 . 17 1 1 A 19 19 TYR C C 19 176.706 175.863 0.843 1
1 265 . 17 1 1 A 19 19 TYR CA C 19 58.739 57.636 1.103 1
1 266 . 17 1 1 A 19 19 TYR CB C 19 39.044 38.699 0.345 1
1 271 . 17 1 1 A 19 19 TYR N N 19 115.284 115.213 0.071 1
1 272 . 17 1 1 A 20 20 GLY H H 20 8.148 9.407 -1.259 1
1 273 . 17 1 1 A 20 20 GLY HA2 H 20 3.609 3.830 -0.221 1
1 274 . 17 1 1 A 20 20 GLY HA3 H 20 4.137 3.830 0.307 1
1 275 . 17 1 1 A 20 20 GLY C C 20 171.784 173.636 -1.852 1
1 276 . 17 1 1 A 20 20 GLY CA C 20 43.972 46.553 -2.581 1
1 277 . 17 1 1 A 20 20 GLY N N 20 110.830 108.388 2.442 1
1 278 . 17 1 1 A 21 21 ALA H H 21 7.886 7.538 0.348 1
1 279 . 17 1 1 A 21 21 ALA HA H 21 3.400 3.957 -0.557 1
1 283 . 17 1 1 A 21 21 ALA C C 21 176.002 176.926 -0.924 1
1 284 . 17 1 1 A 21 21 ALA CA C 21 49.825 51.083 -1.258 1
1 285 . 17 1 1 A 21 21 ALA CB C 21 17.960 18.640 -0.680 1
1 286 . 17 1 1 A 21 21 ALA N N 21 119.337 121.989 -2.652 1
1 287 . 17 1 1 A 22 22 LYS H H 22 7.424 7.623 -0.199 1
1 288 . 17 1 1 A 22 22 LYS HA H 22 4.258 4.595 -0.337 1
1 297 . 17 1 1 A 22 22 LYS C C 22 175.769 176.156 -0.387 1
1 298 . 17 1 1 A 22 22 LYS CA C 22 55.921 56.422 -0.501 1
1 299 . 17 1 1 A 22 22 LYS CB C 22 33.371 34.531 -1.160 1
1 303 . 17 1 1 A 22 22 LYS N N 22 115.793 114.348 1.445 1
1 304 . 17 1 1 A 23 23 ASP H H 23 7.724 7.513 0.211 1
1 305 . 17 1 1 A 23 23 ASP HA H 23 4.700 4.948 -0.248 1
1 308 . 17 1 1 A 23 23 ASP C C 23 176.142 176.228 -0.086 1
1 309 . 17 1 1 A 23 23 ASP CA C 23 51.704 52.978 -1.274 1
1 310 . 17 1 1 A 23 23 ASP CB C 23 39.514 40.795 -1.281 1
1 311 . 17 1 1 A 23 23 ASP N N 23 119.398 118.625 0.773 1
1 312 . 17 1 1 A 24 24 TRP H H 24 8.035 7.666 0.369 1
1 313 . 17 1 1 A 24 24 TRP HA H 24 4.258 4.223 0.035 1
1 322 . 17 1 1 A 24 24 TRP C C 24 178.252 178.856 -0.604 1
1 323 . 17 1 1 A 24 24 TRP CA C 24 58.736 59.772 -1.036 1
1 324 . 17 1 1 A 24 24 TRP CB C 24 28.970 29.265 -0.295 1
1 330 . 17 1 1 A 24 24 TRP N N 24 123.130 120.328 2.802 1
1 332 . 17 1 1 A 25 25 ILE H H 25 8.092 7.738 0.354 1
1 333 . 17 1 1 A 25 25 ILE HA H 25 3.724 3.764 -0.040 1
1 343 . 17 1 1 A 25 25 ILE C C 25 177.806 177.779 0.027 1
1 344 . 17 1 1 A 25 25 ILE CA C 25 65.060 64.727 0.333 1
1 345 . 17 1 1 A 25 25 ILE CB C 25 36.234 37.420 -1.186 1
1 349 . 17 1 1 A 25 25 ILE N N 25 121.518 116.748 4.770 1
1 350 . 17 1 1 A 26 26 ARG H H 26 7.503 7.643 -0.140 1
1 351 . 17 1 1 A 26 26 ARG HA H 26 3.864 3.962 -0.098 1
1 358 . 17 1 1 A 26 26 ARG C C 26 178.303 178.648 -0.345 1
1 359 . 17 1 1 A 26 26 ARG CA C 26 58.267 58.813 -0.546 1
1 360 . 17 1 1 A 26 26 ARG CB C 26 29.680 29.674 0.006 1
1 363 . 17 1 1 A 26 26 ARG N N 26 122.119 120.999 1.120 1
1 364 . 17 1 1 A 27 27 ILE H H 27 7.340 7.786 -0.446 1
1 365 . 17 1 1 A 27 27 ILE HA H 27 3.450 3.708 -0.258 1
1 375 . 17 1 1 A 27 27 ILE C C 27 177.689 178.660 -0.971 1
1 376 . 17 1 1 A 27 27 ILE CA C 27 63.893 65.105 -1.212 1
1 377 . 17 1 1 A 27 27 ILE CB C 27 36.474 37.178 -0.704 1
1 381 . 17 1 1 A 27 27 ILE N N 27 115.446 119.763 -4.317 1
1 382 . 17 1 1 A 28 28 SER H H 28 8.203 8.309 -0.106 1
1 383 . 17 1 1 A 28 28 SER HA H 28 4.144 4.308 -0.164 1
1 386 . 17 1 1 A 28 28 SER C C 28 177.220 176.988 0.232 1
1 387 . 17 1 1 A 28 28 SER CA C 28 61.085 61.508 -0.423 1
1 388 . 17 1 1 A 28 28 SER CB C 28 63.421 63.075 0.346 1
1 389 . 17 1 1 A 28 28 SER N N 28 113.324 117.080 -3.756 1
1 390 . 17 1 1 A 29 29 GLN H H 29 8.177 7.816 0.361 1
1 391 . 17 1 1 A 29 29 GLN HA H 29 4.003 4.042 -0.039 1
1 398 . 17 1 1 A 29 29 GLN C C 29 178.910 178.692 0.218 1
1 399 . 17 1 1 A 29 29 GLN CA C 29 58.503 58.972 -0.469 1
1 400 . 17 1 1 A 29 29 GLN CB C 29 27.796 28.147 -0.351 1
1 402 . 17 1 1 A 29 29 GLN N N 29 120.561 121.521 -0.960 1
1 404 . 17 1 1 A 30 30 LEU H H 30 7.494 7.477 0.017 1
1 405 . 17 1 1 A 30 30 LEU HA H 30 4.258 3.985 0.273 1
1 415 . 17 1 1 A 30 30 LEU C C 30 178.956 177.308 1.648 1
1 416 . 17 1 1 A 30 30 LEU CA C 30 55.675 57.654 -1.979 1
1 417 . 17 1 1 A 30 30 LEU CB C 30 42.559 41.544 1.015 1
1 421 . 17 1 1 A 30 30 LEU N N 30 118.106 120.330 -2.224 1
1 422 . 17 1 1 A 31 31 MET H H 31 8.399 7.186 1.213 1
1 423 . 17 1 1 A 31 31 MET HA H 31 4.329 4.851 -0.522 1
1 428 . 17 1 1 A 31 31 MET C C 31 179.515 175.648 3.867 1
1 429 . 17 1 1 A 31 31 MET CA C 31 55.921 54.042 1.879 1
1 430 . 17 1 1 A 31 31 MET CB C 31 31.310 32.362 -1.052 1
1 432 . 17 1 1 A 31 31 MET N N 31 120.008 115.947 4.061 1
1 433 . 17 1 1 A 32 32 ILE H H 32 8.177 8.167 0.010 1
1 434 . 17 1 1 A 32 32 ILE HA H 32 3.423 4.166 -0.743 1
1 444 . 17 1 1 A 32 32 ILE C C 32 179.473 176.797 2.676 1
1 445 . 17 1 1 A 32 32 ILE CA C 32 67.639 63.194 4.445 1
1 446 . 17 1 1 A 32 32 ILE CB C 32 35.767 37.893 -2.126 1
1 450 . 17 1 1 A 32 32 ILE N N 32 114.338 119.776 -5.438 1
1 451 . 17 1 1 A 33 33 THR H H 33 8.957 7.689 1.268 1
1 452 . 17 1 1 A 33 33 THR HA H 33 4.143 4.308 -0.165 1
1 457 . 17 1 1 A 33 33 THR C C 33 174.361 173.662 0.699 1
1 458 . 17 1 1 A 33 33 THR CA C 33 62.251 62.673 -0.422 1
1 459 . 17 1 1 A 33 33 THR CB C 33 68.581 69.268 -0.687 1
1 461 . 17 1 1 A 33 33 THR N N 33 110.164 112.520 -2.356 1
1 462 . 17 1 1 A 34 34 ARG H H 34 6.509 7.578 -1.069 1
1 463 . 17 1 1 A 34 34 ARG HA H 34 4.862 4.849 0.013 1
1 470 . 17 1 1 A 34 34 ARG C C 34 174.922 174.640 0.282 1
1 471 . 17 1 1 A 34 34 ARG CA C 34 51.939 54.684 -2.745 1
1 472 . 17 1 1 A 34 34 ARG CB C 34 36.061 33.304 2.757 1
1 475 . 17 1 1 A 34 34 ARG N N 34 116.058 118.896 -2.838 1
1 476 . 17 1 1 A 35 35 ASN H H 35 8.733 8.852 -0.119 1
1 477 . 17 1 1 A 35 35 ASN HA H 35 4.810 5.002 -0.192 1
1 482 . 17 1 1 A 35 35 ASN C C 35 173.986 175.298 -1.312 1
1 483 . 17 1 1 A 35 35 ASN CA C 35 52.107 51.730 0.377 1
1 484 . 17 1 1 A 35 35 ASN CB C 35 36.636 38.012 -1.376 1
1 485 . 17 1 1 A 35 35 ASN N N 35 122.840 118.853 3.987 1
1 487 . 17 1 1 A 36 36 PRO HA H 36 4.197 4.545 -0.348 1
1 494 . 17 1 1 A 36 36 PRO C C 36 178.019 178.782 -0.763 1
1 495 . 17 1 1 A 36 36 PRO CA C 36 67.412 65.309 2.103 1
1 496 . 17 1 1 A 36 36 PRO CB C 36 32.018 32.017 0.001 1
1 499 . 17 1 1 A 37 37 ARG H H 37 7.804 8.459 -0.655 1
1 500 . 17 1 1 A 37 37 ARG HA H 37 3.749 3.876 -0.127 1
1 507 . 17 1 1 A 37 37 ARG C C 37 178.300 178.954 -0.654 1
1 508 . 17 1 1 A 37 37 ARG CA C 37 59.202 58.801 0.401 1
1 509 . 17 1 1 A 37 37 ARG CB C 37 29.435 29.345 0.090 1
1 512 . 17 1 1 A 37 37 ARG N N 37 117.759 118.411 -0.652 1
1 513 . 17 1 1 A 38 38 GLN H H 38 8.682 8.293 0.389 1
1 514 . 17 1 1 A 38 38 GLN HA H 38 4.043 4.075 -0.032 1
1 521 . 17 1 1 A 38 38 GLN C C 38 180.078 178.663 1.415 1
1 522 . 17 1 1 A 38 38 GLN CA C 38 58.506 59.077 -0.571 1
1 523 . 17 1 1 A 38 38 GLN CB C 38 29.431 28.599 0.832 1
1 525 . 17 1 1 A 38 38 GLN N N 38 117.504 118.881 -1.377 1
1 527 . 17 1 1 A 39 39 CYS H H 39 8.095 7.963 0.132 1
1 528 . 17 1 1 A 39 39 CYS HA H 39 4.059 4.354 -0.295 1
1 531 . 17 1 1 A 39 39 CYS C C 39 173.893 177.134 -3.241 1
1 532 . 17 1 1 A 39 39 CYS CA C 39 64.592 63.154 1.438 1
1 533 . 17 1 1 A 39 39 CYS CB C 39 27.328 26.804 0.524 1
1 534 . 17 1 1 A 39 39 CYS N N 39 116.291 118.636 -2.345 1
1 535 . 17 1 1 A 40 40 ARG H H 40 7.589 7.538 0.051 1
1 536 . 17 1 1 A 40 40 ARG HA H 40 1.821 2.813 -0.992 1
1 543 . 17 1 1 A 40 40 ARG C C 40 178.204 178.717 -0.513 1
1 544 . 17 1 1 A 40 40 ARG CA C 40 58.264 58.950 -0.686 1
1 545 . 17 1 1 A 40 40 ARG CB C 40 29.440 29.283 0.157 1
1 548 . 17 1 1 A 40 40 ARG N N 40 121.272 122.168 -0.896 1
1 549 . 17 1 1 A 41 41 GLU H H 41 8.352 8.183 0.169 1
1 550 . 17 1 1 A 41 41 GLU HA H 41 3.817 3.982 -0.165 1
1 555 . 17 1 1 A 41 41 GLU C C 41 178.718 179.605 -0.887 1
1 556 . 17 1 1 A 41 41 GLU CA C 41 58.971 59.407 -0.436 1
1 557 . 17 1 1 A 41 41 GLU CB C 41 28.972 29.236 -0.264 1
1 559 . 17 1 1 A 41 41 GLU N N 41 117.034 117.280 -0.246 1
1 560 . 17 1 1 A 42 42 ARG H H 42 7.755 7.593 0.162 1
1 561 . 17 1 1 A 42 42 ARG HA H 42 3.931 4.213 -0.282 1
1 568 . 17 1 1 A 42 42 ARG C C 42 179.333 178.235 1.098 1
1 569 . 17 1 1 A 42 42 ARG CA C 42 57.261 59.284 -2.023 1
1 570 . 17 1 1 A 42 42 ARG CB C 42 29.610 30.057 -0.447 1
1 573 . 17 1 1 A 42 42 ARG N N 42 119.603 119.705 -0.102 1
1 574 . 17 1 1 A 43 43 TRP H H 43 8.199 8.124 0.075 1
1 575 . 17 1 1 A 43 43 TRP HA H 43 4.292 4.354 -0.062 1
1 579 . 17 1 1 A 43 43 TRP C C 43 176.705 178.416 -1.711 1
1 580 . 17 1 1 A 43 43 TRP CA C 43 57.006 61.317 -4.311 1
1 581 . 17 1 1 A 43 43 TRP CB C 43 29.620 29.683 -0.063 1
1 582 . 17 1 1 A 43 43 TRP N N 43 119.355 122.080 -2.725 1
1 584 . 17 1 1 A 44 44 ASN H H 44 8.478 7.822 0.656 1
1 585 . 17 1 1 A 44 44 ASN HA H 44 4.177 4.506 -0.329 1
1 590 . 17 1 1 A 44 44 ASN C C 44 176.986 177.171 -0.185 1
1 591 . 17 1 1 A 44 44 ASN CA C 44 55.457 55.880 -0.423 1
1 592 . 17 1 1 A 44 44 ASN CB C 44 38.347 38.640 -0.293 1
1 593 . 17 1 1 A 44 44 ASN N N 44 113.530 118.683 -5.153 1
1 595 . 17 1 1 A 45 45 ASN H H 45 8.060 8.150 -0.090 1
1 596 . 17 1 1 A 45 45 ASN HA H 45 4.630 4.742 -0.112 1
1 601 . 17 1 1 A 45 45 ASN C C 45 175.347 174.954 0.393 1
1 602 . 17 1 1 A 45 45 ASN CA C 45 53.350 53.691 -0.341 1
1 603 . 17 1 1 A 45 45 ASN CB C 45 39.047 39.080 -0.033 1
1 604 . 17 1 1 A 45 45 ASN N N 45 112.540 113.933 -1.393 1
1 606 . 17 1 1 A 46 46 TYR H H 46 7.443 7.928 -0.485 1
1 607 . 17 1 1 A 46 46 TYR HA H 46 4.447 4.891 -0.444 1
1 614 . 17 1 1 A 46 46 TYR C C 46 175.439 175.018 0.421 1
1 615 . 17 1 1 A 46 46 TYR CA C 46 60.074 59.175 0.899 1
1 616 . 17 1 1 A 46 46 TYR CB C 46 40.383 40.533 -0.150 1
1 621 . 17 1 1 A 46 46 TYR N N 46 117.403 118.698 -1.295 1
1 622 . 17 1 1 A 47 47 ILE HA H 47 3.786 4.608 -0.822 1
1 632 . 17 1 1 A 47 47 ILE C C 47 175.440 173.611 1.829 1
1 633 . 17 1 1 A 47 47 ILE CA C 47 62.240 59.129 3.111 1
1 634 . 17 1 1 A 47 47 ILE CB C 47 38.670 40.909 -2.239 1
1 638 . 17 1 1 A 48 48 ASN H H 48 7.922 8.618 -0.696 1
1 639 . 17 1 1 A 48 48 ASN HA H 48 3.795 4.275 -0.480 1
1 642 . 17 1 1 A 48 48 ASN C C 48 174.640 175.497 -0.857 1
1 643 . 17 1 1 A 48 48 ASN N N 48 119.990 120.322 -0.332 1
1 645 . 17 1 1 A 49 49 PRO HA H 49 4.166 4.452 -0.286 1
1 652 . 17 1 1 A 49 49 PRO C C 49 177.408 176.936 0.472 1
1 653 . 17 1 1 A 49 49 PRO CA C 49 64.124 63.442 0.682 1
1 654 . 17 1 1 A 49 49 PRO CB C 49 31.313 32.393 -1.080 1
1 657 . 17 1 1 A 50 50 ALA H H 50 7.595 7.898 -0.303 1
1 658 . 17 1 1 A 50 50 ALA HA H 50 4.128 4.029 0.099 1
1 662 . 17 1 1 A 50 50 ALA C C 50 178.251 177.781 0.470 1
1 663 . 17 1 1 A 50 50 ALA CA C 50 52.642 53.289 -0.647 1
1 664 . 17 1 1 A 50 50 ALA CB C 50 18.422 17.218 1.204 1
1 665 . 17 1 1 A 50 50 ALA N N 50 120.036 120.019 0.017 1
1 666 . 17 1 1 A 51 51 LEU H H 51 7.586 7.838 -0.252 1
1 667 . 17 1 1 A 51 51 LEU HA H 51 4.119 4.379 -0.260 1
1 677 . 17 1 1 A 51 51 LEU C C 51 177.686 177.490 0.196 1
1 678 . 17 1 1 A 51 51 LEU CA C 51 55.219 56.033 -0.814 1
1 679 . 17 1 1 A 51 51 LEU CB C 51 41.883 40.864 1.019 1
1 683 . 17 1 1 A 51 51 LEU N N 51 118.197 116.741 1.456 1
1 684 . 17 1 1 A 52 52 ARG H H 52 8.013 8.286 -0.273 1
1 685 . 17 1 1 A 52 52 ARG HA H 52 4.334 4.140 0.194 1
1 692 . 17 1 1 A 52 52 ARG C C 52 176.658 176.100 0.558 1
1 693 . 17 1 1 A 52 52 ARG CA C 52 55.923 58.286 -2.363 1
1 694 . 17 1 1 A 52 52 ARG CB C 52 31.086 30.019 1.067 1
1 697 . 17 1 1 A 52 52 ARG N N 52 119.899 120.089 -0.190 1
1 698 . 17 1 1 A 53 53 THR H H 53 8.187 7.450 0.737 1
1 699 . 17 1 1 A 53 53 THR HA H 53 4.345 4.538 -0.193 1
1 704 . 17 1 1 A 53 53 THR C C 53 173.892 172.764 1.128 1
1 705 . 17 1 1 A 53 53 THR CA C 53 60.611 60.857 -0.246 1
1 706 . 17 1 1 A 53 53 THR CB C 53 69.514 69.165 0.349 1
1 708 . 17 1 1 A 53 53 THR N N 53 113.907 112.726 1.181 1
1 709 . 17 1 1 A 54 54 ASP H H 54 8.430 8.294 0.136 1
1 710 . 17 1 1 A 54 54 ASP HA H 54 4.810 5.218 -0.408 1
1 713 . 17 1 1 A 54 54 ASP C C 54 174.082 173.165 0.917 1
1 714 . 17 1 1 A 54 54 ASP CA C 54 52.578 51.540 1.038 1
1 715 . 17 1 1 A 54 54 ASP CB C 54 39.685 41.681 -1.996 1
1 716 . 17 1 1 A 54 54 ASP N N 54 123.174 125.795 -2.621 1
1 717 . 17 1 1 A 55 55 PRO HA H 55 4.561 4.619 -0.058 1
1 724 . 17 1 1 A 55 55 PRO C C 55 177.127 176.772 0.355 1
1 725 . 17 1 1 A 55 55 PRO CA C 55 62.958 62.427 0.531 1
1 726 . 17 1 1 A 55 55 PRO CB C 55 32.013 32.111 -0.098 1
1 729 . 17 1 1 A 56 56 TRP H H 56 8.721 7.995 0.726 1
1 730 . 17 1 1 A 56 56 TRP HA H 56 4.351 4.882 -0.531 1
1 739 . 17 1 1 A 56 56 TRP C C 56 177.127 175.577 1.550 1
1 740 . 17 1 1 A 56 56 TRP CA C 56 57.796 56.881 0.915 1
1 741 . 17 1 1 A 56 56 TRP CB C 56 28.732 30.960 -2.228 1
1 747 . 17 1 1 A 56 56 TRP N N 56 124.713 120.392 4.321 1
1 749 . 17 1 1 A 57 57 SER H H 57 9.085 9.049 0.036 1
1 750 . 17 1 1 A 57 57 SER HA H 57 4.957 4.884 0.073 1
1 753 . 17 1 1 A 57 57 SER C C 57 173.562 174.361 -0.799 1
1 754 . 17 1 1 A 57 57 SER CA C 57 55.852 56.333 -0.481 1
1 755 . 17 1 1 A 57 57 SER CB C 57 63.824 66.137 -2.313 1
1 756 . 17 1 1 A 57 57 SER N N 57 122.041 114.754 7.287 1
1 757 . 17 1 1 A 58 58 PRO HA H 58 4.444 4.328 0.116 1
1 764 . 17 1 1 A 58 58 PRO C C 58 179.777 178.723 1.054 1
1 765 . 17 1 1 A 58 58 PRO CA C 58 65.071 65.145 -0.074 1
1 766 . 17 1 1 A 58 58 PRO CB C 58 31.546 31.964 -0.418 1
1 769 . 17 1 1 A 59 59 GLU H H 59 8.788 8.469 0.319 1
1 770 . 17 1 1 A 59 59 GLU HA H 59 4.088 4.115 -0.027 1
1 775 . 17 1 1 A 59 59 GLU C C 59 179.656 179.253 0.403 1
1 776 . 17 1 1 A 59 59 GLU CA C 59 60.373 59.922 0.451 1
1 777 . 17 1 1 A 59 59 GLU CB C 59 28.505 29.192 -0.687 1
1 779 . 17 1 1 A 59 59 GLU N N 59 117.546 117.235 0.311 1
1 780 . 17 1 1 A 60 60 GLU H H 60 7.977 8.104 -0.127 1
1 781 . 17 1 1 A 60 60 GLU HA H 60 4.015 4.084 -0.069 1
1 786 . 17 1 1 A 60 60 GLU C C 60 178.440 178.812 -0.372 1
1 787 . 17 1 1 A 60 60 GLU CA C 60 59.913 59.052 0.861 1
1 788 . 17 1 1 A 60 60 GLU CB C 60 31.541 28.722 2.819 1
1 790 . 17 1 1 A 60 60 GLU N N 60 122.264 119.840 2.424 1
1 791 . 17 1 1 A 61 61 ASP H H 61 8.267 8.195 0.072 1
1 792 . 17 1 1 A 61 61 ASP HA H 61 4.654 4.529 0.125 1
1 795 . 17 1 1 A 61 61 ASP C C 61 179.469 178.606 0.863 1
1 796 . 17 1 1 A 61 61 ASP CA C 61 57.562 57.692 -0.130 1
1 797 . 17 1 1 A 61 61 ASP CB C 61 39.987 41.698 -1.711 1
1 798 . 17 1 1 A 61 61 ASP N N 61 120.543 120.315 0.228 1
1 799 . 17 1 1 A 62 62 MET H H 62 8.139 8.292 -0.153 1
1 800 . 17 1 1 A 62 62 MET HA H 62 4.284 4.213 0.071 1
1 805 . 17 1 1 A 62 62 MET C C 62 178.811 178.361 0.450 1
1 806 . 17 1 1 A 62 62 MET CA C 62 58.505 58.829 -0.324 1
1 807 . 17 1 1 A 62 62 MET CB C 62 32.251 32.943 -0.692 1
1 809 . 17 1 1 A 62 62 MET N N 62 119.343 117.693 1.650 1
1 810 . 17 1 1 A 63 63 LEU H H 63 7.959 7.907 0.052 1
1 811 . 17 1 1 A 63 63 LEU HA H 63 4.212 4.059 0.153 1
1 821 . 17 1 1 A 63 63 LEU C C 63 177.642 178.388 -0.746 1
1 822 . 17 1 1 A 63 63 LEU CA C 63 57.562 57.208 0.354 1
1 823 . 17 1 1 A 63 63 LEU CB C 63 42.096 41.544 0.552 1
1 827 . 17 1 1 A 63 63 LEU N N 63 122.676 120.853 1.823 1
1 828 . 17 1 1 A 64 64 LEU H H 64 8.784 8.559 0.225 1
1 829 . 17 1 1 A 64 64 LEU HA H 64 4.119 3.897 0.222 1
1 839 . 17 1 1 A 64 64 LEU C C 64 177.515 177.855 -0.340 1
1 840 . 17 1 1 A 64 64 LEU CA C 64 58.738 57.869 0.869 1
1 841 . 17 1 1 A 64 64 LEU CB C 64 41.395 41.560 -0.165 1
1 845 . 17 1 1 A 64 64 LEU N N 64 120.877 120.398 0.479 1
1 846 . 17 1 1 A 65 65 ASP H H 65 8.085 8.141 -0.056 1
1 847 . 17 1 1 A 65 65 ASP HA H 65 4.630 4.325 0.305 1
1 850 . 17 1 1 A 65 65 ASP C C 65 179.391 178.212 1.179 1
1 851 . 17 1 1 A 65 65 ASP CA C 65 57.566 57.563 0.003 1
1 852 . 17 1 1 A 65 65 ASP CB C 65 41.626 42.179 -0.553 1
1 853 . 17 1 1 A 65 65 ASP N N 65 118.583 119.043 -0.460 1
1 854 . 17 1 1 A 66 66 GLN H H 66 8.336 7.815 0.521 1
1 855 . 17 1 1 A 66 66 GLN HA H 66 4.050 4.125 -0.075 1
1 862 . 17 1 1 A 66 66 GLN C C 66 179.565 178.530 1.035 1
1 863 . 17 1 1 A 66 66 GLN CA C 66 58.739 58.336 0.403 1
1 864 . 17 1 1 A 66 66 GLN CB C 66 28.502 28.520 -0.018 1
1 866 . 17 1 1 A 66 66 GLN N N 66 118.725 117.778 0.947 1
1 868 . 17 1 1 A 67 67 LYS H H 67 9.126 7.755 1.371 1
1 869 . 17 1 1 A 67 67 LYS HA H 67 4.142 4.052 0.090 1
1 878 . 17 1 1 A 67 67 LYS C C 67 178.671 178.654 0.017 1
1 879 . 17 1 1 A 67 67 LYS CA C 67 56.156 58.849 -2.693 1
1 880 . 17 1 1 A 67 67 LYS CB C 67 31.550 32.653 -1.103 1
1 884 . 17 1 1 A 67 67 LYS N N 67 117.220 120.156 -2.936 1
1 885 . 17 1 1 A 68 68 TYR H H 68 9.361 8.596 0.765 1
1 886 . 17 1 1 A 68 68 TYR HA H 68 3.819 4.092 -0.273 1
1 893 . 17 1 1 A 68 68 TYR C C 68 179.235 177.645 1.590 1
1 894 . 17 1 1 A 68 68 TYR CA C 68 61.547 61.901 -0.354 1
1 895 . 17 1 1 A 68 68 TYR CB C 68 37.881 38.421 -0.540 1
1 900 . 17 1 1 A 68 68 TYR N N 68 123.884 120.860 3.024 1
1 901 . 17 1 1 A 69 69 ALA H H 69 7.810 7.945 -0.135 1
1 902 . 17 1 1 A 69 69 ALA HA H 69 3.980 4.021 -0.041 1
1 906 . 17 1 1 A 69 69 ALA C C 69 178.673 179.060 -0.387 1
1 907 . 17 1 1 A 69 69 ALA CA C 69 54.755 55.195 -0.440 1
1 908 . 17 1 1 A 69 69 ALA CB C 69 17.253 18.558 -1.305 1
1 909 . 17 1 1 A 69 69 ALA N N 69 121.733 121.581 0.152 1
1 910 . 17 1 1 A 70 70 GLU H H 70 7.091 7.734 -0.643 1
1 911 . 17 1 1 A 70 70 GLU HA H 70 3.848 4.044 -0.196 1
1 916 . 17 1 1 A 70 70 GLU C C 70 178.018 177.595 0.423 1
1 917 . 17 1 1 A 70 70 GLU CA C 70 58.566 58.239 0.327 1
1 918 . 17 1 1 A 70 70 GLU CB C 70 30.609 30.198 0.411 1
1 920 . 17 1 1 A 70 70 GLU N N 70 115.850 116.906 -1.056 1
1 921 . 17 1 1 A 71 71 TYR H H 71 8.270 8.015 0.255 1
1 922 . 17 1 1 A 71 71 TYR HA H 71 4.537 4.302 0.235 1
1 929 . 17 1 1 A 71 71 TYR C C 71 177.174 176.036 1.138 1
1 930 . 17 1 1 A 71 71 TYR CA C 71 57.796 59.271 -1.475 1
1 931 . 17 1 1 A 71 71 TYR CB C 71 40.219 38.775 1.444 1
1 936 . 17 1 1 A 71 71 TYR N N 71 114.509 116.581 -2.072 1
1 937 . 17 1 1 A 72 72 GLY H H 72 8.417 7.793 0.624 1
1 938 . 17 1 1 A 72 72 GLY HA2 H 72 3.720 2.579 1.141 1
1 939 . 17 1 1 A 72 72 GLY HA3 H 72 2.255 3.553 -1.298 1
1 940 . 17 1 1 A 72 72 GLY C C 72 172.111 173.739 -1.628 1
1 941 . 17 1 1 A 72 72 GLY CA C 72 43.439 43.631 -0.192 1
1 942 . 17 1 1 A 72 72 GLY N N 72 111.509 106.505 5.004 1
1 943 . 17 1 1 A 73 73 PRO HA H 73 2.587 2.940 -0.353 1
1 950 . 17 1 1 A 73 73 PRO C C 73 175.393 175.220 0.173 1
1 951 . 17 1 1 A 73 73 PRO CA C 73 62.018 62.908 -0.890 1
1 952 . 17 1 1 A 73 73 PRO CB C 73 28.033 31.849 -3.816 1
1 955 . 17 1 1 A 74 74 LYS H H 74 8.065 7.905 0.160 1
1 956 . 17 1 1 A 74 74 LYS HA H 74 4.259 4.282 -0.023 1
1 965 . 17 1 1 A 74 74 LYS C C 74 177.220 176.231 0.989 1
1 966 . 17 1 1 A 74 74 LYS CA C 74 52.641 54.630 -1.989 1
1 967 . 17 1 1 A 74 74 LYS CB C 74 30.145 30.216 -0.071 1
1 971 . 17 1 1 A 74 74 LYS N N 74 125.996 120.238 5.758 1
1 972 . 17 1 1 A 75 75 TRP H H 75 6.735 7.022 -0.287 1
1 973 . 17 1 1 A 75 75 TRP HA H 75 4.305 4.393 -0.088 1
1 982 . 17 1 1 A 75 75 TRP C C 75 177.174 178.401 -1.227 1
1 983 . 17 1 1 A 75 75 TRP CA C 75 58.969 59.996 -1.027 1
1 984 . 17 1 1 A 75 75 TRP CB C 75 29.668 28.751 0.917 1
1 990 . 17 1 1 A 75 75 TRP N N 75 122.056 121.654 0.402 1
1 992 . 17 1 1 A 76 76 ASN H H 76 8.732 8.331 0.401 1
1 993 . 17 1 1 A 76 76 ASN HA H 76 4.606 4.467 0.139 1
1 998 . 17 1 1 A 76 76 ASN C C 76 177.830 176.870 0.960 1
1 999 . 17 1 1 A 76 76 ASN CA C 76 55.925 56.398 -0.473 1
1 1000 . 17 1 1 A 76 76 ASN CB C 76 37.876 38.593 -0.717 1
1 1001 . 17 1 1 A 76 76 ASN N N 76 114.266 119.945 -5.679 1
1 1003 . 17 1 1 A 77 77 LYS H H 77 7.401 7.978 -0.577 1
1 1004 . 17 1 1 A 77 77 LYS HA H 77 3.979 3.982 -0.003 1
1 1013 . 17 1 1 A 77 77 LYS C C 77 178.859 179.225 -0.366 1
1 1014 . 17 1 1 A 77 77 LYS CA C 77 57.800 58.487 -0.687 1
1 1015 . 17 1 1 A 77 77 LYS CB C 77 31.545 32.360 -0.815 1
1 1019 . 17 1 1 A 77 77 LYS N N 77 120.857 118.425 2.432 1
1 1020 . 17 1 1 A 78 78 ILE H H 78 7.754 7.663 0.091 1
1 1021 . 17 1 1 A 78 78 ILE HA H 78 3.679 3.737 -0.058 1
1 1031 . 17 1 1 A 78 78 ILE C C 78 178.202 178.093 0.109 1
1 1032 . 17 1 1 A 78 78 ILE CA C 78 65.997 65.153 0.844 1
1 1033 . 17 1 1 A 78 78 ILE CB C 78 38.343 38.097 0.246 1
1 1037 . 17 1 1 A 78 78 ILE N N 78 118.290 121.347 -3.057 1
1 1038 . 17 1 1 A 79 79 SER H H 79 8.386 8.410 -0.024 1
1 1039 . 17 1 1 A 79 79 SER HA H 79 4.049 4.139 -0.090 1
1 1042 . 17 1 1 A 79 79 SER C C 79 175.627 176.230 -0.603 1
1 1043 . 17 1 1 A 79 79 SER CA C 79 61.084 61.125 -0.041 1
1 1044 . 17 1 1 A 79 79 SER CB C 79 62.720 63.084 -0.364 1
1 1045 . 17 1 1 A 79 79 SER N N 79 114.363 115.596 -1.233 1
1 1046 . 17 1 1 A 80 80 LYS H H 80 7.017 7.944 -0.927 1
1 1047 . 17 1 1 A 80 80 LYS HA H 80 4.005 4.122 -0.117 1
1 1056 . 17 1 1 A 80 80 LYS C C 80 177.361 177.677 -0.316 1
1 1057 . 17 1 1 A 80 80 LYS CA C 80 57.098 57.920 -0.822 1
1 1058 . 17 1 1 A 80 80 LYS CB C 80 31.083 32.319 -1.236 1
1 1062 . 17 1 1 A 80 80 LYS N N 80 118.534 120.008 -1.474 1
1 1063 . 17 1 1 A 81 81 PHE H H 81 7.932 8.323 -0.391 1
1 1064 . 17 1 1 A 81 81 PHE HA H 81 4.467 4.370 0.097 1
1 1071 . 17 1 1 A 81 81 PHE C C 81 174.969 177.402 -2.433 1
1 1072 . 17 1 1 A 81 81 PHE CA C 81 58.500 60.553 -2.053 1
1 1073 . 17 1 1 A 81 81 PHE CB C 81 39.516 39.153 0.363 1
1 1078 . 17 1 1 A 81 81 PHE N N 81 114.880 117.397 -2.517 1
1 1079 . 17 1 1 A 82 82 LEU H H 82 7.487 7.216 0.271 1
1 1080 . 17 1 1 A 82 82 LEU HA H 82 4.666 4.292 0.374 1
1 1090 . 17 1 1 A 82 82 LEU C C 82 175.107 177.486 -2.379 1
1 1091 . 17 1 1 A 82 82 LEU CA C 82 52.875 56.581 -3.706 1
1 1092 . 17 1 1 A 82 82 LEU CB C 82 42.802 42.205 0.597 1
1 1096 . 17 1 1 A 82 82 LEU N N 82 122.945 119.104 3.841 1
1 1097 . 17 1 1 A 83 83 LYS H H 83 8.256 8.082 0.174 1
1 1098 . 17 1 1 A 83 83 LYS HA H 83 4.120 4.039 0.081 1
1 1107 . 17 1 1 A 83 83 LYS C C 83 176.236 176.848 -0.612 1
1 1108 . 17 1 1 A 83 83 LYS CA C 83 56.630 57.759 -1.129 1
1 1109 . 17 1 1 A 83 83 LYS CB C 83 31.786 32.102 -0.316 1
1 1113 . 17 1 1 A 83 83 LYS N N 83 118.856 118.985 -0.129 1
1 1114 . 17 1 1 A 84 84 ASN H H 84 8.684 8.226 0.458 1
1 1115 . 17 1 1 A 84 84 ASN HA H 84 4.304 4.839 -0.535 1
1 1120 . 17 1 1 A 84 84 ASN C C 84 173.846 175.555 -1.709 1
1 1121 . 17 1 1 A 84 84 ASN CA C 84 53.816 53.772 0.044 1
1 1122 . 17 1 1 A 84 84 ASN CB C 84 37.176 40.620 -3.444 1
1 1123 . 17 1 1 A 84 84 ASN N N 84 116.099 116.215 -0.116 1
1 1125 . 17 1 1 A 85 85 ARG H H 85 7.665 7.735 -0.070 1
1 1126 . 17 1 1 A 85 85 ARG HA H 85 4.675 4.747 -0.072 1
1 1132 . 17 1 1 A 85 85 ARG C C 85 175.529 175.062 0.467 1
1 1133 . 17 1 1 A 85 85 ARG CA C 85 53.112 54.146 -1.034 1
1 1134 . 17 1 1 A 85 85 ARG CB C 85 31.783 33.280 -1.497 1
1 1137 . 17 1 1 A 85 85 ARG N N 85 116.162 117.940 -1.778 1
1 1139 . 17 1 1 A 86 86 SER H H 86 8.864 8.342 0.522 1
1 1140 . 17 1 1 A 86 86 SER HA H 86 4.488 4.980 -0.492 1
1 1143 . 17 1 1 A 86 86 SER C C 86 174.407 175.362 -0.955 1
1 1144 . 17 1 1 A 86 86 SER CA C 86 57.093 55.645 1.448 1
1 1145 . 17 1 1 A 86 86 SER CB C 86 64.840 66.701 -1.861 1
1 1146 . 17 1 1 A 86 86 SER N N 86 119.204 112.753 6.451 1
1 1147 . 17 1 1 A 87 87 ASP H H 87 8.784 8.763 0.021 1
1 1148 . 17 1 1 A 87 87 ASP HA H 87 4.095 4.355 -0.260 1
1 1151 . 17 1 1 A 87 87 ASP C C 87 178.111 178.255 -0.144 1
1 1152 . 17 1 1 A 87 87 ASP CA C 87 57.801 57.153 0.648 1
1 1153 . 17 1 1 A 87 87 ASP CB C 87 39.056 39.713 -0.657 1
1 1154 . 17 1 1 A 87 87 ASP N N 87 121.415 120.965 0.450 1
1 1155 . 17 1 1 A 88 88 ASN H H 88 8.491 8.116 0.375 1
1 1156 . 17 1 1 A 88 88 ASN HA H 88 4.166 4.400 -0.234 1
1 1161 . 17 1 1 A 88 88 ASN C C 88 176.842 177.341 -0.499 1
1 1162 . 17 1 1 A 88 88 ASN CA C 88 55.458 56.283 -0.825 1
1 1163 . 17 1 1 A 88 88 ASN CB C 88 38.103 39.234 -1.131 1
1 1164 . 17 1 1 A 88 88 ASN N N 88 115.811 118.283 -2.472 1
1 1166 . 17 1 1 A 89 89 ASN H H 89 7.959 7.788 0.171 1
1 1167 . 17 1 1 A 89 89 ASN HA H 89 4.422 4.490 -0.068 1
1 1172 . 17 1 1 A 89 89 ASN C C 89 178.159 177.926 0.233 1
1 1173 . 17 1 1 A 89 89 ASN CA C 89 56.632 55.656 0.976 1
1 1174 . 17 1 1 A 89 89 ASN CB C 89 39.749 38.566 1.183 1
1 1175 . 17 1 1 A 89 89 ASN N N 89 120.679 117.442 3.237 1
1 1177 . 17 1 1 A 90 90 ILE H H 90 8.373 8.159 0.214 1
1 1178 . 17 1 1 A 90 90 ILE HA H 90 3.840 3.963 -0.123 1
1 1188 . 17 1 1 A 90 90 ILE C C 90 176.191 177.584 -1.393 1
1 1189 . 17 1 1 A 90 90 ILE CA C 90 65.298 64.961 0.337 1
1 1190 . 17 1 1 A 90 90 ILE CB C 90 38.109 37.381 0.728 1
1 1194 . 17 1 1 A 90 90 ILE N N 90 120.840 119.922 0.918 1
1 1195 . 17 1 1 A 91 91 ARG H H 91 7.749 8.223 -0.474 1
1 1196 . 17 1 1 A 91 91 ARG HA H 91 2.077 3.313 -1.236 1
1 1203 . 17 1 1 A 91 91 ARG C C 91 178.063 177.739 0.324 1
1 1204 . 17 1 1 A 91 91 ARG CA C 91 58.500 58.941 -0.441 1
1 1205 . 17 1 1 A 91 91 ARG CB C 91 28.969 29.687 -0.718 1
1 1208 . 17 1 1 A 91 91 ARG N N 91 120.230 120.154 0.076 1
1 1209 . 17 1 1 A 92 92 ASN H H 92 7.959 7.984 -0.025 1
1 1210 . 17 1 1 A 92 92 ASN HA H 92 4.167 4.393 -0.226 1
1 1215 . 17 1 1 A 92 92 ASN C C 92 177.689 177.885 -0.196 1
1 1216 . 17 1 1 A 92 92 ASN CA C 92 55.640 56.024 -0.384 1
1 1217 . 17 1 1 A 92 92 ASN CB C 92 37.644 38.700 -1.056 1
1 1218 . 17 1 1 A 92 92 ASN N N 92 115.405 117.829 -2.424 1
1 1220 . 17 1 1 A 93 93 ARG H H 93 7.872 8.734 -0.862 1
1 1221 . 17 1 1 A 93 93 ARG HA H 93 3.610 3.880 -0.270 1
1 1229 . 17 1 1 A 93 93 ARG C C 93 177.737 178.685 -0.948 1
1 1230 . 17 1 1 A 93 93 ARG CA C 93 57.263 58.755 -1.492 1
1 1231 . 17 1 1 A 93 93 ARG CB C 93 29.141 29.428 -0.287 1
1 1234 . 17 1 1 A 93 93 ARG N N 93 122.360 119.772 2.588 1
1 1236 . 17 1 1 A 94 94 TRP H H 94 8.411 8.475 -0.064 1
1 1237 . 17 1 1 A 94 94 TRP HA H 94 3.818 4.374 -0.556 1
1 1241 . 17 1 1 A 94 94 TRP N N 94 119.510 121.870 -2.360 1
1 1243 . 17 1 1 A 95 95 MET HA H 95 3.725 3.955 -0.230 1
1 1246 . 17 1 1 A 95 95 MET C C 95 178.580 177.943 0.637 1
1 1247 . 17 1 1 A 95 95 MET CA C 95 57.807 57.397 0.410 1
1 1248 . 17 1 1 A 95 95 MET CB C 95 32.023 32.171 -0.148 1
1 1249 . 17 1 1 A 96 96 MET H H 96 7.580 7.312 0.268 1
1 1250 . 17 1 1 A 96 96 MET HA H 96 3.980 3.982 -0.002 1
1 1255 . 17 1 1 A 96 96 MET C C 96 178.344 177.655 0.689 1
1 1256 . 17 1 1 A 96 96 MET CA C 96 58.033 57.535 0.498 1
1 1257 . 17 1 1 A 96 96 MET CB C 96 31.783 32.160 -0.377 1
1 1259 . 17 1 1 A 96 96 MET N N 96 118.340 118.723 -0.383 1
1 1260 . 17 1 1 A 97 97 ILE H H 97 7.884 7.450 0.434 1
1 1261 . 17 1 1 A 97 97 ILE HA H 97 3.583 3.674 -0.091 1
1 1271 . 17 1 1 A 97 97 ILE C C 97 178.154 177.639 0.515 1
1 1272 . 17 1 1 A 97 97 ILE CA C 97 63.656 63.595 0.061 1
1 1273 . 17 1 1 A 97 97 ILE CB C 97 37.637 36.717 0.920 1
1 1277 . 17 1 1 A 97 97 ILE N N 97 120.158 118.754 1.404 1
1 1278 . 17 1 1 A 98 98 ALA H H 98 8.064 8.186 -0.122 1
1 1279 . 17 1 1 A 98 98 ALA HA H 98 3.515 3.671 -0.156 1
1 1283 . 17 1 1 A 98 98 ALA C C 98 180.224 179.020 1.204 1
1 1284 . 17 1 1 A 98 98 ALA CA C 98 54.283 54.559 -0.276 1
1 1285 . 17 1 1 A 98 98 ALA CB C 98 17.251 17.285 -0.034 1
1 1286 . 17 1 1 A 98 98 ALA N N 98 123.446 123.502 -0.056 1
1 1287 . 17 1 1 A 99 99 ARG H H 99 7.623 7.136 0.487 1
1 1288 . 17 1 1 A 99 99 ARG HA H 99 3.934 4.092 -0.158 1
1 1295 . 17 1 1 A 99 99 ARG C C 99 177.923 177.908 0.015 1
1 1296 . 17 1 1 A 99 99 ARG CA C 99 57.968 57.517 0.451 1
1 1297 . 17 1 1 A 99 99 ARG CB C 99 29.606 30.157 -0.551 1
1 1300 . 17 1 1 A 99 99 ARG N N 99 117.538 117.554 -0.016 1
1 1301 . 17 1 1 A 100 100 HIS H H 100 7.797 7.445 0.352 1
1 1302 . 17 1 1 A 100 100 HIS HA H 100 4.409 4.408 0.001 1
1 1307 . 17 1 1 A 100 100 HIS C C 100 176.575 177.341 -0.766 1
1 1308 . 17 1 1 A 100 100 HIS CA C 100 57.109 59.000 -1.891 1
1 1309 . 17 1 1 A 100 100 HIS CB C 100 29.204 30.374 -1.170 1
1 1312 . 17 1 1 A 100 100 HIS N N 100 118.311 117.236 1.075 1
1 1313 . 17 1 1 A 101 101 ARG H H 101 8.057 8.310 -0.253 1
1 1314 . 17 1 1 A 101 101 ARG HA H 101 4.062 4.005 0.057 1
1 1321 . 17 1 1 A 101 101 ARG C C 101 177.220 178.720 -1.500 1
1 1322 . 17 1 1 A 101 101 ARG CA C 101 57.556 59.055 -1.499 1
1 1323 . 17 1 1 A 101 101 ARG CB C 101 30.157 29.502 0.655 1
1 1326 . 17 1 1 A 101 101 ARG N N 101 119.935 120.266 -0.331 1
1 1327 . 17 1 1 A 102 102 ALA H H 102 7.917 7.941 -0.024 1
1 1328 . 17 1 1 A 102 102 ALA HA H 102 4.167 4.097 0.070 1
1 1332 . 17 1 1 A 102 102 ALA C C 102 178.532 178.912 -0.380 1
1 1333 . 17 1 1 A 102 102 ALA CA C 102 53.103 54.236 -1.133 1
1 1334 . 17 1 1 A 102 102 ALA CB C 102 18.447 18.206 0.241 1
1 1335 . 17 1 1 A 102 102 ALA N N 102 122.678 122.414 0.264 1
1 1336 . 17 1 1 A 103 103 LYS H H 103 7.884 7.647 0.237 1
1 1337 . 17 1 1 A 103 103 LYS HA H 103 4.121 4.272 -0.151 1
1 1346 . 17 1 1 A 103 103 LYS C C 103 177.080 178.290 -1.210 1
1 1347 . 17 1 1 A 103 103 LYS CA C 103 56.856 58.041 -1.185 1
1 1348 . 17 1 1 A 103 103 LYS CB C 103 32.480 33.264 -0.784 1
1 1352 . 17 1 1 A 103 103 LYS N N 103 118.773 117.144 1.629 1
1 1353 . 17 1 1 A 104 104 HIS H H 104 8.118 7.847 0.271 1
1 1354 . 17 1 1 A 104 104 HIS HA H 104 4.560 4.600 -0.040 1
1 1359 . 17 1 1 A 104 104 HIS C C 104 175.204 175.631 -0.427 1
1 1360 . 17 1 1 A 104 104 HIS CA C 104 55.932 57.145 -1.213 1
1 1361 . 17 1 1 A 104 104 HIS CB C 104 29.448 28.840 0.608 1
1 1364 . 17 1 1 A 104 104 HIS N N 104 118.685 117.531 1.154 1
1 1365 . 17 1 1 A 105 105 GLN H H 105 8.233 7.792 0.441 1
1 1366 . 17 1 1 A 105 105 GLN HA H 105 4.218 4.236 -0.018 1
1 1373 . 17 1 1 A 105 105 GLN C C 105 176.172 175.979 0.193 1
1 1374 . 17 1 1 A 105 105 GLN CA C 105 56.130 54.555 1.575 1
1 1375 . 17 1 1 A 105 105 GLN CB C 105 28.976 27.112 1.864 1
1 1377 . 17 1 1 A 105 105 GLN N N 105 121.104 120.789 0.315 1
1 1379 . 17 1 1 A 106 106 LYS H H 106 8.346 8.759 -0.413 1
1 1380 . 17 1 1 A 106 106 LYS HA H 106 4.239 3.842 0.397 1
1 1389 . 17 1 1 A 106 106 LYS C C 106 177.022 175.627 1.395 1
1 1390 . 17 1 1 A 106 106 LYS CA C 106 56.647 57.819 -1.172 1
1 1391 . 17 1 1 A 106 106 LYS CB C 106 32.481 30.292 2.189 1
1 1395 . 17 1 1 A 106 106 LYS N N 106 122.274 115.449 6.825 1
1 16 . 18 1 1 A 2 2 VAL H H 2 8.319 8.607 -0.288 1
1 17 . 18 1 1 A 2 2 VAL HA H 2 4.096 4.153 -0.057 1
1 25 . 18 1 1 A 2 2 VAL C C 2 176.167 177.203 -1.036 1
1 26 . 18 1 1 A 2 2 VAL CA C 2 67.781 60.986 6.795 1
1 27 . 18 1 1 A 2 2 VAL CB C 2 32.484 31.553 0.931 1
1 30 . 18 1 1 A 2 2 VAL N N 2 122.596 125.404 -2.808 1
1 31 . 18 1 1 A 3 3 LYS H H 3 8.470 8.415 0.055 1
1 32 . 18 1 1 A 3 3 LYS HA H 3 4.327 3.974 0.353 1
1 41 . 18 1 1 A 3 3 LYS C C 3 176.713 176.891 -0.178 1
1 42 . 18 1 1 A 3 3 LYS CA C 3 56.391 59.231 -2.840 1
1 43 . 18 1 1 A 3 3 LYS CB C 3 32.723 32.469 0.254 1
1 47 . 18 1 1 A 3 3 LYS N N 3 127.359 123.782 3.577 1
1 48 . 18 1 1 A 4 4 PHE H H 4 8.471 7.113 1.358 1
1 49 . 18 1 1 A 4 4 PHE HA H 4 4.491 4.525 -0.034 1
1 57 . 18 1 1 A 4 4 PHE C C 4 177.923 175.124 2.799 1
1 58 . 18 1 1 A 4 4 PHE CA C 4 57.566 57.202 0.364 1
1 59 . 18 1 1 A 4 4 PHE CB C 4 39.751 39.536 0.215 1
1 65 . 18 1 1 A 4 4 PHE N N 4 125.570 117.247 8.323 1
1 66 . 18 1 1 A 5 5 THR H H 5 8.880 8.426 0.454 1
1 67 . 18 1 1 A 5 5 THR HA H 5 4.490 4.676 -0.186 1
1 72 . 18 1 1 A 5 5 THR C C 5 175.297 175.753 -0.456 1
1 73 . 18 1 1 A 5 5 THR CA C 5 60.140 60.429 -0.289 1
1 74 . 18 1 1 A 5 5 THR CB C 5 70.922 70.619 0.303 1
1 76 . 18 1 1 A 5 5 THR N N 5 114.601 115.577 -0.976 1
1 77 . 18 1 1 A 6 6 GLU H H 6 9.000 9.105 -0.105 1
1 78 . 18 1 1 A 6 6 GLU HA H 6 4.142 4.074 0.068 1
1 83 . 18 1 1 A 6 6 GLU C C 6 179.326 178.353 0.973 1
1 84 . 18 1 1 A 6 6 GLU CA C 6 59.675 60.084 -0.409 1
1 85 . 18 1 1 A 6 6 GLU CB C 6 29.203 29.213 -0.010 1
1 87 . 18 1 1 A 6 6 GLU N N 6 121.577 127.395 -5.818 1
1 88 . 18 1 1 A 7 7 GLU H H 7 8.658 8.292 0.366 1
1 89 . 18 1 1 A 7 7 GLU HA H 7 4.026 3.984 0.042 1
1 94 . 18 1 1 A 7 7 GLU C C 7 179.616 179.719 -0.103 1
1 95 . 18 1 1 A 7 7 GLU CA C 7 59.683 59.433 0.250 1
1 96 . 18 1 1 A 7 7 GLU CB C 7 28.972 29.284 -0.312 1
1 98 . 18 1 1 A 7 7 GLU N N 7 118.231 120.298 -2.067 1
1 99 . 18 1 1 A 8 8 GLU H H 8 7.930 8.228 -0.298 1
1 100 . 18 1 1 A 8 8 GLU HA H 8 3.955 4.079 -0.124 1
1 105 . 18 1 1 A 8 8 GLU C C 8 178.395 178.703 -0.308 1
1 106 . 18 1 1 A 8 8 GLU CA C 8 59.672 59.124 0.548 1
1 107 . 18 1 1 A 8 8 GLU CB C 8 31.318 29.520 1.798 1
1 109 . 18 1 1 A 8 8 GLU N N 8 121.169 120.161 1.008 1
1 110 . 18 1 1 A 9 9 ASP H H 9 8.507 7.878 0.629 1
1 111 . 18 1 1 A 9 9 ASP HA H 9 4.677 4.147 0.530 1
1 114 . 18 1 1 A 9 9 ASP C C 9 179.329 177.723 1.606 1
1 115 . 18 1 1 A 9 9 ASP CA C 9 57.562 56.913 0.649 1
1 116 . 18 1 1 A 9 9 ASP CB C 9 40.217 41.400 -1.183 1
1 117 . 18 1 1 A 9 9 ASP N N 9 121.164 119.962 1.202 1
1 118 . 18 1 1 A 10 10 LEU H H 10 8.042 7.606 0.436 1
1 119 . 18 1 1 A 10 10 LEU HA H 10 4.143 4.076 0.067 1
1 129 . 18 1 1 A 10 10 LEU C C 10 179.329 178.941 0.388 1
1 130 . 18 1 1 A 10 10 LEU CA C 10 57.796 57.385 0.411 1
1 131 . 18 1 1 A 10 10 LEU CB C 10 41.392 41.201 0.191 1
1 135 . 18 1 1 A 10 10 LEU N N 10 120.628 119.406 1.222 1
1 136 . 18 1 1 A 11 11 LYS H H 11 8.040 8.425 -0.385 1
1 137 . 18 1 1 A 11 11 LYS HA H 11 4.049 4.016 0.033 1
1 146 . 18 1 1 A 11 11 LYS C C 11 178.345 179.189 -0.844 1
1 147 . 18 1 1 A 11 11 LYS CA C 11 59.199 60.254 -1.055 1
1 148 . 18 1 1 A 11 11 LYS CB C 11 32.488 32.300 0.188 1
1 152 . 18 1 1 A 11 11 LYS N N 11 121.016 118.767 2.249 1
1 153 . 18 1 1 A 12 12 LEU H H 12 8.865 8.231 0.634 1
1 154 . 18 1 1 A 12 12 LEU HA H 12 4.258 3.922 0.336 1
1 164 . 18 1 1 A 12 12 LEU C C 12 178.298 179.079 -0.781 1
1 165 . 18 1 1 A 12 12 LEU CA C 12 58.500 57.928 0.572 1
1 166 . 18 1 1 A 12 12 LEU CB C 12 41.389 41.570 -0.181 1
1 169 . 18 1 1 A 12 12 LEU N N 12 120.138 120.265 -0.127 1
1 170 . 18 1 1 A 13 13 GLN H H 13 8.400 7.754 0.646 1
1 171 . 18 1 1 A 13 13 GLN HA H 13 4.097 4.126 -0.029 1
1 178 . 18 1 1 A 13 13 GLN C C 13 178.254 177.905 0.349 1
1 179 . 18 1 1 A 13 13 GLN CA C 13 59.693 59.436 0.257 1
1 180 . 18 1 1 A 13 13 GLN CB C 13 28.733 28.349 0.384 1
1 182 . 18 1 1 A 13 13 GLN N N 13 117.136 118.456 -1.320 1
1 184 . 18 1 1 A 14 14 GLN H H 14 8.175 7.335 0.840 1
1 185 . 18 1 1 A 14 14 GLN HA H 14 3.980 4.200 -0.220 1
1 192 . 18 1 1 A 14 14 GLN C C 14 179.518 178.590 0.928 1
1 193 . 18 1 1 A 14 14 GLN CA C 14 58.745 58.156 0.589 1
1 194 . 18 1 1 A 14 14 GLN CB C 14 28.034 28.911 -0.877 1
1 196 . 18 1 1 A 14 14 GLN N N 14 117.947 118.316 -0.369 1
1 198 . 18 1 1 A 15 15 LEU H H 15 8.721 8.526 0.195 1
1 199 . 18 1 1 A 15 15 LEU HA H 15 4.143 3.903 0.240 1
1 209 . 18 1 1 A 15 15 LEU C C 15 178.956 179.120 -0.164 1
1 210 . 18 1 1 A 15 15 LEU CA C 15 57.562 58.030 -0.468 1
1 211 . 18 1 1 A 15 15 LEU CB C 15 42.801 42.361 0.440 1
1 215 . 18 1 1 A 15 15 LEU N N 15 120.641 120.475 0.166 1
1 216 . 18 1 1 A 16 16 VAL H H 16 8.603 8.335 0.268 1
1 217 . 18 1 1 A 16 16 VAL HA H 16 3.230 3.309 -0.079 1
1 225 . 18 1 1 A 16 16 VAL C C 16 179.988 177.977 2.011 1
1 226 . 18 1 1 A 16 16 VAL CA C 16 65.733 66.687 -0.954 1
1 227 . 18 1 1 A 16 16 VAL CB C 16 30.609 31.362 -0.753 1
1 230 . 18 1 1 A 16 16 VAL N N 16 120.873 117.357 3.516 1
1 231 . 18 1 1 A 17 17 MET H H 17 8.058 7.740 0.318 1
1 232 . 18 1 1 A 17 17 MET HA H 17 4.050 4.206 -0.156 1
1 237 . 18 1 1 A 17 17 MET C C 17 177.501 178.337 -0.836 1
1 238 . 18 1 1 A 17 17 MET CA C 17 58.270 58.196 0.074 1
1 239 . 18 1 1 A 17 17 MET CB C 17 31.784 32.267 -0.483 1
1 241 . 18 1 1 A 17 17 MET N N 17 119.240 120.433 -1.193 1
1 242 . 18 1 1 A 18 18 ARG H H 18 7.406 8.109 -0.703 1
1 243 . 18 1 1 A 18 18 ARG HA H 18 3.957 3.892 0.065 1
1 250 . 18 1 1 A 18 18 ARG C C 18 177.691 177.010 0.681 1
1 251 . 18 1 1 A 18 18 ARG CA C 18 58.301 58.465 -0.164 1
1 252 . 18 1 1 A 18 18 ARG CB C 18 30.842 29.549 1.293 1
1 255 . 18 1 1 A 18 18 ARG N N 18 117.487 120.543 -3.056 1
1 256 . 18 1 1 A 19 19 TYR H H 19 8.571 7.179 1.392 1
1 257 . 18 1 1 A 19 19 TYR HA H 19 4.490 4.506 -0.016 1
1 264 . 18 1 1 A 19 19 TYR C C 19 176.706 176.095 0.611 1
1 265 . 18 1 1 A 19 19 TYR CA C 19 58.739 57.753 0.986 1
1 266 . 18 1 1 A 19 19 TYR CB C 19 39.044 38.798 0.246 1
1 271 . 18 1 1 A 19 19 TYR N N 19 115.284 115.255 0.029 1
1 272 . 18 1 1 A 20 20 GLY H H 20 8.148 9.456 -1.308 1
1 273 . 18 1 1 A 20 20 GLY HA2 H 20 3.609 3.914 -0.305 1
1 274 . 18 1 1 A 20 20 GLY HA3 H 20 4.137 3.927 0.210 1
1 275 . 18 1 1 A 20 20 GLY C C 20 171.784 173.624 -1.840 1
1 276 . 18 1 1 A 20 20 GLY CA C 20 43.972 46.268 -2.296 1
1 277 . 18 1 1 A 20 20 GLY N N 20 110.830 107.503 3.327 1
1 278 . 18 1 1 A 21 21 ALA H H 21 7.886 7.262 0.624 1
1 279 . 18 1 1 A 21 21 ALA HA H 21 3.400 3.996 -0.596 1
1 283 . 18 1 1 A 21 21 ALA C C 21 176.002 176.947 -0.945 1
1 284 . 18 1 1 A 21 21 ALA CA C 21 49.825 50.979 -1.154 1
1 285 . 18 1 1 A 21 21 ALA CB C 21 17.960 18.472 -0.512 1
1 286 . 18 1 1 A 21 21 ALA N N 21 119.337 122.544 -3.207 1
1 287 . 18 1 1 A 22 22 LYS H H 22 7.424 7.759 -0.335 1
1 288 . 18 1 1 A 22 22 LYS HA H 22 4.258 4.636 -0.378 1
1 297 . 18 1 1 A 22 22 LYS C C 22 175.769 176.069 -0.300 1
1 298 . 18 1 1 A 22 22 LYS CA C 22 55.921 56.356 -0.435 1
1 299 . 18 1 1 A 22 22 LYS CB C 22 33.371 34.484 -1.113 1
1 303 . 18 1 1 A 22 22 LYS N N 22 115.793 114.764 1.029 1
1 304 . 18 1 1 A 23 23 ASP H H 23 7.724 7.497 0.227 1
1 305 . 18 1 1 A 23 23 ASP HA H 23 4.700 4.954 -0.254 1
1 308 . 18 1 1 A 23 23 ASP C C 23 176.142 176.239 -0.097 1
1 309 . 18 1 1 A 23 23 ASP CA C 23 51.704 52.995 -1.291 1
1 310 . 18 1 1 A 23 23 ASP CB C 23 39.514 40.794 -1.280 1
1 311 . 18 1 1 A 23 23 ASP N N 23 119.398 118.864 0.534 1
1 312 . 18 1 1 A 24 24 TRP H H 24 8.035 7.802 0.233 1
1 313 . 18 1 1 A 24 24 TRP HA H 24 4.258 4.228 0.030 1
1 322 . 18 1 1 A 24 24 TRP C C 24 178.252 178.902 -0.650 1
1 323 . 18 1 1 A 24 24 TRP CA C 24 58.736 59.810 -1.074 1
1 324 . 18 1 1 A 24 24 TRP CB C 24 28.970 29.263 -0.293 1
1 330 . 18 1 1 A 24 24 TRP N N 24 123.130 120.335 2.795 1
1 332 . 18 1 1 A 25 25 ILE H H 25 8.092 7.720 0.372 1
1 333 . 18 1 1 A 25 25 ILE HA H 25 3.724 3.755 -0.031 1
1 343 . 18 1 1 A 25 25 ILE C C 25 177.806 177.661 0.145 1
1 344 . 18 1 1 A 25 25 ILE CA C 25 65.060 64.665 0.395 1
1 345 . 18 1 1 A 25 25 ILE CB C 25 36.234 37.385 -1.151 1
1 349 . 18 1 1 A 25 25 ILE N N 25 121.518 116.881 4.637 1
1 350 . 18 1 1 A 26 26 ARG H H 26 7.503 7.621 -0.118 1
1 351 . 18 1 1 A 26 26 ARG HA H 26 3.864 3.948 -0.084 1
1 358 . 18 1 1 A 26 26 ARG C C 26 178.303 178.660 -0.357 1
1 359 . 18 1 1 A 26 26 ARG CA C 26 58.267 58.845 -0.578 1
1 360 . 18 1 1 A 26 26 ARG CB C 26 29.680 29.647 0.033 1
1 363 . 18 1 1 A 26 26 ARG N N 26 122.119 120.767 1.352 1
1 364 . 18 1 1 A 27 27 ILE H H 27 7.340 7.976 -0.636 1
1 365 . 18 1 1 A 27 27 ILE HA H 27 3.450 3.691 -0.241 1
1 375 . 18 1 1 A 27 27 ILE C C 27 177.689 178.567 -0.878 1
1 376 . 18 1 1 A 27 27 ILE CA C 27 63.893 65.157 -1.264 1
1 377 . 18 1 1 A 27 27 ILE CB C 27 36.474 37.112 -0.638 1
1 381 . 18 1 1 A 27 27 ILE N N 27 115.446 119.919 -4.473 1
1 382 . 18 1 1 A 28 28 SER H H 28 8.203 8.382 -0.179 1
1 383 . 18 1 1 A 28 28 SER HA H 28 4.144 4.332 -0.188 1
1 386 . 18 1 1 A 28 28 SER C C 28 177.220 177.306 -0.086 1
1 387 . 18 1 1 A 28 28 SER CA C 28 61.085 61.428 -0.343 1
1 388 . 18 1 1 A 28 28 SER CB C 28 63.421 63.104 0.317 1
1 389 . 18 1 1 A 28 28 SER N N 28 113.324 117.202 -3.878 1
1 390 . 18 1 1 A 29 29 GLN H H 29 8.177 7.400 0.777 1
1 391 . 18 1 1 A 29 29 GLN HA H 29 4.003 4.071 -0.068 1
1 398 . 18 1 1 A 29 29 GLN C C 29 178.910 178.727 0.183 1
1 399 . 18 1 1 A 29 29 GLN CA C 29 58.503 58.879 -0.376 1
1 400 . 18 1 1 A 29 29 GLN CB C 29 27.796 28.338 -0.542 1
1 402 . 18 1 1 A 29 29 GLN N N 29 120.561 121.669 -1.108 1
1 404 . 18 1 1 A 30 30 LEU H H 30 7.494 7.486 0.008 1
1 405 . 18 1 1 A 30 30 LEU HA H 30 4.258 4.259 -0.001 1
1 415 . 18 1 1 A 30 30 LEU C C 30 178.956 177.419 1.537 1
1 416 . 18 1 1 A 30 30 LEU CA C 30 55.675 56.717 -1.042 1
1 417 . 18 1 1 A 30 30 LEU CB C 30 42.559 43.189 -0.630 1
1 421 . 18 1 1 A 30 30 LEU N N 30 118.106 119.425 -1.319 1
1 422 . 18 1 1 A 31 31 MET H H 31 8.399 7.640 0.759 1
1 423 . 18 1 1 A 31 31 MET HA H 31 4.329 4.932 -0.603 1
1 428 . 18 1 1 A 31 31 MET C C 31 179.515 176.505 3.010 1
1 429 . 18 1 1 A 31 31 MET CA C 31 55.921 54.480 1.441 1
1 430 . 18 1 1 A 31 31 MET CB C 31 31.310 32.093 -0.783 1
1 432 . 18 1 1 A 31 31 MET N N 31 120.008 115.168 4.840 1
1 433 . 18 1 1 A 32 32 ILE H H 32 8.177 8.086 0.091 1
1 434 . 18 1 1 A 32 32 ILE HA H 32 3.423 4.129 -0.706 1
1 444 . 18 1 1 A 32 32 ILE C C 32 179.473 178.287 1.186 1
1 445 . 18 1 1 A 32 32 ILE CA C 32 67.639 63.478 4.161 1
1 446 . 18 1 1 A 32 32 ILE CB C 32 35.767 37.523 -1.756 1
1 450 . 18 1 1 A 32 32 ILE N N 32 114.338 121.784 -7.446 1
1 451 . 18 1 1 A 33 33 THR H H 33 8.957 7.732 1.225 1
1 452 . 18 1 1 A 33 33 THR HA H 33 4.143 4.185 -0.042 1
1 457 . 18 1 1 A 33 33 THR C C 33 174.361 174.535 -0.174 1
1 458 . 18 1 1 A 33 33 THR CA C 33 62.251 64.531 -2.280 1
1 459 . 18 1 1 A 33 33 THR CB C 33 68.581 68.895 -0.314 1
1 461 . 18 1 1 A 33 33 THR N N 33 110.164 113.990 -3.826 1
1 462 . 18 1 1 A 34 34 ARG H H 34 6.509 7.389 -0.880 1
1 463 . 18 1 1 A 34 34 ARG HA H 34 4.862 4.793 0.069 1
1 470 . 18 1 1 A 34 34 ARG C C 34 174.922 174.427 0.495 1
1 471 . 18 1 1 A 34 34 ARG CA C 34 51.939 55.320 -3.381 1
1 472 . 18 1 1 A 34 34 ARG CB C 34 36.061 33.974 2.087 1
1 475 . 18 1 1 A 34 34 ARG N N 34 116.058 120.900 -4.842 1
1 476 . 18 1 1 A 35 35 ASN H H 35 8.733 8.868 -0.135 1
1 477 . 18 1 1 A 35 35 ASN HA H 35 4.810 5.005 -0.195 1
1 482 . 18 1 1 A 35 35 ASN C C 35 173.986 175.302 -1.316 1
1 483 . 18 1 1 A 35 35 ASN CA C 35 52.107 51.811 0.296 1
1 484 . 18 1 1 A 35 35 ASN CB C 35 36.636 38.096 -1.460 1
1 485 . 18 1 1 A 35 35 ASN N N 35 122.840 120.721 2.119 1
1 487 . 18 1 1 A 36 36 PRO HA H 36 4.197 4.617 -0.420 1
1 494 . 18 1 1 A 36 36 PRO C C 36 178.019 178.837 -0.818 1
1 495 . 18 1 1 A 36 36 PRO CA C 36 67.412 64.932 2.480 1
1 496 . 18 1 1 A 36 36 PRO CB C 36 32.018 32.132 -0.114 1
1 499 . 18 1 1 A 37 37 ARG H H 37 7.804 8.552 -0.748 1
1 500 . 18 1 1 A 37 37 ARG HA H 37 3.749 3.906 -0.157 1
1 507 . 18 1 1 A 37 37 ARG C C 37 178.300 178.939 -0.639 1
1 508 . 18 1 1 A 37 37 ARG CA C 37 59.202 58.865 0.337 1
1 509 . 18 1 1 A 37 37 ARG CB C 37 29.435 29.440 -0.005 1
1 512 . 18 1 1 A 37 37 ARG N N 37 117.759 118.696 -0.937 1
1 513 . 18 1 1 A 38 38 GLN H H 38 8.682 7.993 0.689 1
1 514 . 18 1 1 A 38 38 GLN HA H 38 4.043 4.102 -0.059 1
1 521 . 18 1 1 A 38 38 GLN C C 38 180.078 178.275 1.803 1
1 522 . 18 1 1 A 38 38 GLN CA C 38 58.506 58.920 -0.414 1
1 523 . 18 1 1 A 38 38 GLN CB C 38 29.431 28.437 0.994 1
1 525 . 18 1 1 A 38 38 GLN N N 38 117.504 118.332 -0.828 1
1 527 . 18 1 1 A 39 39 CYS H H 39 8.095 8.066 0.029 1
1 528 . 18 1 1 A 39 39 CYS HA H 39 4.059 4.477 -0.418 1
1 531 . 18 1 1 A 39 39 CYS C C 39 173.893 177.220 -3.327 1
1 532 . 18 1 1 A 39 39 CYS CA C 39 64.592 62.160 2.432 1
1 533 . 18 1 1 A 39 39 CYS CB C 39 27.328 26.795 0.533 1
1 534 . 18 1 1 A 39 39 CYS N N 39 116.291 118.775 -2.484 1
1 535 . 18 1 1 A 40 40 ARG H H 40 7.589 7.738 -0.149 1
1 536 . 18 1 1 A 40 40 ARG HA H 40 1.821 2.349 -0.528 1
1 543 . 18 1 1 A 40 40 ARG C C 40 178.204 178.511 -0.307 1
1 544 . 18 1 1 A 40 40 ARG CA C 40 58.264 58.686 -0.422 1
1 545 . 18 1 1 A 40 40 ARG CB C 40 29.440 29.000 0.440 1
1 548 . 18 1 1 A 40 40 ARG N N 40 121.272 122.615 -1.343 1
1 549 . 18 1 1 A 41 41 GLU H H 41 8.352 8.036 0.316 1
1 550 . 18 1 1 A 41 41 GLU HA H 41 3.817 3.948 -0.131 1
1 555 . 18 1 1 A 41 41 GLU C C 41 178.718 179.460 -0.742 1
1 556 . 18 1 1 A 41 41 GLU CA C 41 58.971 59.340 -0.369 1
1 557 . 18 1 1 A 41 41 GLU CB C 41 28.972 29.336 -0.364 1
1 559 . 18 1 1 A 41 41 GLU N N 41 117.034 117.457 -0.423 1
1 560 . 18 1 1 A 42 42 ARG H H 42 7.755 7.790 -0.035 1
1 561 . 18 1 1 A 42 42 ARG HA H 42 3.931 4.241 -0.310 1
1 568 . 18 1 1 A 42 42 ARG C C 42 179.333 178.661 0.672 1
1 569 . 18 1 1 A 42 42 ARG CA C 42 57.261 59.203 -1.942 1
1 570 . 18 1 1 A 42 42 ARG CB C 42 29.610 30.215 -0.605 1
1 573 . 18 1 1 A 42 42 ARG N N 42 119.603 119.346 0.257 1
1 574 . 18 1 1 A 43 43 TRP H H 43 8.199 8.157 0.042 1
1 575 . 18 1 1 A 43 43 TRP HA H 43 4.292 4.383 -0.091 1
1 579 . 18 1 1 A 43 43 TRP C C 43 176.705 178.308 -1.603 1
1 580 . 18 1 1 A 43 43 TRP CA C 43 57.006 61.327 -4.321 1
1 581 . 18 1 1 A 43 43 TRP CB C 43 29.620 29.686 -0.066 1
1 582 . 18 1 1 A 43 43 TRP N N 43 119.355 122.207 -2.852 1
1 584 . 18 1 1 A 44 44 ASN H H 44 8.478 8.328 0.150 1
1 585 . 18 1 1 A 44 44 ASN HA H 44 4.177 4.528 -0.351 1
1 590 . 18 1 1 A 44 44 ASN C C 44 176.986 177.161 -0.175 1
1 591 . 18 1 1 A 44 44 ASN CA C 44 55.457 55.812 -0.355 1
1 592 . 18 1 1 A 44 44 ASN CB C 44 38.347 38.510 -0.163 1
1 593 . 18 1 1 A 44 44 ASN N N 44 113.530 118.693 -5.163 1
1 595 . 18 1 1 A 45 45 ASN H H 45 8.060 7.986 0.074 1
1 596 . 18 1 1 A 45 45 ASN HA H 45 4.630 4.682 -0.052 1
1 601 . 18 1 1 A 45 45 ASN C C 45 175.347 174.977 0.370 1
1 602 . 18 1 1 A 45 45 ASN CA C 45 53.350 53.702 -0.352 1
1 603 . 18 1 1 A 45 45 ASN CB C 45 39.047 39.265 -0.218 1
1 604 . 18 1 1 A 45 45 ASN N N 45 112.540 114.036 -1.496 1
1 606 . 18 1 1 A 46 46 TYR H H 46 7.443 7.884 -0.441 1
1 607 . 18 1 1 A 46 46 TYR HA H 46 4.447 4.866 -0.419 1
1 614 . 18 1 1 A 46 46 TYR C C 46 175.439 175.018 0.421 1
1 615 . 18 1 1 A 46 46 TYR CA C 46 60.074 59.246 0.828 1
1 616 . 18 1 1 A 46 46 TYR CB C 46 40.383 40.559 -0.176 1
1 621 . 18 1 1 A 46 46 TYR N N 46 117.403 118.821 -1.418 1
1 622 . 18 1 1 A 47 47 ILE HA H 47 3.786 4.586 -0.800 1
1 632 . 18 1 1 A 47 47 ILE C C 47 175.440 173.688 1.752 1
1 633 . 18 1 1 A 47 47 ILE CA C 47 62.240 59.219 3.021 1
1 634 . 18 1 1 A 47 47 ILE CB C 47 38.670 40.908 -2.238 1
1 638 . 18 1 1 A 48 48 ASN H H 48 7.922 8.676 -0.754 1
1 639 . 18 1 1 A 48 48 ASN HA H 48 3.795 4.287 -0.492 1
1 642 . 18 1 1 A 48 48 ASN C C 48 174.640 174.596 0.044 1
1 643 . 18 1 1 A 48 48 ASN N N 48 119.990 120.223 -0.233 1
1 645 . 18 1 1 A 49 49 PRO HA H 49 4.166 4.420 -0.254 1
1 652 . 18 1 1 A 49 49 PRO C C 49 177.408 176.687 0.721 1
1 653 . 18 1 1 A 49 49 PRO CA C 49 64.124 65.123 -0.999 1
1 654 . 18 1 1 A 49 49 PRO CB C 49 31.313 31.601 -0.288 1
1 657 . 18 1 1 A 50 50 ALA H H 50 7.595 7.796 -0.201 1
1 658 . 18 1 1 A 50 50 ALA HA H 50 4.128 4.526 -0.398 1
1 662 . 18 1 1 A 50 50 ALA C C 50 178.251 177.229 1.022 1
1 663 . 18 1 1 A 50 50 ALA CA C 50 52.642 51.857 0.785 1
1 664 . 18 1 1 A 50 50 ALA CB C 50 18.422 19.691 -1.269 1
1 665 . 18 1 1 A 50 50 ALA N N 50 120.036 118.589 1.447 1
1 666 . 18 1 1 A 51 51 LEU H H 51 7.586 8.068 -0.482 1
1 667 . 18 1 1 A 51 51 LEU HA H 51 4.119 4.123 -0.004 1
1 677 . 18 1 1 A 51 51 LEU C C 51 177.686 178.319 -0.633 1
1 678 . 18 1 1 A 51 51 LEU CA C 51 55.219 56.210 -0.991 1
1 679 . 18 1 1 A 51 51 LEU CB C 51 41.883 41.232 0.651 1
1 683 . 18 1 1 A 51 51 LEU N N 51 118.197 118.443 -0.246 1
1 684 . 18 1 1 A 52 52 ARG H H 52 8.013 7.934 0.079 1
1 685 . 18 1 1 A 52 52 ARG HA H 52 4.334 4.133 0.201 1
1 692 . 18 1 1 A 52 52 ARG C C 52 176.658 176.130 0.528 1
1 693 . 18 1 1 A 52 52 ARG CA C 52 55.923 58.608 -2.685 1
1 694 . 18 1 1 A 52 52 ARG CB C 52 31.086 30.413 0.673 1
1 697 . 18 1 1 A 52 52 ARG N N 52 119.899 119.572 0.327 1
1 698 . 18 1 1 A 53 53 THR H H 53 8.187 7.559 0.628 1
1 699 . 18 1 1 A 53 53 THR HA H 53 4.345 4.533 -0.188 1
1 704 . 18 1 1 A 53 53 THR C C 53 173.892 172.966 0.926 1
1 705 . 18 1 1 A 53 53 THR CA C 53 60.611 60.715 -0.104 1
1 706 . 18 1 1 A 53 53 THR CB C 53 69.514 69.061 0.453 1
1 708 . 18 1 1 A 53 53 THR N N 53 113.907 113.416 0.491 1
1 709 . 18 1 1 A 54 54 ASP H H 54 8.430 8.347 0.083 1
1 710 . 18 1 1 A 54 54 ASP HA H 54 4.810 5.198 -0.388 1
1 713 . 18 1 1 A 54 54 ASP C C 54 174.082 173.190 0.892 1
1 714 . 18 1 1 A 54 54 ASP CA C 54 52.578 51.733 0.845 1
1 715 . 18 1 1 A 54 54 ASP CB C 54 39.685 41.889 -2.204 1
1 716 . 18 1 1 A 54 54 ASP N N 54 123.174 125.881 -2.707 1
1 717 . 18 1 1 A 55 55 PRO HA H 55 4.561 4.420 0.141 1
1 724 . 18 1 1 A 55 55 PRO C C 55 177.127 176.725 0.402 1
1 725 . 18 1 1 A 55 55 PRO CA C 55 62.958 62.623 0.335 1
1 726 . 18 1 1 A 55 55 PRO CB C 55 32.013 32.154 -0.141 1
1 729 . 18 1 1 A 56 56 TRP H H 56 8.721 7.603 1.118 1
1 730 . 18 1 1 A 56 56 TRP HA H 56 4.351 4.966 -0.615 1
1 739 . 18 1 1 A 56 56 TRP C C 56 177.127 175.366 1.761 1
1 740 . 18 1 1 A 56 56 TRP CA C 56 57.796 56.232 1.564 1
1 741 . 18 1 1 A 56 56 TRP CB C 56 28.732 31.390 -2.658 1
1 747 . 18 1 1 A 56 56 TRP N N 56 124.713 120.375 4.338 1
1 749 . 18 1 1 A 57 57 SER H H 57 9.085 9.118 -0.033 1
1 750 . 18 1 1 A 57 57 SER HA H 57 4.957 4.915 0.042 1
1 753 . 18 1 1 A 57 57 SER C C 57 173.562 174.380 -0.818 1
1 754 . 18 1 1 A 57 57 SER CA C 57 55.852 56.325 -0.473 1
1 755 . 18 1 1 A 57 57 SER CB C 57 63.824 66.115 -2.291 1
1 756 . 18 1 1 A 57 57 SER N N 57 122.041 114.984 7.057 1
1 757 . 18 1 1 A 58 58 PRO HA H 58 4.444 4.327 0.117 1
1 764 . 18 1 1 A 58 58 PRO C C 58 179.777 178.736 1.041 1
1 765 . 18 1 1 A 58 58 PRO CA C 58 65.071 65.178 -0.107 1
1 766 . 18 1 1 A 58 58 PRO CB C 58 31.546 31.943 -0.397 1
1 769 . 18 1 1 A 59 59 GLU H H 59 8.788 8.610 0.178 1
1 770 . 18 1 1 A 59 59 GLU HA H 59 4.088 4.102 -0.014 1
1 775 . 18 1 1 A 59 59 GLU C C 59 179.656 178.971 0.685 1
1 776 . 18 1 1 A 59 59 GLU CA C 59 60.373 59.873 0.500 1
1 777 . 18 1 1 A 59 59 GLU CB C 59 28.505 29.177 -0.672 1
1 779 . 18 1 1 A 59 59 GLU N N 59 117.546 117.211 0.335 1
1 780 . 18 1 1 A 60 60 GLU H H 60 7.977 8.177 -0.200 1
1 781 . 18 1 1 A 60 60 GLU HA H 60 4.015 4.020 -0.005 1
1 786 . 18 1 1 A 60 60 GLU C C 60 178.440 178.713 -0.273 1
1 787 . 18 1 1 A 60 60 GLU CA C 60 59.913 59.022 0.891 1
1 788 . 18 1 1 A 60 60 GLU CB C 60 31.541 29.201 2.340 1
1 790 . 18 1 1 A 60 60 GLU N N 60 122.264 119.844 2.420 1
1 791 . 18 1 1 A 61 61 ASP H H 61 8.267 8.274 -0.007 1
1 792 . 18 1 1 A 61 61 ASP HA H 61 4.654 4.478 0.176 1
1 795 . 18 1 1 A 61 61 ASP C C 61 179.469 178.727 0.742 1
1 796 . 18 1 1 A 61 61 ASP CA C 61 57.562 57.783 -0.221 1
1 797 . 18 1 1 A 61 61 ASP CB C 61 39.987 42.022 -2.035 1
1 798 . 18 1 1 A 61 61 ASP N N 61 120.543 120.073 0.470 1
1 799 . 18 1 1 A 62 62 MET H H 62 8.139 8.297 -0.158 1
1 800 . 18 1 1 A 62 62 MET HA H 62 4.284 4.224 0.060 1
1 805 . 18 1 1 A 62 62 MET C C 62 178.811 178.842 -0.031 1
1 806 . 18 1 1 A 62 62 MET CA C 62 58.505 58.916 -0.411 1
1 807 . 18 1 1 A 62 62 MET CB C 62 32.251 32.918 -0.667 1
1 809 . 18 1 1 A 62 62 MET N N 62 119.343 117.974 1.369 1
1 810 . 18 1 1 A 63 63 LEU H H 63 7.959 7.744 0.215 1
1 811 . 18 1 1 A 63 63 LEU HA H 63 4.212 4.050 0.162 1
1 821 . 18 1 1 A 63 63 LEU C C 63 177.642 179.030 -1.388 1
1 822 . 18 1 1 A 63 63 LEU CA C 63 57.562 57.197 0.365 1
1 823 . 18 1 1 A 63 63 LEU CB C 63 42.096 41.654 0.442 1
1 827 . 18 1 1 A 63 63 LEU N N 63 122.676 120.230 2.446 1
1 828 . 18 1 1 A 64 64 LEU H H 64 8.784 8.385 0.399 1
1 829 . 18 1 1 A 64 64 LEU HA H 64 4.119 4.077 0.042 1
1 839 . 18 1 1 A 64 64 LEU C C 64 177.515 178.382 -0.867 1
1 840 . 18 1 1 A 64 64 LEU CA C 64 58.738 57.368 1.370 1
1 841 . 18 1 1 A 64 64 LEU CB C 64 41.395 42.228 -0.833 1
1 845 . 18 1 1 A 64 64 LEU N N 64 120.877 119.380 1.497 1
1 846 . 18 1 1 A 65 65 ASP H H 65 8.085 8.910 -0.825 1
1 847 . 18 1 1 A 65 65 ASP HA H 65 4.630 4.411 0.219 1
1 850 . 18 1 1 A 65 65 ASP C C 65 179.391 178.510 0.881 1
1 851 . 18 1 1 A 65 65 ASP CA C 65 57.566 57.550 0.016 1
1 852 . 18 1 1 A 65 65 ASP CB C 65 41.626 40.634 0.992 1
1 853 . 18 1 1 A 65 65 ASP N N 65 118.583 117.938 0.645 1
1 854 . 18 1 1 A 66 66 GLN H H 66 8.336 7.960 0.376 1
1 855 . 18 1 1 A 66 66 GLN HA H 66 4.050 4.043 0.007 1
1 862 . 18 1 1 A 66 66 GLN C C 66 179.565 178.368 1.197 1
1 863 . 18 1 1 A 66 66 GLN CA C 66 58.739 58.937 -0.198 1
1 864 . 18 1 1 A 66 66 GLN CB C 66 28.502 28.562 -0.060 1
1 866 . 18 1 1 A 66 66 GLN N N 66 118.725 119.929 -1.204 1
1 868 . 18 1 1 A 67 67 LYS H H 67 9.126 7.476 1.650 1
1 869 . 18 1 1 A 67 67 LYS HA H 67 4.142 4.152 -0.010 1
1 878 . 18 1 1 A 67 67 LYS C C 67 178.671 178.711 -0.040 1
1 879 . 18 1 1 A 67 67 LYS CA C 67 56.156 59.161 -3.005 1
1 880 . 18 1 1 A 67 67 LYS CB C 67 31.550 32.409 -0.859 1
1 884 . 18 1 1 A 67 67 LYS N N 67 117.220 119.089 -1.869 1
1 885 . 18 1 1 A 68 68 TYR H H 68 9.361 8.625 0.736 1
1 886 . 18 1 1 A 68 68 TYR HA H 68 3.819 4.026 -0.207 1
1 893 . 18 1 1 A 68 68 TYR C C 68 179.235 177.665 1.570 1
1 894 . 18 1 1 A 68 68 TYR CA C 68 61.547 61.961 -0.414 1
1 895 . 18 1 1 A 68 68 TYR CB C 68 37.881 38.750 -0.869 1
1 900 . 18 1 1 A 68 68 TYR N N 68 123.884 120.642 3.242 1
1 901 . 18 1 1 A 69 69 ALA H H 69 7.810 8.016 -0.206 1
1 902 . 18 1 1 A 69 69 ALA HA H 69 3.980 4.048 -0.068 1
1 906 . 18 1 1 A 69 69 ALA C C 69 178.673 179.225 -0.552 1
1 907 . 18 1 1 A 69 69 ALA CA C 69 54.755 55.194 -0.439 1
1 908 . 18 1 1 A 69 69 ALA CB C 69 17.253 18.512 -1.259 1
1 909 . 18 1 1 A 69 69 ALA N N 69 121.733 121.699 0.034 1
1 910 . 18 1 1 A 70 70 GLU H H 70 7.091 8.251 -1.160 1
1 911 . 18 1 1 A 70 70 GLU HA H 70 3.848 4.134 -0.286 1
1 916 . 18 1 1 A 70 70 GLU C C 70 178.018 177.481 0.537 1
1 917 . 18 1 1 A 70 70 GLU CA C 70 58.566 58.086 0.480 1
1 918 . 18 1 1 A 70 70 GLU CB C 70 30.609 30.427 0.182 1
1 920 . 18 1 1 A 70 70 GLU N N 70 115.850 116.715 -0.865 1
1 921 . 18 1 1 A 71 71 TYR H H 71 8.270 8.237 0.033 1
1 922 . 18 1 1 A 71 71 TYR HA H 71 4.537 4.512 0.025 1
1 929 . 18 1 1 A 71 71 TYR C C 71 177.174 176.257 0.917 1
1 930 . 18 1 1 A 71 71 TYR CA C 71 57.796 58.039 -0.243 1
1 931 . 18 1 1 A 71 71 TYR CB C 71 40.219 38.990 1.229 1
1 936 . 18 1 1 A 71 71 TYR N N 71 114.509 115.219 -0.710 1
1 937 . 18 1 1 A 72 72 GLY H H 72 8.417 7.915 0.502 1
1 938 . 18 1 1 A 72 72 GLY HA2 H 72 3.720 2.969 0.751 1
1 939 . 18 1 1 A 72 72 GLY HA3 H 72 2.255 3.625 -1.370 1
1 940 . 18 1 1 A 72 72 GLY C C 72 172.111 174.429 -2.318 1
1 941 . 18 1 1 A 72 72 GLY CA C 72 43.439 44.055 -0.616 1
1 942 . 18 1 1 A 72 72 GLY N N 72 111.509 107.949 3.560 1
1 943 . 18 1 1 A 73 73 PRO HA H 73 2.587 2.716 -0.129 1
1 950 . 18 1 1 A 73 73 PRO C C 73 175.393 175.050 0.343 1
1 951 . 18 1 1 A 73 73 PRO CA C 73 62.018 62.842 -0.824 1
1 952 . 18 1 1 A 73 73 PRO CB C 73 28.033 30.836 -2.803 1
1 955 . 18 1 1 A 74 74 LYS H H 74 8.065 8.489 -0.424 1
1 956 . 18 1 1 A 74 74 LYS HA H 74 4.259 4.268 -0.009 1
1 965 . 18 1 1 A 74 74 LYS C C 74 177.220 176.304 0.916 1
1 966 . 18 1 1 A 74 74 LYS CA C 74 52.641 54.634 -1.993 1
1 967 . 18 1 1 A 74 74 LYS CB C 74 30.145 30.220 -0.075 1
1 971 . 18 1 1 A 74 74 LYS N N 74 125.996 118.296 7.700 1
1 972 . 18 1 1 A 75 75 TRP H H 75 6.735 7.015 -0.280 1
1 973 . 18 1 1 A 75 75 TRP HA H 75 4.305 4.333 -0.028 1
1 982 . 18 1 1 A 75 75 TRP C C 75 177.174 178.501 -1.327 1
1 983 . 18 1 1 A 75 75 TRP CA C 75 58.969 60.031 -1.062 1
1 984 . 18 1 1 A 75 75 TRP CB C 75 29.668 28.740 0.928 1
1 990 . 18 1 1 A 75 75 TRP N N 75 122.056 121.387 0.669 1
1 992 . 18 1 1 A 76 76 ASN H H 76 8.732 8.337 0.395 1
1 993 . 18 1 1 A 76 76 ASN HA H 76 4.606 4.480 0.126 1
1 998 . 18 1 1 A 76 76 ASN C C 76 177.830 177.000 0.830 1
1 999 . 18 1 1 A 76 76 ASN CA C 76 55.925 56.420 -0.495 1
1 1000 . 18 1 1 A 76 76 ASN CB C 76 37.876 38.610 -0.734 1
1 1001 . 18 1 1 A 76 76 ASN N N 76 114.266 119.865 -5.599 1
1 1003 . 18 1 1 A 77 77 LYS H H 77 7.401 8.133 -0.732 1
1 1004 . 18 1 1 A 77 77 LYS HA H 77 3.979 4.009 -0.030 1
1 1013 . 18 1 1 A 77 77 LYS C C 77 178.859 179.251 -0.392 1
1 1014 . 18 1 1 A 77 77 LYS CA C 77 57.800 58.595 -0.795 1
1 1015 . 18 1 1 A 77 77 LYS CB C 77 31.545 32.387 -0.842 1
1 1019 . 18 1 1 A 77 77 LYS N N 77 120.857 118.757 2.100 1
1 1020 . 18 1 1 A 78 78 ILE H H 78 7.754 7.716 0.038 1
1 1021 . 18 1 1 A 78 78 ILE HA H 78 3.679 3.761 -0.082 1
1 1031 . 18 1 1 A 78 78 ILE C C 78 178.202 178.109 0.093 1
1 1032 . 18 1 1 A 78 78 ILE CA C 78 65.997 65.155 0.842 1
1 1033 . 18 1 1 A 78 78 ILE CB C 78 38.343 38.028 0.315 1
1 1037 . 18 1 1 A 78 78 ILE N N 78 118.290 121.335 -3.045 1
1 1038 . 18 1 1 A 79 79 SER H H 79 8.386 8.623 -0.237 1
1 1039 . 18 1 1 A 79 79 SER HA H 79 4.049 4.156 -0.107 1
1 1042 . 18 1 1 A 79 79 SER C C 79 175.627 176.954 -1.327 1
1 1043 . 18 1 1 A 79 79 SER CA C 79 61.084 61.141 -0.057 1
1 1044 . 18 1 1 A 79 79 SER CB C 79 62.720 63.105 -0.385 1
1 1045 . 18 1 1 A 79 79 SER N N 79 114.363 115.615 -1.252 1
1 1046 . 18 1 1 A 80 80 LYS H H 80 7.017 8.084 -1.067 1
1 1047 . 18 1 1 A 80 80 LYS HA H 80 4.005 4.102 -0.097 1
1 1056 . 18 1 1 A 80 80 LYS C C 80 177.361 177.588 -0.227 1
1 1057 . 18 1 1 A 80 80 LYS CA C 80 57.098 58.497 -1.399 1
1 1058 . 18 1 1 A 80 80 LYS CB C 80 31.083 31.846 -0.763 1
1 1062 . 18 1 1 A 80 80 LYS N N 80 118.534 120.711 -2.177 1
1 1063 . 18 1 1 A 81 81 PHE H H 81 7.932 8.326 -0.394 1
1 1064 . 18 1 1 A 81 81 PHE HA H 81 4.467 4.474 -0.007 1
1 1071 . 18 1 1 A 81 81 PHE C C 81 174.969 176.838 -1.869 1
1 1072 . 18 1 1 A 81 81 PHE CA C 81 58.500 60.386 -1.886 1
1 1073 . 18 1 1 A 81 81 PHE CB C 81 39.516 38.240 1.276 1
1 1078 . 18 1 1 A 81 81 PHE N N 81 114.880 117.784 -2.904 1
1 1079 . 18 1 1 A 82 82 LEU H H 82 7.487 7.520 -0.033 1
1 1080 . 18 1 1 A 82 82 LEU HA H 82 4.666 4.391 0.275 1
1 1090 . 18 1 1 A 82 82 LEU C C 82 175.107 177.617 -2.510 1
1 1091 . 18 1 1 A 82 82 LEU CA C 82 52.875 56.236 -3.361 1
1 1092 . 18 1 1 A 82 82 LEU CB C 82 42.802 42.369 0.433 1
1 1096 . 18 1 1 A 82 82 LEU N N 82 122.945 118.091 4.854 1
1 1097 . 18 1 1 A 83 83 LYS H H 83 8.256 8.615 -0.359 1
1 1098 . 18 1 1 A 83 83 LYS HA H 83 4.120 4.071 0.049 1
1 1107 . 18 1 1 A 83 83 LYS C C 83 176.236 176.889 -0.653 1
1 1108 . 18 1 1 A 83 83 LYS CA C 83 56.630 57.775 -1.145 1
1 1109 . 18 1 1 A 83 83 LYS CB C 83 31.786 32.096 -0.310 1
1 1113 . 18 1 1 A 83 83 LYS N N 83 118.856 119.110 -0.254 1
1 1114 . 18 1 1 A 84 84 ASN H H 84 8.684 8.150 0.534 1
1 1115 . 18 1 1 A 84 84 ASN HA H 84 4.304 4.833 -0.529 1
1 1120 . 18 1 1 A 84 84 ASN C C 84 173.846 175.505 -1.659 1
1 1121 . 18 1 1 A 84 84 ASN CA C 84 53.816 54.128 -0.312 1
1 1122 . 18 1 1 A 84 84 ASN CB C 84 37.176 40.105 -2.929 1
1 1123 . 18 1 1 A 84 84 ASN N N 84 116.099 116.204 -0.105 1
1 1125 . 18 1 1 A 85 85 ARG H H 85 7.665 7.814 -0.149 1
1 1126 . 18 1 1 A 85 85 ARG HA H 85 4.675 4.785 -0.110 1
1 1132 . 18 1 1 A 85 85 ARG C C 85 175.529 175.232 0.297 1
1 1133 . 18 1 1 A 85 85 ARG CA C 85 53.112 54.610 -1.498 1
1 1134 . 18 1 1 A 85 85 ARG CB C 85 31.783 32.003 -0.220 1
1 1137 . 18 1 1 A 85 85 ARG N N 85 116.162 118.132 -1.970 1
1 1139 . 18 1 1 A 86 86 SER H H 86 8.864 8.649 0.215 1
1 1140 . 18 1 1 A 86 86 SER HA H 86 4.488 4.883 -0.395 1
1 1143 . 18 1 1 A 86 86 SER C C 86 174.407 174.777 -0.370 1
1 1144 . 18 1 1 A 86 86 SER CA C 86 57.093 57.697 -0.604 1
1 1145 . 18 1 1 A 86 86 SER CB C 86 64.840 66.480 -1.640 1
1 1146 . 18 1 1 A 86 86 SER N N 86 119.204 116.516 2.688 1
1 1147 . 18 1 1 A 87 87 ASP H H 87 8.784 8.819 -0.035 1
1 1148 . 18 1 1 A 87 87 ASP HA H 87 4.095 4.419 -0.324 1
1 1151 . 18 1 1 A 87 87 ASP C C 87 178.111 178.580 -0.469 1
1 1152 . 18 1 1 A 87 87 ASP CA C 87 57.801 56.951 0.850 1
1 1153 . 18 1 1 A 87 87 ASP CB C 87 39.056 39.934 -0.878 1
1 1154 . 18 1 1 A 87 87 ASP N N 87 121.415 123.527 -2.112 1
1 1155 . 18 1 1 A 88 88 ASN H H 88 8.491 8.447 0.044 1
1 1156 . 18 1 1 A 88 88 ASN HA H 88 4.166 4.372 -0.206 1
1 1161 . 18 1 1 A 88 88 ASN C C 88 176.842 177.793 -0.951 1
1 1162 . 18 1 1 A 88 88 ASN CA C 88 55.458 55.445 0.013 1
1 1163 . 18 1 1 A 88 88 ASN CB C 88 38.103 36.971 1.132 1
1 1164 . 18 1 1 A 88 88 ASN N N 88 115.811 118.476 -2.665 1
1 1166 . 18 1 1 A 89 89 ASN H H 89 7.959 7.951 0.008 1
1 1167 . 18 1 1 A 89 89 ASN HA H 89 4.422 4.470 -0.048 1
1 1172 . 18 1 1 A 89 89 ASN C C 89 178.159 177.427 0.732 1
1 1173 . 18 1 1 A 89 89 ASN CA C 89 56.632 55.520 1.112 1
1 1174 . 18 1 1 A 89 89 ASN CB C 89 39.749 38.473 1.276 1
1 1175 . 18 1 1 A 89 89 ASN N N 89 120.679 117.462 3.217 1
1 1177 . 18 1 1 A 90 90 ILE H H 90 8.373 7.918 0.455 1
1 1178 . 18 1 1 A 90 90 ILE HA H 90 3.840 4.274 -0.434 1
1 1188 . 18 1 1 A 90 90 ILE C C 90 176.191 177.567 -1.376 1
1 1189 . 18 1 1 A 90 90 ILE CA C 90 65.298 64.339 0.959 1
1 1190 . 18 1 1 A 90 90 ILE CB C 90 38.109 37.926 0.183 1
1 1194 . 18 1 1 A 90 90 ILE N N 90 120.840 118.481 2.359 1
1 1195 . 18 1 1 A 91 91 ARG H H 91 7.749 8.287 -0.538 1
1 1196 . 18 1 1 A 91 91 ARG HA H 91 2.077 3.238 -1.161 1
1 1203 . 18 1 1 A 91 91 ARG C C 91 178.063 177.928 0.135 1
1 1204 . 18 1 1 A 91 91 ARG CA C 91 58.500 59.038 -0.538 1
1 1205 . 18 1 1 A 91 91 ARG CB C 91 28.969 29.728 -0.759 1
1 1208 . 18 1 1 A 91 91 ARG N N 91 120.230 120.571 -0.341 1
1 1209 . 18 1 1 A 92 92 ASN H H 92 7.959 7.725 0.234 1
1 1210 . 18 1 1 A 92 92 ASN HA H 92 4.167 4.431 -0.264 1
1 1215 . 18 1 1 A 92 92 ASN C C 92 177.689 177.782 -0.093 1
1 1216 . 18 1 1 A 92 92 ASN CA C 92 55.640 56.053 -0.413 1
1 1217 . 18 1 1 A 92 92 ASN CB C 92 37.644 38.714 -1.070 1
1 1218 . 18 1 1 A 92 92 ASN N N 92 115.405 117.905 -2.500 1
1 1220 . 18 1 1 A 93 93 ARG H H 93 7.872 7.922 -0.050 1
1 1221 . 18 1 1 A 93 93 ARG HA H 93 3.610 3.870 -0.260 1
1 1229 . 18 1 1 A 93 93 ARG C C 93 177.737 178.557 -0.820 1
1 1230 . 18 1 1 A 93 93 ARG CA C 93 57.263 58.854 -1.591 1
1 1231 . 18 1 1 A 93 93 ARG CB C 93 29.141 29.270 -0.129 1
1 1234 . 18 1 1 A 93 93 ARG N N 93 122.360 119.798 2.562 1
1 1236 . 18 1 1 A 94 94 TRP H H 94 8.411 8.767 -0.356 1
1 1237 . 18 1 1 A 94 94 TRP HA H 94 3.818 4.445 -0.627 1
1 1241 . 18 1 1 A 94 94 TRP N N 94 119.510 122.141 -2.631 1
1 1243 . 18 1 1 A 95 95 MET HA H 95 3.725 3.981 -0.256 1
1 1246 . 18 1 1 A 95 95 MET C C 95 178.580 178.538 0.042 1
1 1247 . 18 1 1 A 95 95 MET CA C 95 57.807 58.315 -0.508 1
1 1248 . 18 1 1 A 95 95 MET CB C 95 32.023 32.340 -0.317 1
1 1249 . 18 1 1 A 96 96 MET H H 96 7.580 7.348 0.232 1
1 1250 . 18 1 1 A 96 96 MET HA H 96 3.980 4.231 -0.251 1
1 1255 . 18 1 1 A 96 96 MET C C 96 178.344 178.564 -0.220 1
1 1256 . 18 1 1 A 96 96 MET CA C 96 58.033 57.837 0.196 1
1 1257 . 18 1 1 A 96 96 MET CB C 96 31.783 32.364 -0.581 1
1 1259 . 18 1 1 A 96 96 MET N N 96 118.340 118.940 -0.600 1
1 1260 . 18 1 1 A 97 97 ILE H H 97 7.884 8.343 -0.459 1
1 1261 . 18 1 1 A 97 97 ILE HA H 97 3.583 3.834 -0.251 1
1 1271 . 18 1 1 A 97 97 ILE C C 97 178.154 177.589 0.565 1
1 1272 . 18 1 1 A 97 97 ILE CA C 97 63.656 63.497 0.159 1
1 1273 . 18 1 1 A 97 97 ILE CB C 97 37.637 37.596 0.041 1
1 1277 . 18 1 1 A 97 97 ILE N N 97 120.158 119.905 0.253 1
1 1278 . 18 1 1 A 98 98 ALA H H 98 8.064 8.366 -0.302 1
1 1279 . 18 1 1 A 98 98 ALA HA H 98 3.515 3.906 -0.391 1
1 1283 . 18 1 1 A 98 98 ALA C C 98 180.224 179.571 0.653 1
1 1284 . 18 1 1 A 98 98 ALA CA C 98 54.283 54.370 -0.087 1
1 1285 . 18 1 1 A 98 98 ALA CB C 98 17.251 17.724 -0.473 1
1 1286 . 18 1 1 A 98 98 ALA N N 98 123.446 123.262 0.184 1
1 1287 . 18 1 1 A 99 99 ARG H H 99 7.623 7.813 -0.190 1
1 1288 . 18 1 1 A 99 99 ARG HA H 99 3.934 4.001 -0.067 1
1 1295 . 18 1 1 A 99 99 ARG C C 99 177.923 178.676 -0.753 1
1 1296 . 18 1 1 A 99 99 ARG CA C 99 57.968 58.594 -0.626 1
1 1297 . 18 1 1 A 99 99 ARG CB C 99 29.606 29.725 -0.119 1
1 1300 . 18 1 1 A 99 99 ARG N N 99 117.538 118.966 -1.428 1
1 1301 . 18 1 1 A 100 100 HIS H H 100 7.797 7.886 -0.089 1
1 1302 . 18 1 1 A 100 100 HIS HA H 100 4.409 4.237 0.172 1
1 1307 . 18 1 1 A 100 100 HIS C C 100 176.575 176.914 -0.339 1
1 1308 . 18 1 1 A 100 100 HIS CA C 100 57.109 59.053 -1.944 1
1 1309 . 18 1 1 A 100 100 HIS CB C 100 29.204 29.856 -0.652 1
1 1312 . 18 1 1 A 100 100 HIS N N 100 118.311 119.345 -1.034 1
1 1313 . 18 1 1 A 101 101 ARG H H 101 8.057 7.296 0.761 1
1 1314 . 18 1 1 A 101 101 ARG HA H 101 4.062 3.940 0.122 1
1 1321 . 18 1 1 A 101 101 ARG C C 101 177.220 177.930 -0.710 1
1 1322 . 18 1 1 A 101 101 ARG CA C 101 57.556 58.282 -0.726 1
1 1323 . 18 1 1 A 101 101 ARG CB C 101 30.157 30.092 0.065 1
1 1326 . 18 1 1 A 101 101 ARG N N 101 119.935 118.109 1.826 1
1 1327 . 18 1 1 A 102 102 ALA H H 102 7.917 7.645 0.272 1
1 1328 . 18 1 1 A 102 102 ALA HA H 102 4.167 4.244 -0.077 1
1 1332 . 18 1 1 A 102 102 ALA C C 102 178.532 179.668 -1.136 1
1 1333 . 18 1 1 A 102 102 ALA CA C 102 53.103 53.230 -0.127 1
1 1334 . 18 1 1 A 102 102 ALA CB C 102 18.447 18.942 -0.495 1
1 1335 . 18 1 1 A 102 102 ALA N N 102 122.678 121.876 0.802 1
1 1336 . 18 1 1 A 103 103 LYS H H 103 7.884 7.876 0.008 1
1 1337 . 18 1 1 A 103 103 LYS HA H 103 4.121 4.150 -0.029 1
1 1346 . 18 1 1 A 103 103 LYS C C 103 177.080 178.484 -1.404 1
1 1347 . 18 1 1 A 103 103 LYS CA C 103 56.856 58.641 -1.785 1
1 1348 . 18 1 1 A 103 103 LYS CB C 103 32.480 32.466 0.014 1
1 1352 . 18 1 1 A 103 103 LYS N N 103 118.773 118.110 0.663 1
1 1353 . 18 1 1 A 104 104 HIS H H 104 8.118 8.264 -0.146 1
1 1354 . 18 1 1 A 104 104 HIS HA H 104 4.560 4.746 -0.186 1
1 1359 . 18 1 1 A 104 104 HIS C C 104 175.204 176.100 -0.896 1
1 1360 . 18 1 1 A 104 104 HIS CA C 104 55.932 55.281 0.651 1
1 1361 . 18 1 1 A 104 104 HIS CB C 104 29.448 31.792 -2.344 1
1 1364 . 18 1 1 A 104 104 HIS N N 104 118.685 113.205 5.480 1
1 1365 . 18 1 1 A 105 105 GLN H H 105 8.233 8.041 0.192 1
1 1366 . 18 1 1 A 105 105 GLN HA H 105 4.218 3.773 0.445 1
1 1373 . 18 1 1 A 105 105 GLN C C 105 176.172 176.829 -0.657 1
1 1374 . 18 1 1 A 105 105 GLN CA C 105 56.130 58.702 -2.572 1
1 1375 . 18 1 1 A 105 105 GLN CB C 105 28.976 28.437 0.539 1
1 1377 . 18 1 1 A 105 105 GLN N N 105 121.104 119.800 1.304 1
1 1379 . 18 1 1 A 106 106 LYS H H 106 8.346 7.983 0.363 1
1 1380 . 18 1 1 A 106 106 LYS HA H 106 4.239 4.431 -0.192 1
1 1389 . 18 1 1 A 106 106 LYS C C 106 177.022 176.840 0.182 1
1 1390 . 18 1 1 A 106 106 LYS CA C 106 56.647 56.581 0.066 1
1 1391 . 18 1 1 A 106 106 LYS CB C 106 32.481 35.048 -2.567 1
1 1395 . 18 1 1 A 106 106 LYS N N 106 122.274 117.220 5.054 1
1 16 . 19 1 1 A 2 2 VAL H H 2 8.319 8.175 0.144 1
1 17 . 19 1 1 A 2 2 VAL HA H 2 4.096 4.052 0.044 1
1 25 . 19 1 1 A 2 2 VAL C C 2 176.167 177.468 -1.301 1
1 26 . 19 1 1 A 2 2 VAL CA C 2 67.781 61.892 5.889 1
1 27 . 19 1 1 A 2 2 VAL CB C 2 32.484 31.626 0.858 1
1 30 . 19 1 1 A 2 2 VAL N N 2 122.596 123.048 -0.452 1
1 31 . 19 1 1 A 3 3 LYS H H 3 8.470 8.465 0.005 1
1 32 . 19 1 1 A 3 3 LYS HA H 3 4.327 3.856 0.471 1
1 41 . 19 1 1 A 3 3 LYS C C 3 176.713 176.923 -0.210 1
1 42 . 19 1 1 A 3 3 LYS CA C 3 56.391 59.805 -3.414 1
1 43 . 19 1 1 A 3 3 LYS CB C 3 32.723 32.051 0.672 1
1 47 . 19 1 1 A 3 3 LYS N N 3 127.359 124.135 3.224 1
1 48 . 19 1 1 A 4 4 PHE H H 4 8.471 6.875 1.596 1
1 49 . 19 1 1 A 4 4 PHE HA H 4 4.491 4.626 -0.135 1
1 57 . 19 1 1 A 4 4 PHE C C 4 177.923 175.400 2.523 1
1 58 . 19 1 1 A 4 4 PHE CA C 4 57.566 55.896 1.670 1
1 59 . 19 1 1 A 4 4 PHE CB C 4 39.751 40.333 -0.582 1
1 65 . 19 1 1 A 4 4 PHE N N 4 125.570 116.765 8.805 1
1 66 . 19 1 1 A 5 5 THR H H 5 8.880 8.455 0.425 1
1 67 . 19 1 1 A 5 5 THR HA H 5 4.490 4.699 -0.209 1
1 72 . 19 1 1 A 5 5 THR C C 5 175.297 175.843 -0.546 1
1 73 . 19 1 1 A 5 5 THR CA C 5 60.140 60.805 -0.665 1
1 74 . 19 1 1 A 5 5 THR CB C 5 70.922 70.188 0.734 1
1 76 . 19 1 1 A 5 5 THR N N 5 114.601 114.975 -0.374 1
1 77 . 19 1 1 A 6 6 GLU H H 6 9.000 9.157 -0.157 1
1 78 . 19 1 1 A 6 6 GLU HA H 6 4.142 4.153 -0.011 1
1 83 . 19 1 1 A 6 6 GLU C C 6 179.326 178.952 0.374 1
1 84 . 19 1 1 A 6 6 GLU CA C 6 59.675 60.092 -0.417 1
1 85 . 19 1 1 A 6 6 GLU CB C 6 29.203 29.296 -0.093 1
1 87 . 19 1 1 A 6 6 GLU N N 6 121.577 127.493 -5.916 1
1 88 . 19 1 1 A 7 7 GLU H H 7 8.658 8.434 0.224 1
1 89 . 19 1 1 A 7 7 GLU HA H 7 4.026 4.024 0.002 1
1 94 . 19 1 1 A 7 7 GLU C C 7 179.616 178.831 0.785 1
1 95 . 19 1 1 A 7 7 GLU CA C 7 59.683 59.632 0.051 1
1 96 . 19 1 1 A 7 7 GLU CB C 7 28.972 29.120 -0.148 1
1 98 . 19 1 1 A 7 7 GLU N N 7 118.231 119.578 -1.347 1
1 99 . 19 1 1 A 8 8 GLU H H 8 7.930 8.260 -0.330 1
1 100 . 19 1 1 A 8 8 GLU HA H 8 3.955 4.004 -0.049 1
1 105 . 19 1 1 A 8 8 GLU C C 8 178.395 178.020 0.375 1
1 106 . 19 1 1 A 8 8 GLU CA C 8 59.672 59.461 0.211 1
1 107 . 19 1 1 A 8 8 GLU CB C 8 31.318 29.052 2.266 1
1 109 . 19 1 1 A 8 8 GLU N N 8 121.169 119.531 1.638 1
1 110 . 19 1 1 A 9 9 ASP H H 9 8.507 7.983 0.524 1
1 111 . 19 1 1 A 9 9 ASP HA H 9 4.677 4.103 0.574 1
1 114 . 19 1 1 A 9 9 ASP C C 9 179.329 177.960 1.369 1
1 115 . 19 1 1 A 9 9 ASP CA C 9 57.562 56.959 0.603 1
1 116 . 19 1 1 A 9 9 ASP CB C 9 40.217 41.435 -1.218 1
1 117 . 19 1 1 A 9 9 ASP N N 9 121.164 119.921 1.243 1
1 118 . 19 1 1 A 10 10 LEU H H 10 8.042 7.625 0.417 1
1 119 . 19 1 1 A 10 10 LEU HA H 10 4.143 4.009 0.134 1
1 129 . 19 1 1 A 10 10 LEU C C 10 179.329 178.910 0.419 1
1 130 . 19 1 1 A 10 10 LEU CA C 10 57.796 57.315 0.481 1
1 131 . 19 1 1 A 10 10 LEU CB C 10 41.392 41.246 0.146 1
1 135 . 19 1 1 A 10 10 LEU N N 10 120.628 119.460 1.168 1
1 136 . 19 1 1 A 11 11 LYS H H 11 8.040 8.559 -0.519 1
1 137 . 19 1 1 A 11 11 LYS HA H 11 4.049 3.953 0.096 1
1 146 . 19 1 1 A 11 11 LYS C C 11 178.345 179.045 -0.700 1
1 147 . 19 1 1 A 11 11 LYS CA C 11 59.199 60.068 -0.869 1
1 148 . 19 1 1 A 11 11 LYS CB C 11 32.488 32.139 0.349 1
1 152 . 19 1 1 A 11 11 LYS N N 11 121.016 118.971 2.045 1
1 153 . 19 1 1 A 12 12 LEU H H 12 8.865 7.975 0.890 1
1 154 . 19 1 1 A 12 12 LEU HA H 12 4.258 3.944 0.314 1
1 164 . 19 1 1 A 12 12 LEU C C 12 178.298 178.961 -0.663 1
1 165 . 19 1 1 A 12 12 LEU CA C 12 58.500 57.976 0.524 1
1 166 . 19 1 1 A 12 12 LEU CB C 12 41.389 41.252 0.137 1
1 169 . 19 1 1 A 12 12 LEU N N 12 120.138 120.154 -0.016 1
1 170 . 19 1 1 A 13 13 GLN H H 13 8.400 7.703 0.697 1
1 171 . 19 1 1 A 13 13 GLN HA H 13 4.097 3.981 0.116 1
1 178 . 19 1 1 A 13 13 GLN C C 13 178.254 177.878 0.376 1
1 179 . 19 1 1 A 13 13 GLN CA C 13 59.693 59.230 0.463 1
1 180 . 19 1 1 A 13 13 GLN CB C 13 28.733 28.561 0.172 1
1 182 . 19 1 1 A 13 13 GLN N N 13 117.136 118.289 -1.153 1
1 184 . 19 1 1 A 14 14 GLN H H 14 8.175 7.443 0.732 1
1 185 . 19 1 1 A 14 14 GLN HA H 14 3.980 4.141 -0.161 1
1 192 . 19 1 1 A 14 14 GLN C C 14 179.518 178.669 0.849 1
1 193 . 19 1 1 A 14 14 GLN CA C 14 58.745 58.118 0.627 1
1 194 . 19 1 1 A 14 14 GLN CB C 14 28.034 28.974 -0.940 1
1 196 . 19 1 1 A 14 14 GLN N N 14 117.947 118.310 -0.363 1
1 198 . 19 1 1 A 15 15 LEU H H 15 8.721 8.510 0.211 1
1 199 . 19 1 1 A 15 15 LEU HA H 15 4.143 3.962 0.181 1
1 209 . 19 1 1 A 15 15 LEU C C 15 178.956 179.084 -0.128 1
1 210 . 19 1 1 A 15 15 LEU CA C 15 57.562 58.060 -0.498 1
1 211 . 19 1 1 A 15 15 LEU CB C 15 42.801 42.289 0.512 1
1 215 . 19 1 1 A 15 15 LEU N N 15 120.641 120.112 0.529 1
1 216 . 19 1 1 A 16 16 VAL H H 16 8.603 8.503 0.100 1
1 217 . 19 1 1 A 16 16 VAL HA H 16 3.230 3.349 -0.119 1
1 225 . 19 1 1 A 16 16 VAL C C 16 179.988 178.098 1.890 1
1 226 . 19 1 1 A 16 16 VAL CA C 16 65.733 66.842 -1.109 1
1 227 . 19 1 1 A 16 16 VAL CB C 16 30.609 31.531 -0.922 1
1 230 . 19 1 1 A 16 16 VAL N N 16 120.873 117.609 3.264 1
1 231 . 19 1 1 A 17 17 MET H H 17 8.058 8.135 -0.077 1
1 232 . 19 1 1 A 17 17 MET HA H 17 4.050 4.178 -0.128 1
1 237 . 19 1 1 A 17 17 MET C C 17 177.501 178.409 -0.908 1
1 238 . 19 1 1 A 17 17 MET CA C 17 58.270 58.163 0.107 1
1 239 . 19 1 1 A 17 17 MET CB C 17 31.784 32.280 -0.496 1
1 241 . 19 1 1 A 17 17 MET N N 17 119.240 120.280 -1.040 1
1 242 . 19 1 1 A 18 18 ARG H H 18 7.406 7.836 -0.430 1
1 243 . 19 1 1 A 18 18 ARG HA H 18 3.957 3.885 0.072 1
1 250 . 19 1 1 A 18 18 ARG C C 18 177.691 177.433 0.258 1
1 251 . 19 1 1 A 18 18 ARG CA C 18 58.301 58.039 0.262 1
1 252 . 19 1 1 A 18 18 ARG CB C 18 30.842 29.840 1.002 1
1 255 . 19 1 1 A 18 18 ARG N N 18 117.487 120.597 -3.110 1
1 256 . 19 1 1 A 19 19 TYR H H 19 8.571 7.838 0.733 1
1 257 . 19 1 1 A 19 19 TYR HA H 19 4.490 4.485 0.005 1
1 264 . 19 1 1 A 19 19 TYR C C 19 176.706 175.812 0.894 1
1 265 . 19 1 1 A 19 19 TYR CA C 19 58.739 57.721 1.018 1
1 266 . 19 1 1 A 19 19 TYR CB C 19 39.044 38.483 0.561 1
1 271 . 19 1 1 A 19 19 TYR N N 19 115.284 115.671 -0.387 1
1 272 . 19 1 1 A 20 20 GLY H H 20 8.148 9.496 -1.348 1
1 273 . 19 1 1 A 20 20 GLY HA2 H 20 3.609 3.860 -0.251 1
1 274 . 19 1 1 A 20 20 GLY HA3 H 20 4.137 3.896 0.241 1
1 275 . 19 1 1 A 20 20 GLY C C 20 171.784 173.701 -1.917 1
1 276 . 19 1 1 A 20 20 GLY CA C 20 43.972 46.486 -2.514 1
1 277 . 19 1 1 A 20 20 GLY N N 20 110.830 108.721 2.109 1
1 278 . 19 1 1 A 21 21 ALA H H 21 7.886 7.640 0.246 1
1 279 . 19 1 1 A 21 21 ALA HA H 21 3.400 3.746 -0.346 1
1 283 . 19 1 1 A 21 21 ALA C C 21 176.002 176.724 -0.722 1
1 284 . 19 1 1 A 21 21 ALA CA C 21 49.825 50.936 -1.111 1
1 285 . 19 1 1 A 21 21 ALA CB C 21 17.960 18.117 -0.157 1
1 286 . 19 1 1 A 21 21 ALA N N 21 119.337 121.941 -2.604 1
1 287 . 19 1 1 A 22 22 LYS H H 22 7.424 7.625 -0.201 1
1 288 . 19 1 1 A 22 22 LYS HA H 22 4.258 4.559 -0.301 1
1 297 . 19 1 1 A 22 22 LYS C C 22 175.769 176.178 -0.409 1
1 298 . 19 1 1 A 22 22 LYS CA C 22 55.921 56.502 -0.581 1
1 299 . 19 1 1 A 22 22 LYS CB C 22 33.371 34.961 -1.590 1
1 303 . 19 1 1 A 22 22 LYS N N 22 115.793 114.392 1.401 1
1 304 . 19 1 1 A 23 23 ASP H H 23 7.724 7.506 0.218 1
1 305 . 19 1 1 A 23 23 ASP HA H 23 4.700 4.940 -0.240 1
1 308 . 19 1 1 A 23 23 ASP C C 23 176.142 176.229 -0.087 1
1 309 . 19 1 1 A 23 23 ASP CA C 23 51.704 52.982 -1.278 1
1 310 . 19 1 1 A 23 23 ASP CB C 23 39.514 40.808 -1.294 1
1 311 . 19 1 1 A 23 23 ASP N N 23 119.398 118.334 1.064 1
1 312 . 19 1 1 A 24 24 TRP H H 24 8.035 7.642 0.393 1
1 313 . 19 1 1 A 24 24 TRP HA H 24 4.258 4.184 0.074 1
1 322 . 19 1 1 A 24 24 TRP C C 24 178.252 178.829 -0.577 1
1 323 . 19 1 1 A 24 24 TRP CA C 24 58.736 59.559 -0.823 1
1 324 . 19 1 1 A 24 24 TRP CB C 24 28.970 29.356 -0.386 1
1 330 . 19 1 1 A 24 24 TRP N N 24 123.130 120.315 2.815 1
1 332 . 19 1 1 A 25 25 ILE H H 25 8.092 7.673 0.419 1
1 333 . 19 1 1 A 25 25 ILE HA H 25 3.724 3.743 -0.019 1
1 343 . 19 1 1 A 25 25 ILE C C 25 177.806 177.590 0.216 1
1 344 . 19 1 1 A 25 25 ILE CA C 25 65.060 64.628 0.432 1
1 345 . 19 1 1 A 25 25 ILE CB C 25 36.234 37.459 -1.225 1
1 349 . 19 1 1 A 25 25 ILE N N 25 121.518 116.775 4.743 1
1 350 . 19 1 1 A 26 26 ARG H H 26 7.503 7.721 -0.218 1
1 351 . 19 1 1 A 26 26 ARG HA H 26 3.864 3.955 -0.091 1
1 358 . 19 1 1 A 26 26 ARG C C 26 178.303 178.623 -0.320 1
1 359 . 19 1 1 A 26 26 ARG CA C 26 58.267 58.721 -0.454 1
1 360 . 19 1 1 A 26 26 ARG CB C 26 29.680 29.793 -0.113 1
1 363 . 19 1 1 A 26 26 ARG N N 26 122.119 120.700 1.419 1
1 364 . 19 1 1 A 27 27 ILE H H 27 7.340 7.767 -0.427 1
1 365 . 19 1 1 A 27 27 ILE HA H 27 3.450 3.677 -0.227 1
1 375 . 19 1 1 A 27 27 ILE C C 27 177.689 178.500 -0.811 1
1 376 . 19 1 1 A 27 27 ILE CA C 27 63.893 65.084 -1.191 1
1 377 . 19 1 1 A 27 27 ILE CB C 27 36.474 37.235 -0.761 1
1 381 . 19 1 1 A 27 27 ILE N N 27 115.446 119.764 -4.318 1
1 382 . 19 1 1 A 28 28 SER H H 28 8.203 8.349 -0.146 1
1 383 . 19 1 1 A 28 28 SER HA H 28 4.144 4.334 -0.190 1
1 386 . 19 1 1 A 28 28 SER C C 28 177.220 176.137 1.083 1
1 387 . 19 1 1 A 28 28 SER CA C 28 61.085 61.393 -0.308 1
1 388 . 19 1 1 A 28 28 SER CB C 28 63.421 63.239 0.182 1
1 389 . 19 1 1 A 28 28 SER N N 28 113.324 117.022 -3.698 1
1 390 . 19 1 1 A 29 29 GLN H H 29 8.177 8.308 -0.131 1
1 391 . 19 1 1 A 29 29 GLN HA H 29 4.003 4.083 -0.080 1
1 398 . 19 1 1 A 29 29 GLN C C 29 178.910 177.842 1.068 1
1 399 . 19 1 1 A 29 29 GLN CA C 29 58.503 58.432 0.071 1
1 400 . 19 1 1 A 29 29 GLN CB C 29 27.796 27.274 0.522 1
1 402 . 19 1 1 A 29 29 GLN N N 29 120.561 119.286 1.275 1
1 404 . 19 1 1 A 30 30 LEU H H 30 7.494 7.461 0.033 1
1 405 . 19 1 1 A 30 30 LEU HA H 30 4.258 4.156 0.102 1
1 415 . 19 1 1 A 30 30 LEU C C 30 178.956 177.095 1.861 1
1 416 . 19 1 1 A 30 30 LEU CA C 30 55.675 57.124 -1.449 1
1 417 . 19 1 1 A 30 30 LEU CB C 30 42.559 42.292 0.267 1
1 421 . 19 1 1 A 30 30 LEU N N 30 118.106 120.559 -2.453 1
1 422 . 19 1 1 A 31 31 MET H H 31 8.399 7.183 1.216 1
1 423 . 19 1 1 A 31 31 MET HA H 31 4.329 4.884 -0.555 1
1 428 . 19 1 1 A 31 31 MET C C 31 179.515 176.087 3.428 1
1 429 . 19 1 1 A 31 31 MET CA C 31 55.921 54.062 1.859 1
1 430 . 19 1 1 A 31 31 MET CB C 31 31.310 32.150 -0.840 1
1 432 . 19 1 1 A 31 31 MET N N 31 120.008 116.017 3.991 1
1 433 . 19 1 1 A 32 32 ILE H H 32 8.177 8.150 0.027 1
1 434 . 19 1 1 A 32 32 ILE HA H 32 3.423 4.072 -0.649 1
1 444 . 19 1 1 A 32 32 ILE C C 32 179.473 177.619 1.854 1
1 445 . 19 1 1 A 32 32 ILE CA C 32 67.639 63.375 4.264 1
1 446 . 19 1 1 A 32 32 ILE CB C 32 35.767 37.633 -1.866 1
1 450 . 19 1 1 A 32 32 ILE N N 32 114.338 119.678 -5.340 1
1 451 . 19 1 1 A 33 33 THR H H 33 8.957 7.733 1.224 1
1 452 . 19 1 1 A 33 33 THR HA H 33 4.143 4.239 -0.096 1
1 457 . 19 1 1 A 33 33 THR C C 33 174.361 174.513 -0.152 1
1 458 . 19 1 1 A 33 33 THR CA C 33 62.251 64.412 -2.161 1
1 459 . 19 1 1 A 33 33 THR CB C 33 68.581 68.665 -0.084 1
1 461 . 19 1 1 A 33 33 THR N N 33 110.164 114.607 -4.443 1
1 462 . 19 1 1 A 34 34 ARG H H 34 6.509 7.576 -1.067 1
1 463 . 19 1 1 A 34 34 ARG HA H 34 4.862 4.866 -0.004 1
1 470 . 19 1 1 A 34 34 ARG C C 34 174.922 174.871 0.051 1
1 471 . 19 1 1 A 34 34 ARG CA C 34 51.939 54.733 -2.794 1
1 472 . 19 1 1 A 34 34 ARG CB C 34 36.061 33.428 2.633 1
1 475 . 19 1 1 A 34 34 ARG N N 34 116.058 117.388 -1.330 1
1 476 . 19 1 1 A 35 35 ASN H H 35 8.733 8.832 -0.099 1
1 477 . 19 1 1 A 35 35 ASN HA H 35 4.810 4.977 -0.167 1
1 482 . 19 1 1 A 35 35 ASN C C 35 173.986 175.307 -1.321 1
1 483 . 19 1 1 A 35 35 ASN CA C 35 52.107 51.742 0.365 1
1 484 . 19 1 1 A 35 35 ASN CB C 35 36.636 37.921 -1.285 1
1 485 . 19 1 1 A 35 35 ASN N N 35 122.840 119.395 3.445 1
1 487 . 19 1 1 A 36 36 PRO HA H 36 4.197 4.591 -0.394 1
1 494 . 19 1 1 A 36 36 PRO C C 36 178.019 177.931 0.088 1
1 495 . 19 1 1 A 36 36 PRO CA C 36 67.412 65.243 2.169 1
1 496 . 19 1 1 A 36 36 PRO CB C 36 32.018 32.060 -0.042 1
1 499 . 19 1 1 A 37 37 ARG H H 37 7.804 8.171 -0.367 1
1 500 . 19 1 1 A 37 37 ARG HA H 37 3.749 3.978 -0.229 1
1 507 . 19 1 1 A 37 37 ARG C C 37 178.300 178.674 -0.374 1
1 508 . 19 1 1 A 37 37 ARG CA C 37 59.202 59.042 0.160 1
1 509 . 19 1 1 A 37 37 ARG CB C 37 29.435 29.645 -0.210 1
1 512 . 19 1 1 A 37 37 ARG N N 37 117.759 118.196 -0.437 1
1 513 . 19 1 1 A 38 38 GLN H H 38 8.682 8.341 0.341 1
1 514 . 19 1 1 A 38 38 GLN HA H 38 4.043 4.073 -0.030 1
1 521 . 19 1 1 A 38 38 GLN C C 38 180.078 178.597 1.481 1
1 522 . 19 1 1 A 38 38 GLN CA C 38 58.506 59.023 -0.517 1
1 523 . 19 1 1 A 38 38 GLN CB C 38 29.431 28.384 1.047 1
1 525 . 19 1 1 A 38 38 GLN N N 38 117.504 117.898 -0.394 1
1 527 . 19 1 1 A 39 39 CYS H H 39 8.095 7.928 0.167 1
1 528 . 19 1 1 A 39 39 CYS HA H 39 4.059 4.449 -0.390 1
1 531 . 19 1 1 A 39 39 CYS C C 39 173.893 177.254 -3.361 1
1 532 . 19 1 1 A 39 39 CYS CA C 39 64.592 62.787 1.805 1
1 533 . 19 1 1 A 39 39 CYS CB C 39 27.328 27.005 0.323 1
1 534 . 19 1 1 A 39 39 CYS N N 39 116.291 118.671 -2.380 1
1 535 . 19 1 1 A 40 40 ARG H H 40 7.589 7.652 -0.063 1
1 536 . 19 1 1 A 40 40 ARG HA H 40 1.821 2.879 -1.058 1
1 543 . 19 1 1 A 40 40 ARG C C 40 178.204 178.764 -0.560 1
1 544 . 19 1 1 A 40 40 ARG CA C 40 58.264 58.965 -0.701 1
1 545 . 19 1 1 A 40 40 ARG CB C 40 29.440 29.257 0.183 1
1 548 . 19 1 1 A 40 40 ARG N N 40 121.272 122.383 -1.111 1
1 549 . 19 1 1 A 41 41 GLU H H 41 8.352 8.179 0.173 1
1 550 . 19 1 1 A 41 41 GLU HA H 41 3.817 3.993 -0.176 1
1 555 . 19 1 1 A 41 41 GLU C C 41 178.718 179.459 -0.741 1
1 556 . 19 1 1 A 41 41 GLU CA C 41 58.971 59.413 -0.442 1
1 557 . 19 1 1 A 41 41 GLU CB C 41 28.972 29.273 -0.301 1
1 559 . 19 1 1 A 41 41 GLU N N 41 117.034 117.501 -0.467 1
1 560 . 19 1 1 A 42 42 ARG H H 42 7.755 7.552 0.203 1
1 561 . 19 1 1 A 42 42 ARG HA H 42 3.931 4.270 -0.339 1
1 568 . 19 1 1 A 42 42 ARG C C 42 179.333 178.599 0.734 1
1 569 . 19 1 1 A 42 42 ARG CA C 42 57.261 58.559 -1.298 1
1 570 . 19 1 1 A 42 42 ARG CB C 42 29.610 30.249 -0.639 1
1 573 . 19 1 1 A 42 42 ARG N N 42 119.603 119.587 0.016 1
1 574 . 19 1 1 A 43 43 TRP H H 43 8.199 7.980 0.219 1
1 575 . 19 1 1 A 43 43 TRP HA H 43 4.292 4.362 -0.070 1
1 579 . 19 1 1 A 43 43 TRP C C 43 176.705 178.561 -1.856 1
1 580 . 19 1 1 A 43 43 TRP CA C 43 57.006 61.325 -4.319 1
1 581 . 19 1 1 A 43 43 TRP CB C 43 29.620 29.662 -0.042 1
1 582 . 19 1 1 A 43 43 TRP N N 43 119.355 122.172 -2.817 1
1 584 . 19 1 1 A 44 44 ASN H H 44 8.478 8.455 0.023 1
1 585 . 19 1 1 A 44 44 ASN HA H 44 4.177 4.226 -0.049 1
1 590 . 19 1 1 A 44 44 ASN C C 44 176.986 176.931 0.055 1
1 591 . 19 1 1 A 44 44 ASN CA C 44 55.457 55.997 -0.540 1
1 592 . 19 1 1 A 44 44 ASN CB C 44 38.347 37.401 0.946 1
1 593 . 19 1 1 A 44 44 ASN N N 44 113.530 117.084 -3.554 1
1 595 . 19 1 1 A 45 45 ASN H H 45 8.060 7.844 0.216 1
1 596 . 19 1 1 A 45 45 ASN HA H 45 4.630 4.717 -0.087 1
1 601 . 19 1 1 A 45 45 ASN C C 45 175.347 174.978 0.369 1
1 602 . 19 1 1 A 45 45 ASN CA C 45 53.350 53.668 -0.318 1
1 603 . 19 1 1 A 45 45 ASN CB C 45 39.047 39.314 -0.267 1
1 604 . 19 1 1 A 45 45 ASN N N 45 112.540 116.257 -3.717 1
1 606 . 19 1 1 A 46 46 TYR H H 46 7.443 8.052 -0.609 1
1 607 . 19 1 1 A 46 46 TYR HA H 46 4.447 5.127 -0.680 1
1 614 . 19 1 1 A 46 46 TYR C C 46 175.439 175.093 0.346 1
1 615 . 19 1 1 A 46 46 TYR CA C 46 60.074 59.189 0.885 1
1 616 . 19 1 1 A 46 46 TYR CB C 46 40.383 40.516 -0.133 1
1 621 . 19 1 1 A 46 46 TYR N N 46 117.403 118.854 -1.451 1
1 622 . 19 1 1 A 47 47 ILE HA H 47 3.786 4.756 -0.970 1
1 632 . 19 1 1 A 47 47 ILE C C 47 175.440 174.433 1.007 1
1 633 . 19 1 1 A 47 47 ILE CA C 47 62.240 59.370 2.870 1
1 634 . 19 1 1 A 47 47 ILE CB C 47 38.670 41.151 -2.481 1
1 638 . 19 1 1 A 48 48 ASN H H 48 7.922 8.762 -0.840 1
1 639 . 19 1 1 A 48 48 ASN HA H 48 3.795 4.876 -1.081 1
1 642 . 19 1 1 A 48 48 ASN C C 48 174.640 175.600 -0.960 1
1 643 . 19 1 1 A 48 48 ASN N N 48 119.990 120.105 -0.115 1
1 645 . 19 1 1 A 49 49 PRO HA H 49 4.166 4.477 -0.311 1
1 652 . 19 1 1 A 49 49 PRO C C 49 177.408 176.571 0.837 1
1 653 . 19 1 1 A 49 49 PRO CA C 49 64.124 63.469 0.655 1
1 654 . 19 1 1 A 49 49 PRO CB C 49 31.313 32.346 -1.033 1
1 657 . 19 1 1 A 50 50 ALA H H 50 7.595 7.973 -0.378 1
1 658 . 19 1 1 A 50 50 ALA HA H 50 4.128 4.000 0.128 1
1 662 . 19 1 1 A 50 50 ALA C C 50 178.251 177.589 0.662 1
1 663 . 19 1 1 A 50 50 ALA CA C 50 52.642 52.990 -0.348 1
1 664 . 19 1 1 A 50 50 ALA CB C 50 18.422 17.344 1.078 1
1 665 . 19 1 1 A 50 50 ALA N N 50 120.036 120.263 -0.227 1
1 666 . 19 1 1 A 51 51 LEU H H 51 7.586 8.030 -0.444 1
1 667 . 19 1 1 A 51 51 LEU HA H 51 4.119 4.621 -0.502 1
1 677 . 19 1 1 A 51 51 LEU C C 51 177.686 177.533 0.153 1
1 678 . 19 1 1 A 51 51 LEU CA C 51 55.219 54.286 0.933 1
1 679 . 19 1 1 A 51 51 LEU CB C 51 41.883 41.836 0.047 1
1 683 . 19 1 1 A 51 51 LEU N N 51 118.197 116.243 1.954 1
1 684 . 19 1 1 A 52 52 ARG H H 52 8.013 8.338 -0.325 1
1 685 . 19 1 1 A 52 52 ARG HA H 52 4.334 4.142 0.192 1
1 692 . 19 1 1 A 52 52 ARG C C 52 176.658 176.294 0.364 1
1 693 . 19 1 1 A 52 52 ARG CA C 52 55.923 57.929 -2.006 1
1 694 . 19 1 1 A 52 52 ARG CB C 52 31.086 29.479 1.607 1
1 697 . 19 1 1 A 52 52 ARG N N 52 119.899 121.044 -1.145 1
1 698 . 19 1 1 A 53 53 THR H H 53 8.187 7.579 0.608 1
1 699 . 19 1 1 A 53 53 THR HA H 53 4.345 4.588 -0.243 1
1 704 . 19 1 1 A 53 53 THR C C 53 173.892 172.376 1.516 1
1 705 . 19 1 1 A 53 53 THR CA C 53 60.611 61.175 -0.564 1
1 706 . 19 1 1 A 53 53 THR CB C 53 69.514 69.012 0.502 1
1 708 . 19 1 1 A 53 53 THR N N 53 113.907 113.593 0.314 1
1 709 . 19 1 1 A 54 54 ASP H H 54 8.430 8.527 -0.097 1
1 710 . 19 1 1 A 54 54 ASP HA H 54 4.810 5.209 -0.399 1
1 713 . 19 1 1 A 54 54 ASP C C 54 174.082 174.064 0.018 1
1 714 . 19 1 1 A 54 54 ASP CA C 54 52.578 51.323 1.255 1
1 715 . 19 1 1 A 54 54 ASP CB C 54 39.685 41.667 -1.982 1
1 716 . 19 1 1 A 54 54 ASP N N 54 123.174 126.877 -3.703 1
1 717 . 19 1 1 A 55 55 PRO HA H 55 4.561 4.706 -0.145 1
1 724 . 19 1 1 A 55 55 PRO C C 55 177.127 176.701 0.426 1
1 725 . 19 1 1 A 55 55 PRO CA C 55 62.958 62.324 0.634 1
1 726 . 19 1 1 A 55 55 PRO CB C 55 32.013 32.238 -0.225 1
1 729 . 19 1 1 A 56 56 TRP H H 56 8.721 7.659 1.062 1
1 730 . 19 1 1 A 56 56 TRP HA H 56 4.351 4.962 -0.611 1
1 739 . 19 1 1 A 56 56 TRP C C 56 177.127 175.404 1.723 1
1 740 . 19 1 1 A 56 56 TRP CA C 56 57.796 56.197 1.599 1
1 741 . 19 1 1 A 56 56 TRP CB C 56 28.732 31.370 -2.638 1
1 747 . 19 1 1 A 56 56 TRP N N 56 124.713 120.754 3.959 1
1 749 . 19 1 1 A 57 57 SER H H 57 9.085 9.072 0.013 1
1 750 . 19 1 1 A 57 57 SER HA H 57 4.957 4.897 0.060 1
1 753 . 19 1 1 A 57 57 SER C C 57 173.562 174.337 -0.775 1
1 754 . 19 1 1 A 57 57 SER CA C 57 55.852 56.346 -0.494 1
1 755 . 19 1 1 A 57 57 SER CB C 57 63.824 65.783 -1.959 1
1 756 . 19 1 1 A 57 57 SER N N 57 122.041 114.895 7.146 1
1 757 . 19 1 1 A 58 58 PRO HA H 58 4.444 4.298 0.146 1
1 764 . 19 1 1 A 58 58 PRO C C 58 179.777 178.511 1.266 1
1 765 . 19 1 1 A 58 58 PRO CA C 58 65.071 65.008 0.063 1
1 766 . 19 1 1 A 58 58 PRO CB C 58 31.546 31.907 -0.361 1
1 769 . 19 1 1 A 59 59 GLU H H 59 8.788 8.407 0.381 1
1 770 . 19 1 1 A 59 59 GLU HA H 59 4.088 4.101 -0.013 1
1 775 . 19 1 1 A 59 59 GLU C C 59 179.656 179.172 0.484 1
1 776 . 19 1 1 A 59 59 GLU CA C 59 60.373 60.098 0.275 1
1 777 . 19 1 1 A 59 59 GLU CB C 59 28.505 29.150 -0.645 1
1 779 . 19 1 1 A 59 59 GLU N N 59 117.546 118.117 -0.571 1
1 780 . 19 1 1 A 60 60 GLU H H 60 7.977 8.009 -0.032 1
1 781 . 19 1 1 A 60 60 GLU HA H 60 4.015 4.045 -0.030 1
1 786 . 19 1 1 A 60 60 GLU C C 60 178.440 178.364 0.076 1
1 787 . 19 1 1 A 60 60 GLU CA C 60 59.913 58.977 0.936 1
1 788 . 19 1 1 A 60 60 GLU CB C 60 31.541 29.119 2.422 1
1 790 . 19 1 1 A 60 60 GLU N N 60 122.264 119.555 2.709 1
1 791 . 19 1 1 A 61 61 ASP H H 61 8.267 8.192 0.075 1
1 792 . 19 1 1 A 61 61 ASP HA H 61 4.654 4.563 0.091 1
1 795 . 19 1 1 A 61 61 ASP C C 61 179.469 178.651 0.818 1
1 796 . 19 1 1 A 61 61 ASP CA C 61 57.562 57.690 -0.128 1
1 797 . 19 1 1 A 61 61 ASP CB C 61 39.987 41.587 -1.600 1
1 798 . 19 1 1 A 61 61 ASP N N 61 120.543 120.522 0.021 1
1 799 . 19 1 1 A 62 62 MET H H 62 8.139 8.662 -0.523 1
1 800 . 19 1 1 A 62 62 MET HA H 62 4.284 4.237 0.047 1
1 805 . 19 1 1 A 62 62 MET C C 62 178.811 179.034 -0.223 1
1 806 . 19 1 1 A 62 62 MET CA C 62 58.505 58.692 -0.187 1
1 807 . 19 1 1 A 62 62 MET CB C 62 32.251 32.481 -0.230 1
1 809 . 19 1 1 A 62 62 MET N N 62 119.343 118.097 1.246 1
1 810 . 19 1 1 A 63 63 LEU H H 63 7.959 7.536 0.423 1
1 811 . 19 1 1 A 63 63 LEU HA H 63 4.212 4.123 0.089 1
1 821 . 19 1 1 A 63 63 LEU C C 63 177.642 179.138 -1.496 1
1 822 . 19 1 1 A 63 63 LEU CA C 63 57.562 57.232 0.330 1
1 823 . 19 1 1 A 63 63 LEU CB C 63 42.096 41.595 0.501 1
1 827 . 19 1 1 A 63 63 LEU N N 63 122.676 120.405 2.271 1
1 828 . 19 1 1 A 64 64 LEU H H 64 8.784 8.418 0.366 1
1 829 . 19 1 1 A 64 64 LEU HA H 64 4.119 4.146 -0.027 1
1 839 . 19 1 1 A 64 64 LEU C C 64 177.515 178.111 -0.596 1
1 840 . 19 1 1 A 64 64 LEU CA C 64 58.738 57.559 1.179 1
1 841 . 19 1 1 A 64 64 LEU CB C 64 41.395 42.199 -0.804 1
1 845 . 19 1 1 A 64 64 LEU N N 64 120.877 120.102 0.775 1
1 846 . 19 1 1 A 65 65 ASP H H 65 8.085 9.003 -0.918 1
1 847 . 19 1 1 A 65 65 ASP HA H 65 4.630 4.537 0.093 1
1 850 . 19 1 1 A 65 65 ASP C C 65 179.391 178.738 0.653 1
1 851 . 19 1 1 A 65 65 ASP CA C 65 57.566 57.463 0.103 1
1 852 . 19 1 1 A 65 65 ASP CB C 65 41.626 41.910 -0.284 1
1 853 . 19 1 1 A 65 65 ASP N N 65 118.583 119.345 -0.762 1
1 854 . 19 1 1 A 66 66 GLN H H 66 8.336 7.995 0.341 1
1 855 . 19 1 1 A 66 66 GLN HA H 66 4.050 4.048 0.002 1
1 862 . 19 1 1 A 66 66 GLN C C 66 179.565 178.374 1.191 1
1 863 . 19 1 1 A 66 66 GLN CA C 66 58.739 59.138 -0.399 1
1 864 . 19 1 1 A 66 66 GLN CB C 66 28.502 28.819 -0.317 1
1 866 . 19 1 1 A 66 66 GLN N N 66 118.725 119.201 -0.476 1
1 868 . 19 1 1 A 67 67 LYS H H 67 9.126 7.541 1.585 1
1 869 . 19 1 1 A 67 67 LYS HA H 67 4.142 4.182 -0.040 1
1 878 . 19 1 1 A 67 67 LYS C C 67 178.671 178.776 -0.105 1
1 879 . 19 1 1 A 67 67 LYS CA C 67 56.156 58.931 -2.775 1
1 880 . 19 1 1 A 67 67 LYS CB C 67 31.550 32.686 -1.136 1
1 884 . 19 1 1 A 67 67 LYS N N 67 117.220 119.232 -2.012 1
1 885 . 19 1 1 A 68 68 TYR H H 68 9.361 8.886 0.475 1
1 886 . 19 1 1 A 68 68 TYR HA H 68 3.819 4.175 -0.356 1
1 893 . 19 1 1 A 68 68 TYR C C 68 179.235 177.893 1.342 1
1 894 . 19 1 1 A 68 68 TYR CA C 68 61.547 62.040 -0.493 1
1 895 . 19 1 1 A 68 68 TYR CB C 68 37.881 38.911 -1.030 1
1 900 . 19 1 1 A 68 68 TYR N N 68 123.884 120.790 3.094 1
1 901 . 19 1 1 A 69 69 ALA H H 69 7.810 8.030 -0.220 1
1 902 . 19 1 1 A 69 69 ALA HA H 69 3.980 4.043 -0.063 1
1 906 . 19 1 1 A 69 69 ALA C C 69 178.673 178.985 -0.312 1
1 907 . 19 1 1 A 69 69 ALA CA C 69 54.755 55.245 -0.490 1
1 908 . 19 1 1 A 69 69 ALA CB C 69 17.253 18.614 -1.361 1
1 909 . 19 1 1 A 69 69 ALA N N 69 121.733 121.582 0.151 1
1 910 . 19 1 1 A 70 70 GLU H H 70 7.091 8.195 -1.104 1
1 911 . 19 1 1 A 70 70 GLU HA H 70 3.848 4.141 -0.293 1
1 916 . 19 1 1 A 70 70 GLU C C 70 178.018 178.189 -0.171 1
1 917 . 19 1 1 A 70 70 GLU CA C 70 58.566 58.375 0.191 1
1 918 . 19 1 1 A 70 70 GLU CB C 70 30.609 30.518 0.091 1
1 920 . 19 1 1 A 70 70 GLU N N 70 115.850 117.098 -1.248 1
1 921 . 19 1 1 A 71 71 TYR H H 71 8.270 8.438 -0.168 1
1 922 . 19 1 1 A 71 71 TYR HA H 71 4.537 4.236 0.301 1
1 929 . 19 1 1 A 71 71 TYR C C 71 177.174 176.208 0.966 1
1 930 . 19 1 1 A 71 71 TYR CA C 71 57.796 60.589 -2.793 1
1 931 . 19 1 1 A 71 71 TYR CB C 71 40.219 38.770 1.449 1
1 936 . 19 1 1 A 71 71 TYR N N 71 114.509 118.266 -3.757 1
1 937 . 19 1 1 A 72 72 GLY H H 72 8.417 7.995 0.422 1
1 938 . 19 1 1 A 72 72 GLY HA2 H 72 3.720 2.951 0.769 1
1 939 . 19 1 1 A 72 72 GLY HA3 H 72 2.255 3.659 -1.404 1
1 940 . 19 1 1 A 72 72 GLY C C 72 172.111 174.264 -2.153 1
1 941 . 19 1 1 A 72 72 GLY CA C 72 43.439 43.772 -0.333 1
1 942 . 19 1 1 A 72 72 GLY N N 72 111.509 106.613 4.896 1
1 943 . 19 1 1 A 73 73 PRO HA H 73 2.587 2.756 -0.169 1
1 950 . 19 1 1 A 73 73 PRO C C 73 175.393 175.076 0.317 1
1 951 . 19 1 1 A 73 73 PRO CA C 73 62.018 62.867 -0.849 1
1 952 . 19 1 1 A 73 73 PRO CB C 73 28.033 30.962 -2.929 1
1 955 . 19 1 1 A 74 74 LYS H H 74 8.065 8.304 -0.239 1
1 956 . 19 1 1 A 74 74 LYS HA H 74 4.259 4.276 -0.017 1
1 965 . 19 1 1 A 74 74 LYS C C 74 177.220 176.447 0.773 1
1 966 . 19 1 1 A 74 74 LYS CA C 74 52.641 54.599 -1.958 1
1 967 . 19 1 1 A 74 74 LYS CB C 74 30.145 30.166 -0.021 1
1 971 . 19 1 1 A 74 74 LYS N N 74 125.996 118.303 7.693 1
1 972 . 19 1 1 A 75 75 TRP H H 75 6.735 6.897 -0.162 1
1 973 . 19 1 1 A 75 75 TRP HA H 75 4.305 4.363 -0.058 1
1 982 . 19 1 1 A 75 75 TRP C C 75 177.174 178.488 -1.314 1
1 983 . 19 1 1 A 75 75 TRP CA C 75 58.969 60.194 -1.225 1
1 984 . 19 1 1 A 75 75 TRP CB C 75 29.668 28.852 0.816 1
1 990 . 19 1 1 A 75 75 TRP N N 75 122.056 121.332 0.724 1
1 992 . 19 1 1 A 76 76 ASN H H 76 8.732 8.343 0.389 1
1 993 . 19 1 1 A 76 76 ASN HA H 76 4.606 4.482 0.124 1
1 998 . 19 1 1 A 76 76 ASN C C 76 177.830 177.043 0.787 1
1 999 . 19 1 1 A 76 76 ASN CA C 76 55.925 56.509 -0.584 1
1 1000 . 19 1 1 A 76 76 ASN CB C 76 37.876 38.625 -0.749 1
1 1001 . 19 1 1 A 76 76 ASN N N 76 114.266 120.001 -5.735 1
1 1003 . 19 1 1 A 77 77 LYS H H 77 7.401 8.146 -0.745 1
1 1004 . 19 1 1 A 77 77 LYS HA H 77 3.979 3.995 -0.016 1
1 1013 . 19 1 1 A 77 77 LYS C C 77 178.859 179.202 -0.343 1
1 1014 . 19 1 1 A 77 77 LYS CA C 77 57.800 58.581 -0.781 1
1 1015 . 19 1 1 A 77 77 LYS CB C 77 31.545 32.427 -0.882 1
1 1019 . 19 1 1 A 77 77 LYS N N 77 120.857 118.626 2.231 1
1 1020 . 19 1 1 A 78 78 ILE H H 78 7.754 7.727 0.027 1
1 1021 . 19 1 1 A 78 78 ILE HA H 78 3.679 3.738 -0.059 1
1 1031 . 19 1 1 A 78 78 ILE C C 78 178.202 177.927 0.275 1
1 1032 . 19 1 1 A 78 78 ILE CA C 78 65.997 65.141 0.856 1
1 1033 . 19 1 1 A 78 78 ILE CB C 78 38.343 38.044 0.299 1
1 1037 . 19 1 1 A 78 78 ILE N N 78 118.290 121.321 -3.031 1
1 1038 . 19 1 1 A 79 79 SER H H 79 8.386 8.819 -0.433 1
1 1039 . 19 1 1 A 79 79 SER HA H 79 4.049 4.227 -0.178 1
1 1042 . 19 1 1 A 79 79 SER C C 79 175.627 176.526 -0.899 1
1 1043 . 19 1 1 A 79 79 SER CA C 79 61.084 61.484 -0.400 1
1 1044 . 19 1 1 A 79 79 SER CB C 79 62.720 62.593 0.127 1
1 1045 . 19 1 1 A 79 79 SER N N 79 114.363 115.011 -0.648 1
1 1046 . 19 1 1 A 80 80 LYS H H 80 7.017 7.875 -0.858 1
1 1047 . 19 1 1 A 80 80 LYS HA H 80 4.005 4.082 -0.077 1
1 1056 . 19 1 1 A 80 80 LYS C C 80 177.361 177.260 0.101 1
1 1057 . 19 1 1 A 80 80 LYS CA C 80 57.098 57.733 -0.635 1
1 1058 . 19 1 1 A 80 80 LYS CB C 80 31.083 32.326 -1.243 1
1 1062 . 19 1 1 A 80 80 LYS N N 80 118.534 120.598 -2.064 1
1 1063 . 19 1 1 A 81 81 PHE H H 81 7.932 8.264 -0.332 1
1 1064 . 19 1 1 A 81 81 PHE HA H 81 4.467 4.373 0.094 1
1 1071 . 19 1 1 A 81 81 PHE C C 81 174.969 176.589 -1.620 1
1 1072 . 19 1 1 A 81 81 PHE CA C 81 58.500 59.212 -0.712 1
1 1073 . 19 1 1 A 81 81 PHE CB C 81 39.516 39.149 0.367 1
1 1078 . 19 1 1 A 81 81 PHE N N 81 114.880 117.041 -2.161 1
1 1079 . 19 1 1 A 82 82 LEU H H 82 7.487 7.209 0.278 1
1 1080 . 19 1 1 A 82 82 LEU HA H 82 4.666 4.293 0.373 1
1 1090 . 19 1 1 A 82 82 LEU C C 82 175.107 177.458 -2.351 1
1 1091 . 19 1 1 A 82 82 LEU CA C 82 52.875 56.205 -3.330 1
1 1092 . 19 1 1 A 82 82 LEU CB C 82 42.802 42.268 0.534 1
1 1096 . 19 1 1 A 82 82 LEU N N 82 122.945 118.005 4.940 1
1 1097 . 19 1 1 A 83 83 LYS H H 83 8.256 7.981 0.275 1
1 1098 . 19 1 1 A 83 83 LYS HA H 83 4.120 3.956 0.164 1
1 1107 . 19 1 1 A 83 83 LYS C C 83 176.236 176.604 -0.368 1
1 1108 . 19 1 1 A 83 83 LYS CA C 83 56.630 57.707 -1.077 1
1 1109 . 19 1 1 A 83 83 LYS CB C 83 31.786 32.017 -0.231 1
1 1113 . 19 1 1 A 83 83 LYS N N 83 118.856 118.956 -0.100 1
1 1114 . 19 1 1 A 84 84 ASN H H 84 8.684 8.211 0.473 1
1 1115 . 19 1 1 A 84 84 ASN HA H 84 4.304 4.795 -0.491 1
1 1120 . 19 1 1 A 84 84 ASN C C 84 173.846 175.211 -1.365 1
1 1121 . 19 1 1 A 84 84 ASN CA C 84 53.816 53.686 0.130 1
1 1122 . 19 1 1 A 84 84 ASN CB C 84 37.176 40.785 -3.609 1
1 1123 . 19 1 1 A 84 84 ASN N N 84 116.099 116.460 -0.361 1
1 1125 . 19 1 1 A 85 85 ARG H H 85 7.665 7.845 -0.180 1
1 1126 . 19 1 1 A 85 85 ARG HA H 85 4.675 4.794 -0.119 1
1 1132 . 19 1 1 A 85 85 ARG C C 85 175.529 174.501 1.028 1
1 1133 . 19 1 1 A 85 85 ARG CA C 85 53.112 54.314 -1.202 1
1 1134 . 19 1 1 A 85 85 ARG CB C 85 31.783 32.515 -0.732 1
1 1137 . 19 1 1 A 85 85 ARG N N 85 116.162 117.958 -1.796 1
1 1139 . 19 1 1 A 86 86 SER H H 86 8.864 8.519 0.345 1
1 1140 . 19 1 1 A 86 86 SER HA H 86 4.488 4.971 -0.483 1
1 1143 . 19 1 1 A 86 86 SER C C 86 174.407 175.198 -0.791 1
1 1144 . 19 1 1 A 86 86 SER CA C 86 57.093 55.921 1.172 1
1 1145 . 19 1 1 A 86 86 SER CB C 86 64.840 65.201 -0.361 1
1 1146 . 19 1 1 A 86 86 SER N N 86 119.204 114.564 4.640 1
1 1147 . 19 1 1 A 87 87 ASP H H 87 8.784 9.262 -0.478 1
1 1148 . 19 1 1 A 87 87 ASP HA H 87 4.095 4.418 -0.323 1
1 1151 . 19 1 1 A 87 87 ASP C C 87 178.111 178.148 -0.037 1
1 1152 . 19 1 1 A 87 87 ASP CA C 87 57.801 56.534 1.267 1
1 1153 . 19 1 1 A 87 87 ASP CB C 87 39.056 40.056 -1.000 1
1 1154 . 19 1 1 A 87 87 ASP N N 87 121.415 124.044 -2.629 1
1 1155 . 19 1 1 A 88 88 ASN H H 88 8.491 7.795 0.696 1
1 1156 . 19 1 1 A 88 88 ASN HA H 88 4.166 4.315 -0.149 1
1 1161 . 19 1 1 A 88 88 ASN C C 88 176.842 177.096 -0.254 1
1 1162 . 19 1 1 A 88 88 ASN CA C 88 55.458 55.384 0.074 1
1 1163 . 19 1 1 A 88 88 ASN CB C 88 38.103 38.042 0.061 1
1 1164 . 19 1 1 A 88 88 ASN N N 88 115.811 118.207 -2.396 1
1 1166 . 19 1 1 A 89 89 ASN H H 89 7.959 7.761 0.198 1
1 1167 . 19 1 1 A 89 89 ASN HA H 89 4.422 4.483 -0.061 1
1 1172 . 19 1 1 A 89 89 ASN C C 89 178.159 177.658 0.501 1
1 1173 . 19 1 1 A 89 89 ASN CA C 89 56.632 55.824 0.808 1
1 1174 . 19 1 1 A 89 89 ASN CB C 89 39.749 38.869 0.880 1
1 1175 . 19 1 1 A 89 89 ASN N N 89 120.679 117.803 2.876 1
1 1177 . 19 1 1 A 90 90 ILE H H 90 8.373 8.702 -0.329 1
1 1178 . 19 1 1 A 90 90 ILE HA H 90 3.840 4.074 -0.234 1
1 1188 . 19 1 1 A 90 90 ILE C C 90 176.191 177.699 -1.508 1
1 1189 . 19 1 1 A 90 90 ILE CA C 90 65.298 65.030 0.268 1
1 1190 . 19 1 1 A 90 90 ILE CB C 90 38.109 37.905 0.204 1
1 1194 . 19 1 1 A 90 90 ILE N N 90 120.840 119.738 1.102 1
1 1195 . 19 1 1 A 91 91 ARG H H 91 7.749 7.484 0.265 1
1 1196 . 19 1 1 A 91 91 ARG HA H 91 2.077 2.828 -0.751 1
1 1203 . 19 1 1 A 91 91 ARG C C 91 178.063 178.019 0.044 1
1 1204 . 19 1 1 A 91 91 ARG CA C 91 58.500 58.811 -0.311 1
1 1205 . 19 1 1 A 91 91 ARG CB C 91 28.969 29.684 -0.715 1
1 1208 . 19 1 1 A 91 91 ARG N N 91 120.230 120.219 0.011 1
1 1209 . 19 1 1 A 92 92 ASN H H 92 7.959 7.986 -0.027 1
1 1210 . 19 1 1 A 92 92 ASN HA H 92 4.167 4.399 -0.232 1
1 1215 . 19 1 1 A 92 92 ASN C C 92 177.689 177.824 -0.135 1
1 1216 . 19 1 1 A 92 92 ASN CA C 92 55.640 56.067 -0.427 1
1 1217 . 19 1 1 A 92 92 ASN CB C 92 37.644 38.737 -1.093 1
1 1218 . 19 1 1 A 92 92 ASN N N 92 115.405 117.706 -2.301 1
1 1220 . 19 1 1 A 93 93 ARG H H 93 7.872 8.350 -0.478 1
1 1221 . 19 1 1 A 93 93 ARG HA H 93 3.610 3.704 -0.094 1
1 1229 . 19 1 1 A 93 93 ARG C C 93 177.737 178.974 -1.237 1
1 1230 . 19 1 1 A 93 93 ARG CA C 93 57.263 59.090 -1.827 1
1 1231 . 19 1 1 A 93 93 ARG CB C 93 29.141 29.428 -0.287 1
1 1234 . 19 1 1 A 93 93 ARG N N 93 122.360 118.339 4.021 1
1 1236 . 19 1 1 A 94 94 TRP H H 94 8.411 8.763 -0.352 1
1 1237 . 19 1 1 A 94 94 TRP HA H 94 3.818 4.303 -0.485 1
1 1241 . 19 1 1 A 94 94 TRP N N 94 119.510 121.837 -2.327 1
1 1243 . 19 1 1 A 95 95 MET HA H 95 3.725 4.226 -0.501 1
1 1246 . 19 1 1 A 95 95 MET C C 95 178.580 178.384 0.196 1
1 1247 . 19 1 1 A 95 95 MET CA C 95 57.807 58.423 -0.616 1
1 1248 . 19 1 1 A 95 95 MET CB C 95 32.023 32.322 -0.299 1
1 1249 . 19 1 1 A 96 96 MET H H 96 7.580 7.747 -0.167 1
1 1250 . 19 1 1 A 96 96 MET HA H 96 3.980 4.225 -0.245 1
1 1255 . 19 1 1 A 96 96 MET C C 96 178.344 178.001 0.343 1
1 1256 . 19 1 1 A 96 96 MET CA C 96 58.033 57.794 0.239 1
1 1257 . 19 1 1 A 96 96 MET CB C 96 31.783 32.301 -0.518 1
1 1259 . 19 1 1 A 96 96 MET N N 96 118.340 118.798 -0.458 1
1 1260 . 19 1 1 A 97 97 ILE H H 97 7.884 8.144 -0.260 1
1 1261 . 19 1 1 A 97 97 ILE HA H 97 3.583 3.783 -0.200 1
1 1271 . 19 1 1 A 97 97 ILE C C 97 178.154 177.545 0.609 1
1 1272 . 19 1 1 A 97 97 ILE CA C 97 63.656 63.795 -0.139 1
1 1273 . 19 1 1 A 97 97 ILE CB C 97 37.637 36.715 0.922 1
1 1277 . 19 1 1 A 97 97 ILE N N 97 120.158 118.349 1.809 1
1 1278 . 19 1 1 A 98 98 ALA H H 98 8.064 8.134 -0.070 1
1 1279 . 19 1 1 A 98 98 ALA HA H 98 3.515 3.759 -0.244 1
1 1283 . 19 1 1 A 98 98 ALA C C 98 180.224 179.680 0.544 1
1 1284 . 19 1 1 A 98 98 ALA CA C 98 54.283 54.222 0.061 1
1 1285 . 19 1 1 A 98 98 ALA CB C 98 17.251 17.486 -0.235 1
1 1286 . 19 1 1 A 98 98 ALA N N 98 123.446 122.602 0.844 1
1 1287 . 19 1 1 A 99 99 ARG H H 99 7.623 7.787 -0.164 1
1 1288 . 19 1 1 A 99 99 ARG HA H 99 3.934 3.972 -0.038 1
1 1295 . 19 1 1 A 99 99 ARG C C 99 177.923 178.681 -0.758 1
1 1296 . 19 1 1 A 99 99 ARG CA C 99 57.968 58.570 -0.602 1
1 1297 . 19 1 1 A 99 99 ARG CB C 99 29.606 29.718 -0.112 1
1 1300 . 19 1 1 A 99 99 ARG N N 99 117.538 118.936 -1.398 1
1 1301 . 19 1 1 A 100 100 HIS H H 100 7.797 7.804 -0.007 1
1 1302 . 19 1 1 A 100 100 HIS HA H 100 4.409 4.202 0.207 1
1 1307 . 19 1 1 A 100 100 HIS C C 100 176.575 177.333 -0.758 1
1 1308 . 19 1 1 A 100 100 HIS CA C 100 57.109 59.168 -2.059 1
1 1309 . 19 1 1 A 100 100 HIS CB C 100 29.204 29.712 -0.508 1
1 1312 . 19 1 1 A 100 100 HIS N N 100 118.311 119.307 -0.996 1
1 1313 . 19 1 1 A 101 101 ARG H H 101 8.057 8.160 -0.103 1
1 1314 . 19 1 1 A 101 101 ARG HA H 101 4.062 3.950 0.112 1
1 1321 . 19 1 1 A 101 101 ARG C C 101 177.220 177.611 -0.391 1
1 1322 . 19 1 1 A 101 101 ARG CA C 101 57.556 58.530 -0.974 1
1 1323 . 19 1 1 A 101 101 ARG CB C 101 30.157 29.867 0.290 1
1 1326 . 19 1 1 A 101 101 ARG N N 101 119.935 119.434 0.501 1
1 1327 . 19 1 1 A 102 102 ALA H H 102 7.917 7.467 0.450 1
1 1328 . 19 1 1 A 102 102 ALA HA H 102 4.167 4.294 -0.127 1
1 1332 . 19 1 1 A 102 102 ALA C C 102 178.532 177.742 0.790 1
1 1333 . 19 1 1 A 102 102 ALA CA C 102 53.103 52.179 0.924 1
1 1334 . 19 1 1 A 102 102 ALA CB C 102 18.447 18.400 0.047 1
1 1335 . 19 1 1 A 102 102 ALA N N 102 122.678 120.436 2.242 1
1 1336 . 19 1 1 A 103 103 LYS H H 103 7.884 7.578 0.306 1
1 1337 . 19 1 1 A 103 103 LYS HA H 103 4.121 4.180 -0.059 1
1 1346 . 19 1 1 A 103 103 LYS C C 103 177.080 177.422 -0.342 1
1 1347 . 19 1 1 A 103 103 LYS CA C 103 56.856 55.457 1.399 1
1 1348 . 19 1 1 A 103 103 LYS CB C 103 32.480 31.290 1.190 1
1 1352 . 19 1 1 A 103 103 LYS N N 103 118.773 116.263 2.510 1
1 1353 . 19 1 1 A 104 104 HIS H H 104 8.118 7.978 0.140 1
1 1354 . 19 1 1 A 104 104 HIS HA H 104 4.560 4.298 0.262 1
1 1359 . 19 1 1 A 104 104 HIS C C 104 175.204 174.690 0.514 1
1 1360 . 19 1 1 A 104 104 HIS CA C 104 55.932 59.611 -3.679 1
1 1361 . 19 1 1 A 104 104 HIS CB C 104 29.448 27.770 1.678 1
1 1364 . 19 1 1 A 104 104 HIS N N 104 118.685 113.300 5.385 1
1 1365 . 19 1 1 A 105 105 GLN H H 105 8.233 9.217 -0.984 1
1 1366 . 19 1 1 A 105 105 GLN HA H 105 4.218 4.081 0.137 1
1 1373 . 19 1 1 A 105 105 GLN C C 105 176.172 176.080 0.092 1
1 1374 . 19 1 1 A 105 105 GLN CA C 105 56.130 58.577 -2.447 1
1 1375 . 19 1 1 A 105 105 GLN CB C 105 28.976 28.186 0.790 1
1 1377 . 19 1 1 A 105 105 GLN N N 105 121.104 118.576 2.528 1
1 1379 . 19 1 1 A 106 106 LYS H H 106 8.346 8.570 -0.224 1
1 1380 . 19 1 1 A 106 106 LYS HA H 106 4.239 4.088 0.151 1
1 1389 . 19 1 1 A 106 106 LYS C C 106 177.022 178.099 -1.077 1
1 1390 . 19 1 1 A 106 106 LYS CA C 106 56.647 59.113 -2.466 1
1 1391 . 19 1 1 A 106 106 LYS CB C 106 32.481 32.187 0.294 1
1 1395 . 19 1 1 A 106 106 LYS N N 106 122.274 119.456 2.818 1
1 16 . 20 1 1 A 2 2 VAL H H 2 8.319 8.539 -0.220 1
1 17 . 20 1 1 A 2 2 VAL HA H 2 4.096 4.083 0.013 1
1 25 . 20 1 1 A 2 2 VAL C C 2 176.167 177.485 -1.318 1
1 26 . 20 1 1 A 2 2 VAL CA C 2 67.781 62.144 5.637 1
1 27 . 20 1 1 A 2 2 VAL CB C 2 32.484 31.802 0.682 1
1 30 . 20 1 1 A 2 2 VAL N N 2 122.596 124.794 -2.198 1
1 31 . 20 1 1 A 3 3 LYS H H 3 8.470 8.536 -0.066 1
1 32 . 20 1 1 A 3 3 LYS HA H 3 4.327 3.876 0.451 1
1 41 . 20 1 1 A 3 3 LYS C C 3 176.713 176.959 -0.246 1
1 42 . 20 1 1 A 3 3 LYS CA C 3 56.391 59.851 -3.460 1
1 43 . 20 1 1 A 3 3 LYS CB C 3 32.723 32.202 0.521 1
1 47 . 20 1 1 A 3 3 LYS N N 3 127.359 123.982 3.377 1
1 48 . 20 1 1 A 4 4 PHE H H 4 8.471 7.109 1.362 1
1 49 . 20 1 1 A 4 4 PHE HA H 4 4.491 4.607 -0.116 1
1 57 . 20 1 1 A 4 4 PHE C C 4 177.923 175.631 2.292 1
1 58 . 20 1 1 A 4 4 PHE CA C 4 57.566 56.005 1.561 1
1 59 . 20 1 1 A 4 4 PHE CB C 4 39.751 40.319 -0.568 1
1 65 . 20 1 1 A 4 4 PHE N N 4 125.570 116.747 8.823 1
1 66 . 20 1 1 A 5 5 THR H H 5 8.880 8.810 0.070 1
1 67 . 20 1 1 A 5 5 THR HA H 5 4.490 4.728 -0.238 1
1 72 . 20 1 1 A 5 5 THR C C 5 175.297 176.516 -1.219 1
1 73 . 20 1 1 A 5 5 THR CA C 5 60.140 61.563 -1.423 1
1 74 . 20 1 1 A 5 5 THR CB C 5 70.922 70.091 0.831 1
1 76 . 20 1 1 A 5 5 THR N N 5 114.601 116.264 -1.663 1
1 77 . 20 1 1 A 6 6 GLU H H 6 9.000 9.140 -0.140 1
1 78 . 20 1 1 A 6 6 GLU HA H 6 4.142 4.238 -0.096 1
1 83 . 20 1 1 A 6 6 GLU C C 6 179.326 178.798 0.528 1
1 84 . 20 1 1 A 6 6 GLU CA C 6 59.675 59.752 -0.077 1
1 85 . 20 1 1 A 6 6 GLU CB C 6 29.203 29.300 -0.097 1
1 87 . 20 1 1 A 6 6 GLU N N 6 121.577 123.532 -1.955 1
1 88 . 20 1 1 A 7 7 GLU H H 7 8.658 8.375 0.283 1
1 89 . 20 1 1 A 7 7 GLU HA H 7 4.026 4.039 -0.013 1
1 94 . 20 1 1 A 7 7 GLU C C 7 179.616 178.998 0.618 1
1 95 . 20 1 1 A 7 7 GLU CA C 7 59.683 59.613 0.070 1
1 96 . 20 1 1 A 7 7 GLU CB C 7 28.972 29.157 -0.185 1
1 98 . 20 1 1 A 7 7 GLU N N 7 118.231 119.742 -1.511 1
1 99 . 20 1 1 A 8 8 GLU H H 8 7.930 8.036 -0.106 1
1 100 . 20 1 1 A 8 8 GLU HA H 8 3.955 4.093 -0.138 1
1 105 . 20 1 1 A 8 8 GLU C C 8 178.395 178.794 -0.399 1
1 106 . 20 1 1 A 8 8 GLU CA C 8 59.672 59.398 0.274 1
1 107 . 20 1 1 A 8 8 GLU CB C 8 31.318 29.650 1.668 1
1 109 . 20 1 1 A 8 8 GLU N N 8 121.169 119.608 1.561 1
1 110 . 20 1 1 A 9 9 ASP H H 9 8.507 8.439 0.068 1
1 111 . 20 1 1 A 9 9 ASP HA H 9 4.677 4.227 0.450 1
1 114 . 20 1 1 A 9 9 ASP C C 9 179.329 177.947 1.382 1
1 115 . 20 1 1 A 9 9 ASP CA C 9 57.562 57.010 0.552 1
1 116 . 20 1 1 A 9 9 ASP CB C 9 40.217 41.692 -1.475 1
1 117 . 20 1 1 A 9 9 ASP N N 9 121.164 120.139 1.025 1
1 118 . 20 1 1 A 10 10 LEU H H 10 8.042 7.816 0.226 1
1 119 . 20 1 1 A 10 10 LEU HA H 10 4.143 3.962 0.181 1
1 129 . 20 1 1 A 10 10 LEU C C 10 179.329 179.080 0.249 1
1 130 . 20 1 1 A 10 10 LEU CA C 10 57.796 57.395 0.401 1
1 131 . 20 1 1 A 10 10 LEU CB C 10 41.392 41.255 0.137 1
1 135 . 20 1 1 A 10 10 LEU N N 10 120.628 119.693 0.935 1
1 136 . 20 1 1 A 11 11 LYS H H 11 8.040 8.442 -0.402 1
1 137 . 20 1 1 A 11 11 LYS HA H 11 4.049 4.162 -0.113 1
1 146 . 20 1 1 A 11 11 LYS C C 11 178.345 178.634 -0.289 1
1 147 . 20 1 1 A 11 11 LYS CA C 11 59.199 59.927 -0.728 1
1 148 . 20 1 1 A 11 11 LYS CB C 11 32.488 31.917 0.571 1
1 152 . 20 1 1 A 11 11 LYS N N 11 121.016 120.402 0.614 1
1 153 . 20 1 1 A 12 12 LEU H H 12 8.865 7.993 0.872 1
1 154 . 20 1 1 A 12 12 LEU HA H 12 4.258 3.941 0.317 1
1 164 . 20 1 1 A 12 12 LEU C C 12 178.298 179.080 -0.782 1
1 165 . 20 1 1 A 12 12 LEU CA C 12 58.500 58.053 0.447 1
1 166 . 20 1 1 A 12 12 LEU CB C 12 41.389 41.580 -0.191 1
1 169 . 20 1 1 A 12 12 LEU N N 12 120.138 119.131 1.007 1
1 170 . 20 1 1 A 13 13 GLN H H 13 8.400 7.979 0.421 1
1 171 . 20 1 1 A 13 13 GLN HA H 13 4.097 3.974 0.123 1
1 178 . 20 1 1 A 13 13 GLN C C 13 178.254 177.957 0.297 1
1 179 . 20 1 1 A 13 13 GLN CA C 13 59.693 59.291 0.402 1
1 180 . 20 1 1 A 13 13 GLN CB C 13 28.733 28.331 0.402 1
1 182 . 20 1 1 A 13 13 GLN N N 13 117.136 118.784 -1.648 1
1 184 . 20 1 1 A 14 14 GLN H H 14 8.175 7.570 0.605 1
1 185 . 20 1 1 A 14 14 GLN HA H 14 3.980 4.173 -0.193 1
1 192 . 20 1 1 A 14 14 GLN C C 14 179.518 178.428 1.090 1
1 193 . 20 1 1 A 14 14 GLN CA C 14 58.745 58.146 0.599 1
1 194 . 20 1 1 A 14 14 GLN CB C 14 28.034 28.795 -0.761 1
1 196 . 20 1 1 A 14 14 GLN N N 14 117.947 117.988 -0.041 1
1 198 . 20 1 1 A 15 15 LEU H H 15 8.721 8.521 0.200 1
1 199 . 20 1 1 A 15 15 LEU HA H 15 4.143 3.952 0.191 1
1 209 . 20 1 1 A 15 15 LEU C C 15 178.956 179.047 -0.091 1
1 210 . 20 1 1 A 15 15 LEU CA C 15 57.562 58.083 -0.521 1
1 211 . 20 1 1 A 15 15 LEU CB C 15 42.801 42.216 0.585 1
1 215 . 20 1 1 A 15 15 LEU N N 15 120.641 120.210 0.431 1
1 216 . 20 1 1 A 16 16 VAL H H 16 8.603 8.475 0.128 1
1 217 . 20 1 1 A 16 16 VAL HA H 16 3.230 3.400 -0.170 1
1 225 . 20 1 1 A 16 16 VAL C C 16 179.988 178.155 1.833 1
1 226 . 20 1 1 A 16 16 VAL CA C 16 65.733 66.906 -1.173 1
1 227 . 20 1 1 A 16 16 VAL CB C 16 30.609 31.519 -0.910 1
1 230 . 20 1 1 A 16 16 VAL N N 16 120.873 117.409 3.464 1
1 231 . 20 1 1 A 17 17 MET H H 17 8.058 8.159 -0.101 1
1 232 . 20 1 1 A 17 17 MET HA H 17 4.050 4.214 -0.164 1
1 237 . 20 1 1 A 17 17 MET C C 17 177.501 178.448 -0.947 1
1 238 . 20 1 1 A 17 17 MET CA C 17 58.270 58.086 0.184 1
1 239 . 20 1 1 A 17 17 MET CB C 17 31.784 32.211 -0.427 1
1 241 . 20 1 1 A 17 17 MET N N 17 119.240 120.126 -0.886 1
1 242 . 20 1 1 A 18 18 ARG H H 18 7.406 7.947 -0.541 1
1 243 . 20 1 1 A 18 18 ARG HA H 18 3.957 3.895 0.062 1
1 250 . 20 1 1 A 18 18 ARG C C 18 177.691 177.355 0.336 1
1 251 . 20 1 1 A 18 18 ARG CA C 18 58.301 58.070 0.231 1
1 252 . 20 1 1 A 18 18 ARG CB C 18 30.842 29.865 0.977 1
1 255 . 20 1 1 A 18 18 ARG N N 18 117.487 120.660 -3.173 1
1 256 . 20 1 1 A 19 19 TYR H H 19 8.571 7.538 1.033 1
1 257 . 20 1 1 A 19 19 TYR HA H 19 4.490 4.487 0.003 1
1 264 . 20 1 1 A 19 19 TYR C C 19 176.706 175.768 0.938 1
1 265 . 20 1 1 A 19 19 TYR CA C 19 58.739 57.613 1.126 1
1 266 . 20 1 1 A 19 19 TYR CB C 19 39.044 38.548 0.496 1
1 271 . 20 1 1 A 19 19 TYR N N 19 115.284 115.477 -0.193 1
1 272 . 20 1 1 A 20 20 GLY H H 20 8.148 9.505 -1.357 1
1 273 . 20 1 1 A 20 20 GLY HA2 H 20 3.609 3.868 -0.259 1
1 274 . 20 1 1 A 20 20 GLY HA3 H 20 4.137 3.905 0.232 1
1 275 . 20 1 1 A 20 20 GLY C C 20 171.784 173.765 -1.981 1
1 276 . 20 1 1 A 20 20 GLY CA C 20 43.972 46.605 -2.633 1
1 277 . 20 1 1 A 20 20 GLY N N 20 110.830 108.492 2.338 1
1 278 . 20 1 1 A 21 21 ALA H H 21 7.886 7.721 0.165 1
1 279 . 20 1 1 A 21 21 ALA HA H 21 3.400 3.838 -0.438 1
1 283 . 20 1 1 A 21 21 ALA C C 21 176.002 176.770 -0.768 1
1 284 . 20 1 1 A 21 21 ALA CA C 21 49.825 50.964 -1.139 1
1 285 . 20 1 1 A 21 21 ALA CB C 21 17.960 18.201 -0.241 1
1 286 . 20 1 1 A 21 21 ALA N N 21 119.337 121.969 -2.632 1
1 287 . 20 1 1 A 22 22 LYS H H 22 7.424 7.639 -0.215 1
1 288 . 20 1 1 A 22 22 LYS HA H 22 4.258 4.521 -0.263 1
1 297 . 20 1 1 A 22 22 LYS C C 22 175.769 176.206 -0.437 1
1 298 . 20 1 1 A 22 22 LYS CA C 22 55.921 56.527 -0.606 1
1 299 . 20 1 1 A 22 22 LYS CB C 22 33.371 34.816 -1.445 1
1 303 . 20 1 1 A 22 22 LYS N N 22 115.793 114.550 1.243 1
1 304 . 20 1 1 A 23 23 ASP H H 23 7.724 7.534 0.190 1
1 305 . 20 1 1 A 23 23 ASP HA H 23 4.700 4.956 -0.256 1
1 308 . 20 1 1 A 23 23 ASP C C 23 176.142 176.206 -0.064 1
1 309 . 20 1 1 A 23 23 ASP CA C 23 51.704 52.953 -1.249 1
1 310 . 20 1 1 A 23 23 ASP CB C 23 39.514 40.658 -1.144 1
1 311 . 20 1 1 A 23 23 ASP N N 23 119.398 118.318 1.080 1
1 312 . 20 1 1 A 24 24 TRP H H 24 8.035 7.612 0.423 1
1 313 . 20 1 1 A 24 24 TRP HA H 24 4.258 4.204 0.054 1
1 322 . 20 1 1 A 24 24 TRP C C 24 178.252 178.943 -0.691 1
1 323 . 20 1 1 A 24 24 TRP CA C 24 58.736 59.727 -0.991 1
1 324 . 20 1 1 A 24 24 TRP CB C 24 28.970 29.381 -0.411 1
1 330 . 20 1 1 A 24 24 TRP N N 24 123.130 120.309 2.821 1
1 332 . 20 1 1 A 25 25 ILE H H 25 8.092 7.650 0.442 1
1 333 . 20 1 1 A 25 25 ILE HA H 25 3.724 3.753 -0.029 1
1 343 . 20 1 1 A 25 25 ILE C C 25 177.806 177.610 0.196 1
1 344 . 20 1 1 A 25 25 ILE CA C 25 65.060 64.642 0.418 1
1 345 . 20 1 1 A 25 25 ILE CB C 25 36.234 37.453 -1.219 1
1 349 . 20 1 1 A 25 25 ILE N N 25 121.518 117.248 4.270 1
1 350 . 20 1 1 A 26 26 ARG H H 26 7.503 7.647 -0.144 1
1 351 . 20 1 1 A 26 26 ARG HA H 26 3.864 3.973 -0.109 1
1 358 . 20 1 1 A 26 26 ARG C C 26 178.303 178.608 -0.305 1
1 359 . 20 1 1 A 26 26 ARG CA C 26 58.267 58.714 -0.447 1
1 360 . 20 1 1 A 26 26 ARG CB C 26 29.680 29.696 -0.016 1
1 363 . 20 1 1 A 26 26 ARG N N 26 122.119 120.772 1.347 1
1 364 . 20 1 1 A 27 27 ILE H H 27 7.340 7.834 -0.494 1
1 365 . 20 1 1 A 27 27 ILE HA H 27 3.450 3.663 -0.213 1
1 375 . 20 1 1 A 27 27 ILE C C 27 177.689 178.459 -0.770 1
1 376 . 20 1 1 A 27 27 ILE CA C 27 63.893 65.148 -1.255 1
1 377 . 20 1 1 A 27 27 ILE CB C 27 36.474 37.238 -0.764 1
1 381 . 20 1 1 A 27 27 ILE N N 27 115.446 119.952 -4.506 1
1 382 . 20 1 1 A 28 28 SER H H 28 8.203 8.445 -0.242 1
1 383 . 20 1 1 A 28 28 SER HA H 28 4.144 4.327 -0.183 1
1 386 . 20 1 1 A 28 28 SER C C 28 177.220 177.049 0.171 1
1 387 . 20 1 1 A 28 28 SER CA C 28 61.085 61.414 -0.329 1
1 388 . 20 1 1 A 28 28 SER CB C 28 63.421 63.145 0.276 1
1 389 . 20 1 1 A 28 28 SER N N 28 113.324 116.931 -3.607 1
1 390 . 20 1 1 A 29 29 GLN H H 29 8.177 7.289 0.888 1
1 391 . 20 1 1 A 29 29 GLN HA H 29 4.003 4.058 -0.055 1
1 398 . 20 1 1 A 29 29 GLN C C 29 178.910 179.021 -0.111 1
1 399 . 20 1 1 A 29 29 GLN CA C 29 58.503 58.850 -0.347 1
1 400 . 20 1 1 A 29 29 GLN CB C 29 27.796 28.259 -0.463 1
1 402 . 20 1 1 A 29 29 GLN N N 29 120.561 121.655 -1.094 1
1 404 . 20 1 1 A 30 30 LEU H H 30 7.494 7.542 -0.048 1
1 405 . 20 1 1 A 30 30 LEU HA H 30 4.258 4.215 0.043 1
1 415 . 20 1 1 A 30 30 LEU C C 30 178.956 177.153 1.803 1
1 416 . 20 1 1 A 30 30 LEU CA C 30 55.675 57.078 -1.403 1
1 417 . 20 1 1 A 30 30 LEU CB C 30 42.559 42.508 0.051 1
1 421 . 20 1 1 A 30 30 LEU N N 30 118.106 119.540 -1.434 1
1 422 . 20 1 1 A 31 31 MET H H 31 8.399 7.532 0.867 1
1 423 . 20 1 1 A 31 31 MET HA H 31 4.329 4.905 -0.576 1
1 428 . 20 1 1 A 31 31 MET C C 31 179.515 176.358 3.157 1
1 429 . 20 1 1 A 31 31 MET CA C 31 55.921 54.337 1.584 1
1 430 . 20 1 1 A 31 31 MET CB C 31 31.310 31.580 -0.270 1
1 432 . 20 1 1 A 31 31 MET N N 31 120.008 115.716 4.292 1
1 433 . 20 1 1 A 32 32 ILE H H 32 8.177 8.070 0.107 1
1 434 . 20 1 1 A 32 32 ILE HA H 32 3.423 4.097 -0.674 1
1 444 . 20 1 1 A 32 32 ILE C C 32 179.473 177.872 1.601 1
1 445 . 20 1 1 A 32 32 ILE CA C 32 67.639 63.309 4.330 1
1 446 . 20 1 1 A 32 32 ILE CB C 32 35.767 37.802 -2.035 1
1 450 . 20 1 1 A 32 32 ILE N N 32 114.338 119.266 -4.928 1
1 451 . 20 1 1 A 33 33 THR H H 33 8.957 7.788 1.169 1
1 452 . 20 1 1 A 33 33 THR HA H 33 4.143 4.149 -0.006 1
1 457 . 20 1 1 A 33 33 THR C C 33 174.361 174.535 -0.174 1
1 458 . 20 1 1 A 33 33 THR CA C 33 62.251 65.163 -2.912 1
1 459 . 20 1 1 A 33 33 THR CB C 33 68.581 68.645 -0.064 1
1 461 . 20 1 1 A 33 33 THR N N 33 110.164 115.305 -5.141 1
1 462 . 20 1 1 A 34 34 ARG H H 34 6.509 7.365 -0.856 1
1 463 . 20 1 1 A 34 34 ARG HA H 34 4.862 4.747 0.115 1
1 470 . 20 1 1 A 34 34 ARG C C 34 174.922 174.409 0.513 1
1 471 . 20 1 1 A 34 34 ARG CA C 34 51.939 54.492 -2.553 1
1 472 . 20 1 1 A 34 34 ARG CB C 34 36.061 32.980 3.081 1
1 475 . 20 1 1 A 34 34 ARG N N 34 116.058 116.135 -0.077 1
1 476 . 20 1 1 A 35 35 ASN H H 35 8.733 8.774 -0.041 1
1 477 . 20 1 1 A 35 35 ASN HA H 35 4.810 5.121 -0.311 1
1 482 . 20 1 1 A 35 35 ASN C C 35 173.986 175.305 -1.319 1
1 483 . 20 1 1 A 35 35 ASN CA C 35 52.107 51.654 0.453 1
1 484 . 20 1 1 A 35 35 ASN CB C 35 36.636 38.175 -1.539 1
1 485 . 20 1 1 A 35 35 ASN N N 35 122.840 117.897 4.943 1
1 487 . 20 1 1 A 36 36 PRO HA H 36 4.197 4.627 -0.430 1
1 494 . 20 1 1 A 36 36 PRO C C 36 178.019 178.922 -0.903 1
1 495 . 20 1 1 A 36 36 PRO CA C 36 67.412 65.720 1.692 1
1 496 . 20 1 1 A 36 36 PRO CB C 36 32.018 31.854 0.164 1
1 499 . 20 1 1 A 37 37 ARG H H 37 7.804 8.550 -0.746 1
1 500 . 20 1 1 A 37 37 ARG HA H 37 3.749 3.863 -0.114 1
1 507 . 20 1 1 A 37 37 ARG C C 37 178.300 179.143 -0.843 1
1 508 . 20 1 1 A 37 37 ARG CA C 37 59.202 58.946 0.256 1
1 509 . 20 1 1 A 37 37 ARG CB C 37 29.435 29.506 -0.071 1
1 512 . 20 1 1 A 37 37 ARG N N 37 117.759 118.566 -0.807 1
1 513 . 20 1 1 A 38 38 GLN H H 38 8.682 7.840 0.842 1
1 514 . 20 1 1 A 38 38 GLN HA H 38 4.043 4.078 -0.035 1
1 521 . 20 1 1 A 38 38 GLN C C 38 180.078 178.746 1.332 1
1 522 . 20 1 1 A 38 38 GLN CA C 38 58.506 59.029 -0.523 1
1 523 . 20 1 1 A 38 38 GLN CB C 38 29.431 28.596 0.835 1
1 525 . 20 1 1 A 38 38 GLN N N 38 117.504 118.921 -1.417 1
1 527 . 20 1 1 A 39 39 CYS H H 39 8.095 7.995 0.100 1
1 528 . 20 1 1 A 39 39 CYS HA H 39 4.059 4.241 -0.182 1
1 531 . 20 1 1 A 39 39 CYS C C 39 173.893 177.110 -3.217 1
1 532 . 20 1 1 A 39 39 CYS CA C 39 64.592 63.295 1.297 1
1 533 . 20 1 1 A 39 39 CYS CB C 39 27.328 26.644 0.684 1
1 534 . 20 1 1 A 39 39 CYS N N 39 116.291 118.576 -2.285 1
1 535 . 20 1 1 A 40 40 ARG H H 40 7.589 7.700 -0.111 1
1 536 . 20 1 1 A 40 40 ARG HA H 40 1.821 2.917 -1.096 1
1 543 . 20 1 1 A 40 40 ARG C C 40 178.204 178.766 -0.562 1
1 544 . 20 1 1 A 40 40 ARG CA C 40 58.264 58.954 -0.690 1
1 545 . 20 1 1 A 40 40 ARG CB C 40 29.440 28.968 0.472 1
1 548 . 20 1 1 A 40 40 ARG N N 40 121.272 122.309 -1.037 1
1 549 . 20 1 1 A 41 41 GLU H H 41 8.352 8.265 0.087 1
1 550 . 20 1 1 A 41 41 GLU HA H 41 3.817 3.989 -0.172 1
1 555 . 20 1 1 A 41 41 GLU C C 41 178.718 179.644 -0.926 1
1 556 . 20 1 1 A 41 41 GLU CA C 41 58.971 59.432 -0.461 1
1 557 . 20 1 1 A 41 41 GLU CB C 41 28.972 29.227 -0.255 1
1 559 . 20 1 1 A 41 41 GLU N N 41 117.034 117.563 -0.529 1
1 560 . 20 1 1 A 42 42 ARG H H 42 7.755 7.621 0.134 1
1 561 . 20 1 1 A 42 42 ARG HA H 42 3.931 4.270 -0.339 1
1 568 . 20 1 1 A 42 42 ARG C C 42 179.333 178.710 0.623 1
1 569 . 20 1 1 A 42 42 ARG CA C 42 57.261 58.925 -1.664 1
1 570 . 20 1 1 A 42 42 ARG CB C 42 29.610 30.409 -0.799 1
1 573 . 20 1 1 A 42 42 ARG N N 42 119.603 119.699 -0.096 1
1 574 . 20 1 1 A 43 43 TRP H H 43 8.199 7.940 0.259 1
1 575 . 20 1 1 A 43 43 TRP HA H 43 4.292 4.369 -0.077 1
1 579 . 20 1 1 A 43 43 TRP C C 43 176.705 178.393 -1.688 1
1 580 . 20 1 1 A 43 43 TRP CA C 43 57.006 61.321 -4.315 1
1 581 . 20 1 1 A 43 43 TRP CB C 43 29.620 29.701 -0.081 1
1 582 . 20 1 1 A 43 43 TRP N N 43 119.355 122.104 -2.749 1
1 584 . 20 1 1 A 44 44 ASN H H 44 8.478 8.471 0.007 1
1 585 . 20 1 1 A 44 44 ASN HA H 44 4.177 4.232 -0.055 1
1 590 . 20 1 1 A 44 44 ASN C C 44 176.986 177.127 -0.141 1
1 591 . 20 1 1 A 44 44 ASN CA C 44 55.457 55.980 -0.523 1
1 592 . 20 1 1 A 44 44 ASN CB C 44 38.347 37.389 0.958 1
1 593 . 20 1 1 A 44 44 ASN N N 44 113.530 117.216 -3.686 1
1 595 . 20 1 1 A 45 45 ASN H H 45 8.060 7.951 0.109 1
1 596 . 20 1 1 A 45 45 ASN HA H 45 4.630 4.720 -0.090 1
1 601 . 20 1 1 A 45 45 ASN C C 45 175.347 174.910 0.437 1
1 602 . 20 1 1 A 45 45 ASN CA C 45 53.350 53.678 -0.328 1
1 603 . 20 1 1 A 45 45 ASN CB C 45 39.047 39.106 -0.059 1
1 604 . 20 1 1 A 45 45 ASN N N 45 112.540 115.951 -3.411 1
1 606 . 20 1 1 A 46 46 TYR H H 46 7.443 7.966 -0.523 1
1 607 . 20 1 1 A 46 46 TYR HA H 46 4.447 4.901 -0.454 1
1 614 . 20 1 1 A 46 46 TYR C C 46 175.439 175.087 0.352 1
1 615 . 20 1 1 A 46 46 TYR CA C 46 60.074 59.343 0.731 1
1 616 . 20 1 1 A 46 46 TYR CB C 46 40.383 40.543 -0.160 1
1 621 . 20 1 1 A 46 46 TYR N N 46 117.403 118.840 -1.437 1
1 622 . 20 1 1 A 47 47 ILE HA H 47 3.786 4.728 -0.942 1
1 632 . 20 1 1 A 47 47 ILE C C 47 175.440 174.366 1.074 1
1 633 . 20 1 1 A 47 47 ILE CA C 47 62.240 59.311 2.929 1
1 634 . 20 1 1 A 47 47 ILE CB C 47 38.670 41.130 -2.460 1
1 638 . 20 1 1 A 48 48 ASN H H 48 7.922 8.809 -0.887 1
1 639 . 20 1 1 A 48 48 ASN HA H 48 3.795 4.832 -1.037 1
1 642 . 20 1 1 A 48 48 ASN C C 48 174.640 174.843 -0.203 1
1 643 . 20 1 1 A 48 48 ASN N N 48 119.990 120.656 -0.666 1
1 645 . 20 1 1 A 49 49 PRO HA H 49 4.166 4.367 -0.201 1
1 652 . 20 1 1 A 49 49 PRO C C 49 177.408 177.046 0.362 1
1 653 . 20 1 1 A 49 49 PRO CA C 49 64.124 65.016 -0.892 1
1 654 . 20 1 1 A 49 49 PRO CB C 49 31.313 31.743 -0.430 1
1 657 . 20 1 1 A 50 50 ALA H H 50 7.595 7.655 -0.060 1
1 658 . 20 1 1 A 50 50 ALA HA H 50 4.128 4.538 -0.410 1
1 662 . 20 1 1 A 50 50 ALA C C 50 178.251 176.848 1.403 1
1 663 . 20 1 1 A 50 50 ALA CA C 50 52.642 51.442 1.200 1
1 664 . 20 1 1 A 50 50 ALA CB C 50 18.422 18.861 -0.439 1
1 665 . 20 1 1 A 50 50 ALA N N 50 120.036 118.590 1.446 1
1 666 . 20 1 1 A 51 51 LEU H H 51 7.586 8.120 -0.534 1
1 667 . 20 1 1 A 51 51 LEU HA H 51 4.119 4.670 -0.551 1
1 677 . 20 1 1 A 51 51 LEU C C 51 177.686 177.855 -0.169 1
1 678 . 20 1 1 A 51 51 LEU CA C 51 55.219 54.488 0.731 1
1 679 . 20 1 1 A 51 51 LEU CB C 51 41.883 42.106 -0.223 1
1 683 . 20 1 1 A 51 51 LEU N N 51 118.197 117.863 0.334 1
1 684 . 20 1 1 A 52 52 ARG H H 52 8.013 7.867 0.146 1
1 685 . 20 1 1 A 52 52 ARG HA H 52 4.334 4.131 0.203 1
1 692 . 20 1 1 A 52 52 ARG C C 52 176.658 176.285 0.373 1
1 693 . 20 1 1 A 52 52 ARG CA C 52 55.923 58.752 -2.829 1
1 694 . 20 1 1 A 52 52 ARG CB C 52 31.086 30.449 0.637 1
1 697 . 20 1 1 A 52 52 ARG N N 52 119.899 120.622 -0.723 1
1 698 . 20 1 1 A 53 53 THR H H 53 8.187 7.560 0.627 1
1 699 . 20 1 1 A 53 53 THR HA H 53 4.345 4.566 -0.221 1
1 704 . 20 1 1 A 53 53 THR C C 53 173.892 173.035 0.857 1
1 705 . 20 1 1 A 53 53 THR CA C 53 60.611 61.317 -0.706 1
1 706 . 20 1 1 A 53 53 THR CB C 53 69.514 69.242 0.272 1
1 708 . 20 1 1 A 53 53 THR N N 53 113.907 112.890 1.017 1
1 709 . 20 1 1 A 54 54 ASP H H 54 8.430 8.634 -0.204 1
1 710 . 20 1 1 A 54 54 ASP HA H 54 4.810 5.227 -0.417 1
1 713 . 20 1 1 A 54 54 ASP C C 54 174.082 173.122 0.960 1
1 714 . 20 1 1 A 54 54 ASP CA C 54 52.578 51.625 0.953 1
1 715 . 20 1 1 A 54 54 ASP CB C 54 39.685 41.760 -2.075 1
1 716 . 20 1 1 A 54 54 ASP N N 54 123.174 126.545 -3.371 1
1 717 . 20 1 1 A 55 55 PRO HA H 55 4.561 4.217 0.344 1
1 724 . 20 1 1 A 55 55 PRO C C 55 177.127 176.528 0.599 1
1 725 . 20 1 1 A 55 55 PRO CA C 55 62.958 63.013 -0.055 1
1 726 . 20 1 1 A 55 55 PRO CB C 55 32.013 31.720 0.293 1
1 729 . 20 1 1 A 56 56 TRP H H 56 8.721 7.513 1.208 1
1 730 . 20 1 1 A 56 56 TRP HA H 56 4.351 4.958 -0.607 1
1 739 . 20 1 1 A 56 56 TRP C C 56 177.127 175.136 1.991 1
1 740 . 20 1 1 A 56 56 TRP CA C 56 57.796 56.264 1.532 1
1 741 . 20 1 1 A 56 56 TRP CB C 56 28.732 31.389 -2.657 1
1 747 . 20 1 1 A 56 56 TRP N N 56 124.713 119.926 4.787 1
1 749 . 20 1 1 A 57 57 SER H H 57 9.085 8.733 0.352 1
1 750 . 20 1 1 A 57 57 SER HA H 57 4.957 4.921 0.036 1
1 753 . 20 1 1 A 57 57 SER C C 57 173.562 174.192 -0.630 1
1 754 . 20 1 1 A 57 57 SER CA C 57 55.852 55.709 0.143 1
1 755 . 20 1 1 A 57 57 SER CB C 57 63.824 65.851 -2.027 1
1 756 . 20 1 1 A 57 57 SER N N 57 122.041 115.572 6.469 1
1 757 . 20 1 1 A 58 58 PRO HA H 58 4.444 4.296 0.148 1
1 764 . 20 1 1 A 58 58 PRO C C 58 179.777 178.763 1.014 1
1 765 . 20 1 1 A 58 58 PRO CA C 58 65.071 65.108 -0.037 1
1 766 . 20 1 1 A 58 58 PRO CB C 58 31.546 31.935 -0.389 1
1 769 . 20 1 1 A 59 59 GLU H H 59 8.788 8.441 0.347 1
1 770 . 20 1 1 A 59 59 GLU HA H 59 4.088 4.110 -0.022 1
1 775 . 20 1 1 A 59 59 GLU C C 59 179.656 179.252 0.404 1
1 776 . 20 1 1 A 59 59 GLU CA C 59 60.373 59.990 0.383 1
1 777 . 20 1 1 A 59 59 GLU CB C 59 28.505 29.040 -0.535 1
1 779 . 20 1 1 A 59 59 GLU N N 59 117.546 117.255 0.291 1
1 780 . 20 1 1 A 60 60 GLU H H 60 7.977 8.122 -0.145 1
1 781 . 20 1 1 A 60 60 GLU HA H 60 4.015 4.091 -0.076 1
1 786 . 20 1 1 A 60 60 GLU C C 60 178.440 178.839 -0.399 1
1 787 . 20 1 1 A 60 60 GLU CA C 60 59.913 59.133 0.780 1
1 788 . 20 1 1 A 60 60 GLU CB C 60 31.541 28.851 2.690 1
1 790 . 20 1 1 A 60 60 GLU N N 60 122.264 119.505 2.759 1
1 791 . 20 1 1 A 61 61 ASP H H 61 8.267 8.126 0.141 1
1 792 . 20 1 1 A 61 61 ASP HA H 61 4.654 4.582 0.072 1
1 795 . 20 1 1 A 61 61 ASP C C 61 179.469 178.527 0.942 1
1 796 . 20 1 1 A 61 61 ASP CA C 61 57.562 57.575 -0.013 1
1 797 . 20 1 1 A 61 61 ASP CB C 61 39.987 41.437 -1.450 1
1 798 . 20 1 1 A 61 61 ASP N N 61 120.543 120.350 0.193 1
1 799 . 20 1 1 A 62 62 MET H H 62 8.139 8.707 -0.568 1
1 800 . 20 1 1 A 62 62 MET HA H 62 4.284 4.240 0.044 1
1 805 . 20 1 1 A 62 62 MET C C 62 178.811 178.214 0.597 1
1 806 . 20 1 1 A 62 62 MET CA C 62 58.505 58.313 0.192 1
1 807 . 20 1 1 A 62 62 MET CB C 62 32.251 32.400 -0.149 1
1 809 . 20 1 1 A 62 62 MET N N 62 119.343 118.367 0.976 1
1 810 . 20 1 1 A 63 63 LEU H H 63 7.959 7.647 0.312 1
1 811 . 20 1 1 A 63 63 LEU HA H 63 4.212 4.106 0.106 1
1 821 . 20 1 1 A 63 63 LEU C C 63 177.642 178.231 -0.589 1
1 822 . 20 1 1 A 63 63 LEU CA C 63 57.562 57.220 0.342 1
1 823 . 20 1 1 A 63 63 LEU CB C 63 42.096 42.018 0.078 1
1 827 . 20 1 1 A 63 63 LEU N N 63 122.676 122.866 -0.190 1
1 828 . 20 1 1 A 64 64 LEU H H 64 8.784 8.429 0.355 1
1 829 . 20 1 1 A 64 64 LEU HA H 64 4.119 4.084 0.035 1
1 839 . 20 1 1 A 64 64 LEU C C 64 177.515 178.049 -0.534 1
1 840 . 20 1 1 A 64 64 LEU CA C 64 58.738 57.247 1.491 1
1 841 . 20 1 1 A 64 64 LEU CB C 64 41.395 42.294 -0.899 1
1 845 . 20 1 1 A 64 64 LEU N N 64 120.877 119.917 0.960 1
1 846 . 20 1 1 A 65 65 ASP H H 65 8.085 8.979 -0.894 1
1 847 . 20 1 1 A 65 65 ASP HA H 65 4.630 4.539 0.091 1
1 850 . 20 1 1 A 65 65 ASP C C 65 179.391 178.338 1.053 1
1 851 . 20 1 1 A 65 65 ASP CA C 65 57.566 57.543 0.023 1
1 852 . 20 1 1 A 65 65 ASP CB C 65 41.626 42.130 -0.504 1
1 853 . 20 1 1 A 65 65 ASP N N 65 118.583 119.436 -0.853 1
1 854 . 20 1 1 A 66 66 GLN H H 66 8.336 7.920 0.416 1
1 855 . 20 1 1 A 66 66 GLN HA H 66 4.050 4.129 -0.079 1
1 862 . 20 1 1 A 66 66 GLN C C 66 179.565 178.539 1.026 1
1 863 . 20 1 1 A 66 66 GLN CA C 66 58.739 58.421 0.318 1
1 864 . 20 1 1 A 66 66 GLN CB C 66 28.502 28.604 -0.102 1
1 866 . 20 1 1 A 66 66 GLN N N 66 118.725 117.837 0.888 1
1 868 . 20 1 1 A 67 67 LYS H H 67 9.126 7.420 1.706 1
1 869 . 20 1 1 A 67 67 LYS HA H 67 4.142 3.972 0.170 1
1 878 . 20 1 1 A 67 67 LYS C C 67 178.671 178.774 -0.103 1
1 879 . 20 1 1 A 67 67 LYS CA C 67 56.156 58.858 -2.702 1
1 880 . 20 1 1 A 67 67 LYS CB C 67 31.550 32.705 -1.155 1
1 884 . 20 1 1 A 67 67 LYS N N 67 117.220 120.160 -2.940 1
1 885 . 20 1 1 A 68 68 TYR H H 68 9.361 8.713 0.648 1
1 886 . 20 1 1 A 68 68 TYR HA H 68 3.819 4.095 -0.276 1
1 893 . 20 1 1 A 68 68 TYR C C 68 179.235 178.034 1.201 1
1 894 . 20 1 1 A 68 68 TYR CA C 68 61.547 61.832 -0.285 1
1 895 . 20 1 1 A 68 68 TYR CB C 68 37.881 38.560 -0.679 1
1 900 . 20 1 1 A 68 68 TYR N N 68 123.884 120.799 3.085 1
1 901 . 20 1 1 A 69 69 ALA H H 69 7.810 7.807 0.003 1
1 902 . 20 1 1 A 69 69 ALA HA H 69 3.980 3.781 0.199 1
1 906 . 20 1 1 A 69 69 ALA C C 69 178.673 178.645 0.028 1
1 907 . 20 1 1 A 69 69 ALA CA C 69 54.755 54.835 -0.080 1
1 908 . 20 1 1 A 69 69 ALA CB C 69 17.253 18.260 -1.007 1
1 909 . 20 1 1 A 69 69 ALA N N 69 121.733 121.369 0.364 1
1 910 . 20 1 1 A 70 70 GLU H H 70 7.091 7.654 -0.563 1
1 911 . 20 1 1 A 70 70 GLU HA H 70 3.848 4.097 -0.249 1
1 916 . 20 1 1 A 70 70 GLU C C 70 178.018 177.331 0.687 1
1 917 . 20 1 1 A 70 70 GLU CA C 70 58.566 57.840 0.726 1
1 918 . 20 1 1 A 70 70 GLU CB C 70 30.609 30.176 0.433 1
1 920 . 20 1 1 A 70 70 GLU N N 70 115.850 116.800 -0.950 1
1 921 . 20 1 1 A 71 71 TYR H H 71 8.270 7.629 0.641 1
1 922 . 20 1 1 A 71 71 TYR HA H 71 4.537 4.460 0.077 1
1 929 . 20 1 1 A 71 71 TYR C C 71 177.174 176.012 1.162 1
1 930 . 20 1 1 A 71 71 TYR CA C 71 57.796 57.908 -0.112 1
1 931 . 20 1 1 A 71 71 TYR CB C 71 40.219 38.475 1.744 1
1 936 . 20 1 1 A 71 71 TYR N N 71 114.509 114.953 -0.444 1
1 937 . 20 1 1 A 72 72 GLY H H 72 8.417 8.168 0.249 1
1 938 . 20 1 1 A 72 72 GLY HA2 H 72 3.720 3.159 0.561 1
1 939 . 20 1 1 A 72 72 GLY HA3 H 72 2.255 3.582 -1.327 1
1 940 . 20 1 1 A 72 72 GLY C C 72 172.111 174.638 -2.527 1
1 941 . 20 1 1 A 72 72 GLY CA C 72 43.439 44.648 -1.209 1
1 942 . 20 1 1 A 72 72 GLY N N 72 111.509 108.418 3.091 1
1 943 . 20 1 1 A 73 73 PRO HA H 73 2.587 3.138 -0.551 1
1 950 . 20 1 1 A 73 73 PRO C C 73 175.393 175.075 0.318 1
1 951 . 20 1 1 A 73 73 PRO CA C 73 62.018 63.002 -0.984 1
1 952 . 20 1 1 A 73 73 PRO CB C 73 28.033 31.085 -3.052 1
1 955 . 20 1 1 A 74 74 LYS H H 74 8.065 8.418 -0.353 1
1 956 . 20 1 1 A 74 74 LYS HA H 74 4.259 4.312 -0.053 1
1 965 . 20 1 1 A 74 74 LYS C C 74 177.220 176.265 0.955 1
1 966 . 20 1 1 A 74 74 LYS CA C 74 52.641 54.589 -1.948 1
1 967 . 20 1 1 A 74 74 LYS CB C 74 30.145 30.189 -0.044 1
1 971 . 20 1 1 A 74 74 LYS N N 74 125.996 118.910 7.086 1
1 972 . 20 1 1 A 75 75 TRP H H 75 6.735 7.053 -0.318 1
1 973 . 20 1 1 A 75 75 TRP HA H 75 4.305 4.449 -0.144 1
1 982 . 20 1 1 A 75 75 TRP C C 75 177.174 177.732 -0.558 1
1 983 . 20 1 1 A 75 75 TRP CA C 75 58.969 60.081 -1.112 1
1 984 . 20 1 1 A 75 75 TRP CB C 75 29.668 28.421 1.247 1
1 990 . 20 1 1 A 75 75 TRP N N 75 122.056 121.873 0.183 1
1 992 . 20 1 1 A 76 76 ASN H H 76 8.732 8.631 0.101 1
1 993 . 20 1 1 A 76 76 ASN HA H 76 4.606 4.509 0.097 1
1 998 . 20 1 1 A 76 76 ASN C C 76 177.830 178.094 -0.264 1
1 999 . 20 1 1 A 76 76 ASN CA C 76 55.925 55.951 -0.026 1
1 1000 . 20 1 1 A 76 76 ASN CB C 76 37.876 37.558 0.318 1
1 1001 . 20 1 1 A 76 76 ASN N N 76 114.266 117.610 -3.344 1
1 1003 . 20 1 1 A 77 77 LYS H H 77 7.401 7.682 -0.281 1
1 1004 . 20 1 1 A 77 77 LYS HA H 77 3.979 4.046 -0.067 1
1 1013 . 20 1 1 A 77 77 LYS C C 77 178.859 179.331 -0.472 1
1 1014 . 20 1 1 A 77 77 LYS CA C 77 57.800 58.703 -0.903 1
1 1015 . 20 1 1 A 77 77 LYS CB C 77 31.545 32.045 -0.500 1
1 1019 . 20 1 1 A 77 77 LYS N N 77 120.857 118.690 2.167 1
1 1020 . 20 1 1 A 78 78 ILE H H 78 7.754 7.739 0.015 1
1 1021 . 20 1 1 A 78 78 ILE HA H 78 3.679 3.811 -0.132 1
1 1031 . 20 1 1 A 78 78 ILE C C 78 178.202 178.107 0.095 1
1 1032 . 20 1 1 A 78 78 ILE CA C 78 65.997 64.949 1.048 1
1 1033 . 20 1 1 A 78 78 ILE CB C 78 38.343 37.628 0.715 1
1 1037 . 20 1 1 A 78 78 ILE N N 78 118.290 121.308 -3.018 1
1 1038 . 20 1 1 A 79 79 SER H H 79 8.386 8.318 0.068 1
1 1039 . 20 1 1 A 79 79 SER HA H 79 4.049 4.258 -0.209 1
1 1042 . 20 1 1 A 79 79 SER C C 79 175.627 176.300 -0.673 1
1 1043 . 20 1 1 A 79 79 SER CA C 79 61.084 61.535 -0.451 1
1 1044 . 20 1 1 A 79 79 SER CB C 79 62.720 62.626 0.094 1
1 1045 . 20 1 1 A 79 79 SER N N 79 114.363 115.653 -1.290 1
1 1046 . 20 1 1 A 80 80 LYS H H 80 7.017 8.616 -1.599 1
1 1047 . 20 1 1 A 80 80 LYS HA H 80 4.005 4.121 -0.116 1
1 1056 . 20 1 1 A 80 80 LYS C C 80 177.361 177.651 -0.290 1
1 1057 . 20 1 1 A 80 80 LYS CA C 80 57.098 58.472 -1.374 1
1 1058 . 20 1 1 A 80 80 LYS CB C 80 31.083 31.839 -0.756 1
1 1062 . 20 1 1 A 80 80 LYS N N 80 118.534 121.448 -2.914 1
1 1063 . 20 1 1 A 81 81 PHE H H 81 7.932 8.437 -0.505 1
1 1064 . 20 1 1 A 81 81 PHE HA H 81 4.467 4.404 0.063 1
1 1071 . 20 1 1 A 81 81 PHE C C 81 174.969 177.206 -2.237 1
1 1072 . 20 1 1 A 81 81 PHE CA C 81 58.500 60.595 -2.095 1
1 1073 . 20 1 1 A 81 81 PHE CB C 81 39.516 38.155 1.361 1
1 1078 . 20 1 1 A 81 81 PHE N N 81 114.880 117.645 -2.765 1
1 1079 . 20 1 1 A 82 82 LEU H H 82 7.487 7.679 -0.192 1
1 1080 . 20 1 1 A 82 82 LEU HA H 82 4.666 4.305 0.361 1
1 1090 . 20 1 1 A 82 82 LEU C C 82 175.107 176.695 -1.588 1
1 1091 . 20 1 1 A 82 82 LEU CA C 82 52.875 56.436 -3.561 1
1 1092 . 20 1 1 A 82 82 LEU CB C 82 42.802 42.138 0.664 1
1 1096 . 20 1 1 A 82 82 LEU N N 82 122.945 118.644 4.301 1
1 1097 . 20 1 1 A 83 83 LYS H H 83 8.256 8.247 0.009 1
1 1098 . 20 1 1 A 83 83 LYS HA H 83 4.120 3.999 0.121 1
1 1107 . 20 1 1 A 83 83 LYS C C 83 176.236 176.261 -0.025 1
1 1108 . 20 1 1 A 83 83 LYS CA C 83 56.630 57.694 -1.064 1
1 1109 . 20 1 1 A 83 83 LYS CB C 83 31.786 29.515 2.271 1
1 1113 . 20 1 1 A 83 83 LYS N N 83 118.856 116.121 2.735 1
1 1114 . 20 1 1 A 84 84 ASN H H 84 8.684 8.232 0.452 1
1 1115 . 20 1 1 A 84 84 ASN HA H 84 4.304 4.838 -0.534 1
1 1120 . 20 1 1 A 84 84 ASN C C 84 173.846 175.048 -1.202 1
1 1121 . 20 1 1 A 84 84 ASN CA C 84 53.816 53.425 0.391 1
1 1122 . 20 1 1 A 84 84 ASN CB C 84 37.176 40.552 -3.376 1
1 1123 . 20 1 1 A 84 84 ASN N N 84 116.099 114.657 1.442 1
1 1125 . 20 1 1 A 85 85 ARG H H 85 7.665 7.739 -0.074 1
1 1126 . 20 1 1 A 85 85 ARG HA H 85 4.675 4.774 -0.099 1
1 1132 . 20 1 1 A 85 85 ARG C C 85 175.529 175.054 0.475 1
1 1133 . 20 1 1 A 85 85 ARG CA C 85 53.112 54.143 -1.031 1
1 1134 . 20 1 1 A 85 85 ARG CB C 85 31.783 33.261 -1.478 1
1 1137 . 20 1 1 A 85 85 ARG N N 85 116.162 118.141 -1.979 1
1 1139 . 20 1 1 A 86 86 SER H H 86 8.864 8.269 0.595 1
1 1140 . 20 1 1 A 86 86 SER HA H 86 4.488 5.039 -0.551 1
1 1143 . 20 1 1 A 86 86 SER C C 86 174.407 175.157 -0.750 1
1 1144 . 20 1 1 A 86 86 SER CA C 86 57.093 55.809 1.284 1
1 1145 . 20 1 1 A 86 86 SER CB C 86 64.840 66.494 -1.654 1
1 1146 . 20 1 1 A 86 86 SER N N 86 119.204 112.126 7.078 1
1 1147 . 20 1 1 A 87 87 ASP H H 87 8.784 8.841 -0.057 1
1 1148 . 20 1 1 A 87 87 ASP HA H 87 4.095 4.404 -0.309 1
1 1151 . 20 1 1 A 87 87 ASP C C 87 178.111 178.598 -0.487 1
1 1152 . 20 1 1 A 87 87 ASP CA C 87 57.801 56.867 0.934 1
1 1153 . 20 1 1 A 87 87 ASP CB C 87 39.056 39.902 -0.846 1
1 1154 . 20 1 1 A 87 87 ASP N N 87 121.415 121.730 -0.315 1
1 1155 . 20 1 1 A 88 88 ASN H H 88 8.491 8.126 0.365 1
1 1156 . 20 1 1 A 88 88 ASN HA H 88 4.166 4.365 -0.199 1
1 1161 . 20 1 1 A 88 88 ASN C C 88 176.842 177.257 -0.415 1
1 1162 . 20 1 1 A 88 88 ASN CA C 88 55.458 55.967 -0.509 1
1 1163 . 20 1 1 A 88 88 ASN CB C 88 38.103 38.491 -0.388 1
1 1164 . 20 1 1 A 88 88 ASN N N 88 115.811 118.550 -2.739 1
1 1166 . 20 1 1 A 89 89 ASN H H 89 7.959 7.913 0.046 1
1 1167 . 20 1 1 A 89 89 ASN HA H 89 4.422 4.506 -0.084 1
1 1172 . 20 1 1 A 89 89 ASN C C 89 178.159 177.731 0.428 1
1 1173 . 20 1 1 A 89 89 ASN CA C 89 56.632 55.880 0.752 1
1 1174 . 20 1 1 A 89 89 ASN CB C 89 39.749 38.928 0.821 1
1 1175 . 20 1 1 A 89 89 ASN N N 89 120.679 117.850 2.829 1
1 1177 . 20 1 1 A 90 90 ILE H H 90 8.373 8.568 -0.195 1
1 1178 . 20 1 1 A 90 90 ILE HA H 90 3.840 3.940 -0.100 1
1 1188 . 20 1 1 A 90 90 ILE C C 90 176.191 177.775 -1.584 1
1 1189 . 20 1 1 A 90 90 ILE CA C 90 65.298 65.004 0.294 1
1 1190 . 20 1 1 A 90 90 ILE CB C 90 38.109 37.831 0.278 1
1 1194 . 20 1 1 A 90 90 ILE N N 90 120.840 119.681 1.159 1
1 1195 . 20 1 1 A 91 91 ARG H H 91 7.749 8.066 -0.317 1
1 1196 . 20 1 1 A 91 91 ARG HA H 91 2.077 3.010 -0.933 1
1 1203 . 20 1 1 A 91 91 ARG C C 91 178.063 178.098 -0.035 1
1 1204 . 20 1 1 A 91 91 ARG CA C 91 58.500 59.046 -0.546 1
1 1205 . 20 1 1 A 91 91 ARG CB C 91 28.969 29.915 -0.946 1
1 1208 . 20 1 1 A 91 91 ARG N N 91 120.230 120.478 -0.248 1
1 1209 . 20 1 1 A 92 92 ASN H H 92 7.959 7.992 -0.033 1
1 1210 . 20 1 1 A 92 92 ASN HA H 92 4.167 4.399 -0.232 1
1 1215 . 20 1 1 A 92 92 ASN C C 92 177.689 177.752 -0.063 1
1 1216 . 20 1 1 A 92 92 ASN CA C 92 55.640 56.119 -0.479 1
1 1217 . 20 1 1 A 92 92 ASN CB C 92 37.644 38.701 -1.057 1
1 1218 . 20 1 1 A 92 92 ASN N N 92 115.405 117.721 -2.316 1
1 1220 . 20 1 1 A 93 93 ARG H H 93 7.872 8.555 -0.683 1
1 1221 . 20 1 1 A 93 93 ARG HA H 93 3.610 3.801 -0.191 1
1 1229 . 20 1 1 A 93 93 ARG C C 93 177.737 179.159 -1.422 1
1 1230 . 20 1 1 A 93 93 ARG CA C 93 57.263 59.404 -2.141 1
1 1231 . 20 1 1 A 93 93 ARG CB C 93 29.141 29.635 -0.494 1
1 1234 . 20 1 1 A 93 93 ARG N N 93 122.360 118.240 4.120 1
1 1236 . 20 1 1 A 94 94 TRP H H 94 8.411 8.805 -0.394 1
1 1237 . 20 1 1 A 94 94 TRP HA H 94 3.818 4.209 -0.391 1
1 1241 . 20 1 1 A 94 94 TRP N N 94 119.510 122.000 -2.490 1
1 1243 . 20 1 1 A 95 95 MET HA H 95 3.725 4.089 -0.364 1
1 1246 . 20 1 1 A 95 95 MET C C 95 178.580 178.300 0.280 1
1 1247 . 20 1 1 A 95 95 MET CA C 95 57.807 58.283 -0.476 1
1 1248 . 20 1 1 A 95 95 MET CB C 95 32.023 32.231 -0.208 1
1 1249 . 20 1 1 A 96 96 MET H H 96 7.580 7.547 0.033 1
1 1250 . 20 1 1 A 96 96 MET HA H 96 3.980 4.196 -0.216 1
1 1255 . 20 1 1 A 96 96 MET C C 96 178.344 178.090 0.254 1
1 1256 . 20 1 1 A 96 96 MET CA C 96 58.033 57.742 0.291 1
1 1257 . 20 1 1 A 96 96 MET CB C 96 31.783 32.324 -0.541 1
1 1259 . 20 1 1 A 96 96 MET N N 96 118.340 118.788 -0.448 1
1 1260 . 20 1 1 A 97 97 ILE H H 97 7.884 8.246 -0.362 1
1 1261 . 20 1 1 A 97 97 ILE HA H 97 3.583 4.011 -0.428 1
1 1271 . 20 1 1 A 97 97 ILE C C 97 178.154 177.816 0.338 1
1 1272 . 20 1 1 A 97 97 ILE CA C 97 63.656 63.903 -0.247 1
1 1273 . 20 1 1 A 97 97 ILE CB C 97 37.637 36.784 0.853 1
1 1277 . 20 1 1 A 97 97 ILE N N 97 120.158 118.414 1.744 1
1 1278 . 20 1 1 A 98 98 ALA H H 98 8.064 8.230 -0.166 1
1 1279 . 20 1 1 A 98 98 ALA HA H 98 3.515 3.738 -0.223 1
1 1283 . 20 1 1 A 98 98 ALA C C 98 180.224 179.819 0.405 1
1 1284 . 20 1 1 A 98 98 ALA CA C 98 54.283 54.303 -0.020 1
1 1285 . 20 1 1 A 98 98 ALA CB C 98 17.251 17.970 -0.719 1
1 1286 . 20 1 1 A 98 98 ALA N N 98 123.446 122.642 0.804 1
1 1287 . 20 1 1 A 99 99 ARG H H 99 7.623 7.762 -0.139 1
1 1288 . 20 1 1 A 99 99 ARG HA H 99 3.934 3.959 -0.025 1
1 1295 . 20 1 1 A 99 99 ARG C C 99 177.923 178.437 -0.514 1
1 1296 . 20 1 1 A 99 99 ARG CA C 99 57.968 58.465 -0.497 1
1 1297 . 20 1 1 A 99 99 ARG CB C 99 29.606 29.571 0.035 1
1 1300 . 20 1 1 A 99 99 ARG N N 99 117.538 118.950 -1.412 1
1 1301 . 20 1 1 A 100 100 HIS H H 100 7.797 7.276 0.521 1
1 1302 . 20 1 1 A 100 100 HIS HA H 100 4.409 4.385 0.024 1
1 1307 . 20 1 1 A 100 100 HIS C C 100 176.575 177.366 -0.791 1
1 1308 . 20 1 1 A 100 100 HIS CA C 100 57.109 59.120 -2.011 1
1 1309 . 20 1 1 A 100 100 HIS CB C 100 29.204 30.306 -1.102 1
1 1312 . 20 1 1 A 100 100 HIS N N 100 118.311 117.213 1.098 1
1 1313 . 20 1 1 A 101 101 ARG H H 101 8.057 7.834 0.223 1
1 1314 . 20 1 1 A 101 101 ARG HA H 101 4.062 4.048 0.014 1
1 1321 . 20 1 1 A 101 101 ARG C C 101 177.220 178.693 -1.473 1
1 1322 . 20 1 1 A 101 101 ARG CA C 101 57.556 59.091 -1.535 1
1 1323 . 20 1 1 A 101 101 ARG CB C 101 30.157 29.646 0.511 1
1 1326 . 20 1 1 A 101 101 ARG N N 101 119.935 120.232 -0.297 1
1 1327 . 20 1 1 A 102 102 ALA H H 102 7.917 7.703 0.214 1
1 1328 . 20 1 1 A 102 102 ALA HA H 102 4.167 4.200 -0.033 1
1 1332 . 20 1 1 A 102 102 ALA C C 102 178.532 179.232 -0.700 1
1 1333 . 20 1 1 A 102 102 ALA CA C 102 53.103 54.811 -1.708 1
1 1334 . 20 1 1 A 102 102 ALA CB C 102 18.447 18.227 0.220 1
1 1335 . 20 1 1 A 102 102 ALA N N 102 122.678 122.629 0.049 1
1 1336 . 20 1 1 A 103 103 LYS H H 103 7.884 7.561 0.323 1
1 1337 . 20 1 1 A 103 103 LYS HA H 103 4.121 4.294 -0.173 1
1 1346 . 20 1 1 A 103 103 LYS C C 103 177.080 175.491 1.589 1
1 1347 . 20 1 1 A 103 103 LYS CA C 103 56.856 55.716 1.140 1
1 1348 . 20 1 1 A 103 103 LYS CB C 103 32.480 31.974 0.506 1
1 1352 . 20 1 1 A 103 103 LYS N N 103 118.773 115.421 3.352 1
1 1353 . 20 1 1 A 104 104 HIS H H 104 8.118 8.390 -0.272 1
1 1354 . 20 1 1 A 104 104 HIS HA H 104 4.560 4.140 0.420 1
1 1359 . 20 1 1 A 104 104 HIS C C 104 175.204 175.321 -0.117 1
1 1360 . 20 1 1 A 104 104 HIS CA C 104 55.932 57.085 -1.153 1
1 1361 . 20 1 1 A 104 104 HIS CB C 104 29.448 26.771 2.677 1
1 1364 . 20 1 1 A 104 104 HIS N N 104 118.685 114.376 4.309 1
1 1365 . 20 1 1 A 105 105 GLN H H 105 8.233 7.948 0.285 1
1 1366 . 20 1 1 A 105 105 GLN HA H 105 4.218 4.047 0.171 1
1 1373 . 20 1 1 A 105 105 GLN C C 105 176.172 178.178 -2.006 1
1 1374 . 20 1 1 A 105 105 GLN CA C 105 56.130 58.834 -2.704 1
1 1375 . 20 1 1 A 105 105 GLN CB C 105 28.976 28.815 0.161 1
1 1377 . 20 1 1 A 105 105 GLN N N 105 121.104 118.426 2.678 1
1 1379 . 20 1 1 A 106 106 LYS H H 106 8.346 8.099 0.247 1
1 1380 . 20 1 1 A 106 106 LYS HA H 106 4.239 4.087 0.152 1
1 1389 . 20 1 1 A 106 106 LYS C C 106 177.022 178.903 -1.881 1
1 1390 . 20 1 1 A 106 106 LYS CA C 106 56.647 58.392 -1.745 1
1 1391 . 20 1 1 A 106 106 LYS CB C 106 32.481 32.014 0.467 1
1 1395 . 20 1 1 A 106 106 LYS N N 106 122.274 118.726 3.548 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 104 1.081 1
2 1 1 1 "RMS(OBS, PRED)" CA 103 1.460 1
3 1 1 1 "RMS(OBS, PRED)" CB 101 1.141 1
4 1 1 1 "RMS(OBS, PRED)" H 98 0.529 1
5 1 1 1 "RMS(OBS, PRED)" HA 107 0.319 1
6 1 1 1 "RMS(OBS, PRED)" N 98 2.861 1
7 1 2 1 "RMS(OBS, PRED)" C 104 1.069 1
8 1 2 1 "RMS(OBS, PRED)" CA 103 1.492 1
9 1 2 1 "RMS(OBS, PRED)" CB 101 1.136 1
10 1 2 1 "RMS(OBS, PRED)" H 98 0.511 1
11 1 2 1 "RMS(OBS, PRED)" HA 107 0.319 1
12 1 2 1 "RMS(OBS, PRED)" N 98 3.020 1
13 1 3 1 "RMS(OBS, PRED)" C 104 1.120 1
14 1 3 1 "RMS(OBS, PRED)" CA 103 1.504 1
15 1 3 1 "RMS(OBS, PRED)" CB 101 1.152 1
16 1 3 1 "RMS(OBS, PRED)" H 98 0.516 1
17 1 3 1 "RMS(OBS, PRED)" HA 107 0.305 1
18 1 3 1 "RMS(OBS, PRED)" N 98 2.851 1
19 1 4 1 "RMS(OBS, PRED)" C 104 1.094 1
20 1 4 1 "RMS(OBS, PRED)" CA 103 1.484 1
21 1 4 1 "RMS(OBS, PRED)" CB 101 1.102 1
22 1 4 1 "RMS(OBS, PRED)" H 98 0.503 1
23 1 4 1 "RMS(OBS, PRED)" HA 107 0.318 1
24 1 4 1 "RMS(OBS, PRED)" N 98 2.797 1
25 1 5 1 "RMS(OBS, PRED)" C 104 1.076 1
26 1 5 1 "RMS(OBS, PRED)" CA 103 1.460 1
27 1 5 1 "RMS(OBS, PRED)" CB 101 1.072 1
28 1 5 1 "RMS(OBS, PRED)" H 98 0.562 1
29 1 5 1 "RMS(OBS, PRED)" HA 107 0.299 1
30 1 5 1 "RMS(OBS, PRED)" N 98 2.870 1
31 1 6 1 "RMS(OBS, PRED)" C 104 1.144 1
32 1 6 1 "RMS(OBS, PRED)" CA 103 1.518 1
33 1 6 1 "RMS(OBS, PRED)" CB 101 1.078 1
34 1 6 1 "RMS(OBS, PRED)" H 98 0.529 1
35 1 6 1 "RMS(OBS, PRED)" HA 107 0.305 1
36 1 6 1 "RMS(OBS, PRED)" N 98 2.821 1
37 1 7 1 "RMS(OBS, PRED)" C 104 1.064 1
38 1 7 1 "RMS(OBS, PRED)" CA 103 1.479 1
39 1 7 1 "RMS(OBS, PRED)" CB 101 1.106 1
40 1 7 1 "RMS(OBS, PRED)" H 98 0.499 1
41 1 7 1 "RMS(OBS, PRED)" HA 107 0.325 1
42 1 7 1 "RMS(OBS, PRED)" N 98 3.024 1
43 1 8 1 "RMS(OBS, PRED)" C 104 1.105 1
44 1 8 1 "RMS(OBS, PRED)" CA 103 1.535 1
45 1 8 1 "RMS(OBS, PRED)" CB 101 1.050 1
46 1 8 1 "RMS(OBS, PRED)" H 98 0.531 1
47 1 8 1 "RMS(OBS, PRED)" HA 107 0.318 1
48 1 8 1 "RMS(OBS, PRED)" N 98 2.704 1
49 1 9 1 "RMS(OBS, PRED)" C 104 1.114 1
50 1 9 1 "RMS(OBS, PRED)" CA 103 1.518 1
51 1 9 1 "RMS(OBS, PRED)" CB 101 1.105 1
52 1 9 1 "RMS(OBS, PRED)" H 98 0.534 1
53 1 9 1 "RMS(OBS, PRED)" HA 107 0.308 1
54 1 9 1 "RMS(OBS, PRED)" N 98 2.869 1
55 1 10 1 "RMS(OBS, PRED)" C 104 1.089 1
56 1 10 1 "RMS(OBS, PRED)" CA 103 1.540 1
57 1 10 1 "RMS(OBS, PRED)" CB 101 1.131 1
58 1 10 1 "RMS(OBS, PRED)" H 98 0.556 1
59 1 10 1 "RMS(OBS, PRED)" HA 107 0.293 1
60 1 10 1 "RMS(OBS, PRED)" N 98 2.958 1
61 1 11 1 "RMS(OBS, PRED)" C 104 1.092 1
62 1 11 1 "RMS(OBS, PRED)" CA 103 1.595 1
63 1 11 1 "RMS(OBS, PRED)" CB 101 1.093 1
64 1 11 1 "RMS(OBS, PRED)" H 98 0.576 1
65 1 11 1 "RMS(OBS, PRED)" HA 107 0.281 1
66 1 11 1 "RMS(OBS, PRED)" N 98 2.891 1
67 1 12 1 "RMS(OBS, PRED)" C 104 1.156 1
68 1 12 1 "RMS(OBS, PRED)" CA 103 1.558 1
69 1 12 1 "RMS(OBS, PRED)" CB 101 1.097 1
70 1 12 1 "RMS(OBS, PRED)" H 98 0.506 1
71 1 12 1 "RMS(OBS, PRED)" HA 107 0.329 1
72 1 12 1 "RMS(OBS, PRED)" N 98 2.990 1
73 1 13 1 "RMS(OBS, PRED)" C 104 1.133 1
74 1 13 1 "RMS(OBS, PRED)" CA 103 1.480 1
75 1 13 1 "RMS(OBS, PRED)" CB 101 1.042 1
76 1 13 1 "RMS(OBS, PRED)" H 98 0.513 1
77 1 13 1 "RMS(OBS, PRED)" HA 107 0.322 1
78 1 13 1 "RMS(OBS, PRED)" N 98 2.816 1
79 1 14 1 "RMS(OBS, PRED)" C 104 1.075 1
80 1 14 1 "RMS(OBS, PRED)" CA 103 1.495 1
81 1 14 1 "RMS(OBS, PRED)" CB 101 1.100 1
82 1 14 1 "RMS(OBS, PRED)" H 98 0.554 1
83 1 14 1 "RMS(OBS, PRED)" HA 107 0.295 1
84 1 14 1 "RMS(OBS, PRED)" N 98 2.944 1
85 1 15 1 "RMS(OBS, PRED)" C 104 1.119 1
86 1 15 1 "RMS(OBS, PRED)" CA 103 1.450 1
87 1 15 1 "RMS(OBS, PRED)" CB 101 1.068 1
88 1 15 1 "RMS(OBS, PRED)" H 98 0.534 1
89 1 15 1 "RMS(OBS, PRED)" HA 107 0.316 1
90 1 15 1 "RMS(OBS, PRED)" N 98 2.937 1
91 1 16 1 "RMS(OBS, PRED)" C 104 1.116 1
92 1 16 1 "RMS(OBS, PRED)" CA 103 1.578 1
93 1 16 1 "RMS(OBS, PRED)" CB 101 1.191 1
94 1 16 1 "RMS(OBS, PRED)" H 98 0.518 1
95 1 16 1 "RMS(OBS, PRED)" HA 107 0.304 1
96 1 16 1 "RMS(OBS, PRED)" N 98 2.849 1
97 1 17 1 "RMS(OBS, PRED)" C 104 1.106 1
98 1 17 1 "RMS(OBS, PRED)" CA 103 1.561 1
99 1 17 1 "RMS(OBS, PRED)" CB 101 1.160 1
100 1 17 1 "RMS(OBS, PRED)" H 98 0.506 1
101 1 17 1 "RMS(OBS, PRED)" HA 107 0.300 1
102 1 17 1 "RMS(OBS, PRED)" N 98 2.763 1
103 1 18 1 "RMS(OBS, PRED)" C 104 1.068 1
104 1 18 1 "RMS(OBS, PRED)" CA 103 1.501 1
105 1 18 1 "RMS(OBS, PRED)" CB 101 1.063 1
106 1 18 1 "RMS(OBS, PRED)" H 98 0.540 1
107 1 18 1 "RMS(OBS, PRED)" HA 107 0.299 1
108 1 18 1 "RMS(OBS, PRED)" N 98 2.902 1
109 1 19 1 "RMS(OBS, PRED)" C 104 1.050 1
110 1 19 1 "RMS(OBS, PRED)" CA 103 1.519 1
111 1 19 1 "RMS(OBS, PRED)" CB 101 1.067 1
112 1 19 1 "RMS(OBS, PRED)" H 98 0.532 1
113 1 19 1 "RMS(OBS, PRED)" HA 107 0.316 1
114 1 19 1 "RMS(OBS, PRED)" N 98 2.868 1
115 1 20 1 "RMS(OBS, PRED)" C 104 1.065 1
116 1 20 1 "RMS(OBS, PRED)" CA 103 1.499 1
117 1 20 1 "RMS(OBS, PRED)" CB 101 1.121 1
118 1 20 1 "RMS(OBS, PRED)" H 98 0.531 1
119 1 20 1 "RMS(OBS, PRED)" HA 107 0.329 1
120 1 20 1 "RMS(OBS, PRED)" N 98 2.780 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 16 . 1 1 A 2 2 VAL H H 2 8.319 8.411 -0.092 2
1 17 . 1 1 A 2 2 VAL HA H 2 4.096 4.121 -0.025 2
1 25 . 1 1 A 2 2 VAL C C 2 176.167 176.911 -0.744 2
1 26 . 1 1 A 2 2 VAL CA C 2 67.781 61.335 6.446 2
1 27 . 1 1 A 2 2 VAL CB C 2 32.484 32.390 0.094 2
1 30 . 1 1 A 2 2 VAL N N 2 122.596 122.372 0.224 2
1 31 . 1 1 A 3 3 LYS H H 3 8.470 8.532 -0.062 2
1 32 . 1 1 A 3 3 LYS HA H 3 4.327 3.935 0.392 2
1 41 . 1 1 A 3 3 LYS C C 3 176.713 176.940 -0.227 2
1 42 . 1 1 A 3 3 LYS CA C 3 56.391 59.546 -3.155 2
1 43 . 1 1 A 3 3 LYS CB C 3 32.723 32.351 0.372 2
1 47 . 1 1 A 3 3 LYS N N 3 127.359 124.287 3.072 2
1 48 . 1 1 A 4 4 PHE H H 4 8.471 7.191 1.280 2
1 49 . 1 1 A 4 4 PHE HA H 4 4.491 4.588 -0.097 2
1 57 . 1 1 A 4 4 PHE C C 4 177.923 175.277 2.646 2
1 58 . 1 1 A 4 4 PHE CA C 4 57.566 56.243 1.323 2
1 59 . 1 1 A 4 4 PHE CB C 4 39.751 40.127 -0.376 2
1 65 . 1 1 A 4 4 PHE N N 4 125.570 116.931 8.639 2
1 66 . 1 1 A 5 5 THR H H 5 8.880 8.468 0.412 2
1 67 . 1 1 A 5 5 THR HA H 5 4.490 4.656 -0.166 2
1 72 . 1 1 A 5 5 THR C C 5 175.297 175.907 -0.610 2
1 73 . 1 1 A 5 5 THR CA C 5 60.140 60.658 -0.518 2
1 74 . 1 1 A 5 5 THR CB C 5 70.922 70.337 0.585 2
1 76 . 1 1 A 5 5 THR N N 5 114.601 115.250 -0.649 2
1 77 . 1 1 A 6 6 GLU H H 6 9.000 9.121 -0.121 2
1 78 . 1 1 A 6 6 GLU HA H 6 4.142 4.135 0.008 2
1 83 . 1 1 A 6 6 GLU C C 6 179.326 178.494 0.832 2
1 84 . 1 1 A 6 6 GLU CA C 6 59.675 59.843 -0.168 2
1 85 . 1 1 A 6 6 GLU CB C 6 29.203 29.270 -0.067 2
1 87 . 1 1 A 6 6 GLU N N 6 121.577 126.255 -4.678 2
1 88 . 1 1 A 7 7 GLU H H 7 8.658 8.322 0.336 2
1 89 . 1 1 A 7 7 GLU HA H 7 4.026 4.006 0.020 2
1 94 . 1 1 A 7 7 GLU C C 7 179.616 179.239 0.376 2
1 95 . 1 1 A 7 7 GLU CA C 7 59.683 59.506 0.177 2
1 96 . 1 1 A 7 7 GLU CB C 7 28.972 29.260 -0.288 2
1 98 . 1 1 A 7 7 GLU N N 7 118.231 119.846 -1.615 2
1 99 . 1 1 A 8 8 GLU H H 8 7.930 8.265 -0.335 2
1 100 . 1 1 A 8 8 GLU HA H 8 3.955 4.078 -0.123 2
1 105 . 1 1 A 8 8 GLU C C 8 178.395 178.427 -0.032 2
1 106 . 1 1 A 8 8 GLU CA C 8 59.672 59.349 0.323 2
1 107 . 1 1 A 8 8 GLU CB C 8 31.318 29.453 1.865 2
1 109 . 1 1 A 8 8 GLU N N 8 121.169 120.023 1.146 2
1 110 . 1 1 A 9 9 ASP H H 9 8.507 8.075 0.433 2
1 111 . 1 1 A 9 9 ASP HA H 9 4.677 4.243 0.434 2
1 114 . 1 1 A 9 9 ASP C C 9 179.329 177.912 1.417 2
1 115 . 1 1 A 9 9 ASP CA C 9 57.562 56.970 0.592 2
1 116 . 1 1 A 9 9 ASP CB C 9 40.217 41.458 -1.241 2
1 117 . 1 1 A 9 9 ASP N N 9 121.164 120.140 1.024 2
1 118 . 1 1 A 10 10 LEU H H 10 8.042 7.652 0.390 2
1 119 . 1 1 A 10 10 LEU HA H 10 4.143 4.050 0.093 2
1 129 . 1 1 A 10 10 LEU C C 10 179.329 179.067 0.262 2
1 130 . 1 1 A 10 10 LEU CA C 10 57.796 57.412 0.384 2
1 131 . 1 1 A 10 10 LEU CB C 10 41.392 41.196 0.196 2
1 135 . 1 1 A 10 10 LEU N N 10 120.628 119.538 1.090 2
1 136 . 1 1 A 11 11 LYS H H 11 8.040 8.378 -0.338 2
1 137 . 1 1 A 11 11 LYS HA H 11 4.049 3.998 0.051 2
1 146 . 1 1 A 11 11 LYS C C 11 178.345 179.033 -0.688 2
1 147 . 1 1 A 11 11 LYS CA C 11 59.199 59.718 -0.519 2
1 148 . 1 1 A 11 11 LYS CB C 11 32.488 32.151 0.337 2
1 152 . 1 1 A 11 11 LYS N N 11 121.016 119.220 1.796 2
1 153 . 1 1 A 12 12 LEU H H 12 8.865 8.099 0.766 2
1 154 . 1 1 A 12 12 LEU HA H 12 4.258 3.984 0.274 2
1 164 . 1 1 A 12 12 LEU C C 12 178.298 179.048 -0.750 2
1 165 . 1 1 A 12 12 LEU CA C 12 58.500 57.905 0.595 2
1 166 . 1 1 A 12 12 LEU CB C 12 41.389 41.390 -0.001 2
1 169 . 1 1 A 12 12 LEU N N 12 120.138 120.136 0.002 2
1 170 . 1 1 A 13 13 GLN H H 13 8.400 7.798 0.602 2
1 171 . 1 1 A 13 13 GLN HA H 13 4.097 4.055 0.042 2
1 178 . 1 1 A 13 13 GLN C C 13 178.254 177.945 0.309 2
1 179 . 1 1 A 13 13 GLN CA C 13 59.693 59.299 0.394 2
1 180 . 1 1 A 13 13 GLN CB C 13 28.733 28.381 0.352 2
1 182 . 1 1 A 13 13 GLN N N 13 117.136 118.327 -1.191 2
1 184 . 1 1 A 14 14 GLN H H 14 8.175 7.489 0.686 2
1 185 . 1 1 A 14 14 GLN HA H 14 3.980 4.174 -0.194 2
1 192 . 1 1 A 14 14 GLN C C 14 179.518 178.575 0.943 2
1 193 . 1 1 A 14 14 GLN CA C 14 58.745 58.169 0.576 2
1 194 . 1 1 A 14 14 GLN CB C 14 28.034 28.941 -0.907 2
1 196 . 1 1 A 14 14 GLN N N 14 117.947 118.238 -0.291 2
1 198 . 1 1 A 15 15 LEU H H 15 8.721 8.482 0.239 2
1 199 . 1 1 A 15 15 LEU HA H 15 4.143 3.940 0.203 2
1 209 . 1 1 A 15 15 LEU C C 15 178.956 179.078 -0.122 2
1 210 . 1 1 A 15 15 LEU CA C 15 57.562 58.056 -0.494 2
1 211 . 1 1 A 15 15 LEU CB C 15 42.801 42.233 0.568 2
1 215 . 1 1 A 15 15 LEU N N 15 120.641 120.248 0.393 2
1 216 . 1 1 A 16 16 VAL H H 16 8.603 8.446 0.157 2
1 217 . 1 1 A 16 16 VAL HA H 16 3.230 3.362 -0.132 2
1 225 . 1 1 A 16 16 VAL C C 16 179.988 178.000 1.988 2
1 226 . 1 1 A 16 16 VAL CA C 16 65.733 66.905 -1.172 2
1 227 . 1 1 A 16 16 VAL CB C 16 30.609 31.396 -0.787 2
1 230 . 1 1 A 16 16 VAL N N 16 120.873 117.578 3.295 2
1 231 . 1 1 A 17 17 MET H H 17 8.058 8.055 0.003 2
1 232 . 1 1 A 17 17 MET HA H 17 4.050 4.183 -0.133 2
1 237 . 1 1 A 17 17 MET C C 17 177.501 178.368 -0.867 2
1 238 . 1 1 A 17 17 MET CA C 17 58.270 58.186 0.084 2
1 239 . 1 1 A 17 17 MET CB C 17 31.784 32.115 -0.331 2
1 241 . 1 1 A 17 17 MET N N 17 119.240 120.161 -0.921 2
1 242 . 1 1 A 18 18 ARG H H 18 7.406 7.953 -0.547 2
1 243 . 1 1 A 18 18 ARG HA H 18 3.957 3.888 0.069 2
1 250 . 1 1 A 18 18 ARG C C 18 177.691 177.197 0.494 2
1 251 . 1 1 A 18 18 ARG CA C 18 58.301 58.292 0.009 2
1 252 . 1 1 A 18 18 ARG CB C 18 30.842 29.752 1.090 2
1 255 . 1 1 A 18 18 ARG N N 18 117.487 120.465 -2.978 2
1 256 . 1 1 A 19 19 TYR H H 19 8.571 7.392 1.179 2
1 257 . 1 1 A 19 19 TYR HA H 19 4.490 4.487 0.003 2
1 264 . 1 1 A 19 19 TYR C C 19 176.706 175.874 0.832 2
1 265 . 1 1 A 19 19 TYR CA C 19 58.739 57.681 1.058 2
1 266 . 1 1 A 19 19 TYR CB C 19 39.044 38.578 0.466 2
1 271 . 1 1 A 19 19 TYR N N 19 115.284 115.417 -0.133 2
1 272 . 1 1 A 20 20 GLY H H 20 8.148 9.437 -1.289 2
1 273 . 1 1 A 20 20 GLY HA2 H 20 3.609 3.865 -0.256 2
1 274 . 1 1 A 20 20 GLY HA3 H 20 4.137 3.887 0.250 2
1 275 . 1 1 A 20 20 GLY C C 20 171.784 173.713 -1.929 2
1 276 . 1 1 A 20 20 GLY CA C 20 43.972 46.486 -2.514 2
1 277 . 1 1 A 20 20 GLY N N 20 110.830 108.334 2.496 2
1 278 . 1 1 A 21 21 ALA H H 21 7.886 7.556 0.330 2
1 279 . 1 1 A 21 21 ALA HA H 21 3.400 3.928 -0.528 2
1 283 . 1 1 A 21 21 ALA C C 21 176.002 176.911 -0.909 2
1 284 . 1 1 A 21 21 ALA CA C 21 49.825 51.035 -1.210 2
1 285 . 1 1 A 21 21 ALA CB C 21 17.960 18.338 -0.378 2
1 286 . 1 1 A 21 21 ALA N N 21 119.337 122.161 -2.824 2
1 287 . 1 1 A 22 22 LYS H H 22 7.424 7.652 -0.228 2
1 288 . 1 1 A 22 22 LYS HA H 22 4.258 4.595 -0.337 2
1 297 . 1 1 A 22 22 LYS C C 22 175.769 176.140 -0.371 2
1 298 . 1 1 A 22 22 LYS CA C 22 55.921 56.421 -0.500 2
1 299 . 1 1 A 22 22 LYS CB C 22 33.371 34.624 -1.253 2
1 303 . 1 1 A 22 22 LYS N N 22 115.793 114.529 1.264 2
1 304 . 1 1 A 23 23 ASP H H 23 7.724 7.495 0.229 2
1 305 . 1 1 A 23 23 ASP HA H 23 4.700 4.933 -0.233 2
1 308 . 1 1 A 23 23 ASP C C 23 176.142 176.236 -0.094 2
1 309 . 1 1 A 23 23 ASP CA C 23 51.704 52.989 -1.285 2
1 310 . 1 1 A 23 23 ASP CB C 23 39.514 40.705 -1.191 2
1 311 . 1 1 A 23 23 ASP N N 23 119.398 118.723 0.675 2
1 312 . 1 1 A 24 24 TRP H H 24 8.035 7.726 0.309 2
1 313 . 1 1 A 24 24 TRP HA H 24 4.258 4.261 -0.002 2
1 322 . 1 1 A 24 24 TRP C C 24 178.252 178.435 -0.183 2
1 323 . 1 1 A 24 24 TRP CA C 24 58.736 59.741 -1.005 2
1 324 . 1 1 A 24 24 TRP CB C 24 28.970 28.819 0.151 2
1 330 . 1 1 A 24 24 TRP N N 24 123.130 120.455 2.675 2
1 332 . 1 1 A 25 25 ILE H H 25 8.092 7.748 0.344 2
1 333 . 1 1 A 25 25 ILE HA H 25 3.724 3.797 -0.073 2
1 343 . 1 1 A 25 25 ILE C C 25 177.806 177.846 -0.040 2
1 344 . 1 1 A 25 25 ILE CA C 25 65.060 64.728 0.332 2
1 345 . 1 1 A 25 25 ILE CB C 25 36.234 37.370 -1.136 2
1 349 . 1 1 A 25 25 ILE N N 25 121.518 116.032 5.486 2
1 350 . 1 1 A 26 26 ARG H H 26 7.503 7.783 -0.280 2
1 351 . 1 1 A 26 26 ARG HA H 26 3.864 3.956 -0.092 2
1 358 . 1 1 A 26 26 ARG C C 26 178.303 178.419 -0.116 2
1 359 . 1 1 A 26 26 ARG CA C 26 58.267 59.040 -0.773 2
1 360 . 1 1 A 26 26 ARG CB C 26 29.680 30.013 -0.333 2
1 363 . 1 1 A 26 26 ARG N N 26 122.119 120.828 1.291 2
1 364 . 1 1 A 27 27 ILE H H 27 7.340 7.715 -0.374 2
1 365 . 1 1 A 27 27 ILE HA H 27 3.450 3.668 -0.218 2
1 375 . 1 1 A 27 27 ILE C C 27 177.689 178.503 -0.814 2
1 376 . 1 1 A 27 27 ILE CA C 27 63.893 65.147 -1.254 2
1 377 . 1 1 A 27 27 ILE CB C 27 36.474 37.208 -0.734 2
1 381 . 1 1 A 27 27 ILE N N 27 115.446 120.231 -4.785 2
1 382 . 1 1 A 28 28 SER H H 28 8.203 8.130 0.073 2
1 383 . 1 1 A 28 28 SER HA H 28 4.144 4.307 -0.163 2
1 386 . 1 1 A 28 28 SER C C 28 177.220 177.107 0.113 2
1 387 . 1 1 A 28 28 SER CA C 28 61.085 61.430 -0.345 2
1 388 . 1 1 A 28 28 SER CB C 28 63.421 63.111 0.310 2
1 389 . 1 1 A 28 28 SER N N 28 113.324 116.974 -3.650 2
1 390 . 1 1 A 29 29 GLN H H 29 8.177 7.504 0.673 2
1 391 . 1 1 A 29 29 GLN HA H 29 4.003 4.064 -0.061 2
1 398 . 1 1 A 29 29 GLN C C 29 178.910 178.962 -0.052 2
1 399 . 1 1 A 29 29 GLN CA C 29 58.503 58.856 -0.353 2
1 400 . 1 1 A 29 29 GLN CB C 29 27.796 28.159 -0.363 2
1 402 . 1 1 A 29 29 GLN N N 29 120.561 121.490 -0.929 2
1 404 . 1 1 A 30 30 LEU H H 30 7.494 7.469 0.025 2
1 405 . 1 1 A 30 30 LEU HA H 30 4.258 4.091 0.167 2
1 415 . 1 1 A 30 30 LEU C C 30 178.956 177.225 1.731 2
1 416 . 1 1 A 30 30 LEU CA C 30 55.675 57.304 -1.629 2
1 417 . 1 1 A 30 30 LEU CB C 30 42.559 42.161 0.398 2
1 421 . 1 1 A 30 30 LEU N N 30 118.106 119.837 -1.731 2
1 422 . 1 1 A 31 31 MET H H 31 8.399 7.273 1.126 2
1 423 . 1 1 A 31 31 MET HA H 31 4.329 4.875 -0.546 2
1 428 . 1 1 A 31 31 MET C C 31 179.515 175.965 3.550 2
1 429 . 1 1 A 31 31 MET CA C 31 55.921 54.228 1.692 2
1 430 . 1 1 A 31 31 MET CB C 31 31.310 32.308 -0.998 2
1 432 . 1 1 A 31 31 MET N N 31 120.008 115.928 4.080 2
1 433 . 1 1 A 32 32 ILE H H 32 8.177 8.106 0.071 2
1 434 . 1 1 A 32 32 ILE HA H 32 3.423 4.100 -0.677 2
1 444 . 1 1 A 32 32 ILE C C 32 179.473 177.569 1.904 2
1 445 . 1 1 A 32 32 ILE CA C 32 67.639 63.345 4.294 2
1 446 . 1 1 A 32 32 ILE CB C 32 35.767 37.714 -1.947 2
1 450 . 1 1 A 32 32 ILE N N 32 114.338 119.771 -5.433 2
1 451 . 1 1 A 33 33 THR H H 33 8.957 7.721 1.236 2
1 452 . 1 1 A 33 33 THR HA H 33 4.143 4.228 -0.085 2
1 457 . 1 1 A 33 33 THR C C 33 174.361 174.296 0.065 2
1 458 . 1 1 A 33 33 THR CA C 33 62.251 64.151 -1.900 2
1 459 . 1 1 A 33 33 THR CB C 33 68.581 68.829 -0.248 2
1 461 . 1 1 A 33 33 THR N N 33 110.164 114.218 -4.054 2
1 462 . 1 1 A 34 34 ARG H H 34 6.509 7.581 -1.072 2
1 463 . 1 1 A 34 34 ARG HA H 34 4.862 4.840 0.022 2
1 470 . 1 1 A 34 34 ARG C C 34 174.922 174.610 0.312 2
1 471 . 1 1 A 34 34 ARG CA C 34 51.939 54.498 -2.559 2
1 472 . 1 1 A 34 34 ARG CB C 34 36.061 33.551 2.510 2
1 475 . 1 1 A 34 34 ARG N N 34 116.058 118.910 -2.852 2
1 476 . 1 1 A 35 35 ASN H H 35 8.733 8.896 -0.163 2
1 477 . 1 1 A 35 35 ASN HA H 35 4.810 5.069 -0.259 2
1 482 . 1 1 A 35 35 ASN C C 35 173.986 175.438 -1.452 2
1 483 . 1 1 A 35 35 ASN CA C 35 52.107 51.540 0.567 2
1 484 . 1 1 A 35 35 ASN CB C 35 36.636 38.235 -1.599 2
1 485 . 1 1 A 35 35 ASN N N 35 122.840 119.346 3.494 2
1 487 . 1 1 A 36 36 PRO HA H 36 4.197 4.587 -0.390 2
1 494 . 1 1 A 36 36 PRO C C 36 178.019 178.662 -0.643 2
1 495 . 1 1 A 36 36 PRO CA C 36 67.412 65.624 1.788 2
1 496 . 1 1 A 36 36 PRO CB C 36 32.018 31.923 0.095 2
1 499 . 1 1 A 37 37 ARG H H 37 7.804 8.475 -0.671 2
1 500 . 1 1 A 37 37 ARG HA H 37 3.749 3.899 -0.150 2
1 507 . 1 1 A 37 37 ARG C C 37 178.300 178.944 -0.644 2
1 508 . 1 1 A 37 37 ARG CA C 37 59.202 58.883 0.320 2
1 509 . 1 1 A 37 37 ARG CB C 37 29.435 29.482 -0.047 2
1 512 . 1 1 A 37 37 ARG N N 37 117.759 117.992 -0.233 2
1 513 . 1 1 A 38 38 GLN H H 38 8.682 8.332 0.350 2
1 514 . 1 1 A 38 38 GLN HA H 38 4.043 4.126 -0.083 2
1 521 . 1 1 A 38 38 GLN C C 38 180.078 178.430 1.648 2
1 522 . 1 1 A 38 38 GLN CA C 38 58.506 59.092 -0.585 2
1 523 . 1 1 A 38 38 GLN CB C 38 29.431 28.662 0.769 2
1 525 . 1 1 A 38 38 GLN N N 38 117.504 118.719 -1.215 2
1 527 . 1 1 A 39 39 CYS H H 39 8.095 7.913 0.182 2
1 528 . 1 1 A 39 39 CYS HA H 39 4.059 4.367 -0.308 2
1 531 . 1 1 A 39 39 CYS C C 39 173.893 177.121 -3.228 2
1 532 . 1 1 A 39 39 CYS CA C 39 64.592 62.577 2.015 2
1 533 . 1 1 A 39 39 CYS CB C 39 27.328 27.119 0.209 2
1 534 . 1 1 A 39 39 CYS N N 39 116.291 118.638 -2.347 2
1 535 . 1 1 A 40 40 ARG H H 40 7.589 7.646 -0.057 2
1 536 . 1 1 A 40 40 ARG HA H 40 1.821 2.635 -0.814 2
1 543 . 1 1 A 40 40 ARG C C 40 178.204 178.539 -0.335 2
1 544 . 1 1 A 40 40 ARG CA C 40 58.264 58.744 -0.480 2
1 545 . 1 1 A 40 40 ARG CB C 40 29.440 29.096 0.344 2
1 548 . 1 1 A 40 40 ARG N N 40 121.272 121.974 -0.702 2
1 549 . 1 1 A 41 41 GLU H H 41 8.352 8.203 0.149 2
1 550 . 1 1 A 41 41 GLU HA H 41 3.817 4.007 -0.190 2
1 555 . 1 1 A 41 41 GLU C C 41 178.718 179.172 -0.454 2
1 556 . 1 1 A 41 41 GLU CA C 41 58.971 59.212 -0.241 2
1 557 . 1 1 A 41 41 GLU CB C 41 28.972 29.020 -0.048 2
1 559 . 1 1 A 41 41 GLU N N 41 117.034 117.328 -0.294 2
1 560 . 1 1 A 42 42 ARG H H 42 7.755 7.754 0.001 2
1 561 . 1 1 A 42 42 ARG HA H 42 3.931 4.253 -0.322 2
1 568 . 1 1 A 42 42 ARG C C 42 179.333 178.474 0.859 2
1 569 . 1 1 A 42 42 ARG CA C 42 57.261 59.179 -1.918 2
1 570 . 1 1 A 42 42 ARG CB C 42 29.610 30.205 -0.595 2
1 573 . 1 1 A 42 42 ARG N N 42 119.603 119.911 -0.308 2
1 574 . 1 1 A 43 43 TRP H H 43 8.199 8.077 0.122 2
1 575 . 1 1 A 43 43 TRP HA H 43 4.292 4.369 -0.077 2
1 579 . 1 1 A 43 43 TRP C C 43 176.705 178.508 -1.803 2
1 580 . 1 1 A 43 43 TRP CA C 43 57.006 61.332 -4.326 2
1 581 . 1 1 A 43 43 TRP CB C 43 29.620 29.718 -0.098 2
1 582 . 1 1 A 43 43 TRP N N 43 119.355 122.067 -2.712 2
1 584 . 1 1 A 44 44 ASN H H 44 8.478 8.294 0.184 2
1 585 . 1 1 A 44 44 ASN HA H 44 4.177 4.335 -0.158 2
1 590 . 1 1 A 44 44 ASN C C 44 176.986 177.077 -0.091 2
1 591 . 1 1 A 44 44 ASN CA C 44 55.457 55.942 -0.485 2
1 592 . 1 1 A 44 44 ASN CB C 44 38.347 37.946 0.401 2
1 593 . 1 1 A 44 44 ASN N N 44 113.530 117.818 -4.288 2
1 595 . 1 1 A 45 45 ASN H H 45 8.060 8.047 0.013 2
1 596 . 1 1 A 45 45 ASN HA H 45 4.630 4.747 -0.117 2
1 601 . 1 1 A 45 45 ASN C C 45 175.347 175.020 0.327 2
1 602 . 1 1 A 45 45 ASN CA C 45 53.350 53.644 -0.294 2
1 603 . 1 1 A 45 45 ASN CB C 45 39.047 39.003 0.044 2
1 604 . 1 1 A 45 45 ASN N N 45 112.540 115.061 -2.521 2
1 606 . 1 1 A 46 46 TYR H H 46 7.443 7.960 -0.517 2
1 607 . 1 1 A 46 46 TYR HA H 46 4.447 4.987 -0.540 2
1 614 . 1 1 A 46 46 TYR C C 46 175.439 175.064 0.375 2
1 615 . 1 1 A 46 46 TYR CA C 46 60.074 59.245 0.829 2
1 616 . 1 1 A 46 46 TYR CB C 46 40.383 40.541 -0.158 2
1 621 . 1 1 A 46 46 TYR N N 46 117.403 118.855 -1.452 2
1 622 . 1 1 A 47 47 ILE HA H 47 3.786 4.682 -0.896 2
1 632 . 1 1 A 47 47 ILE C C 47 175.440 174.047 1.393 2
1 633 . 1 1 A 47 47 ILE CA C 47 62.240 59.303 2.937 2
1 634 . 1 1 A 47 47 ILE CB C 47 38.670 41.018 -2.348 2
1 638 . 1 1 A 48 48 ASN H H 48 7.922 8.706 -0.784 2
1 639 . 1 1 A 48 48 ASN HA H 48 3.795 4.580 -0.785 2
1 642 . 1 1 A 48 48 ASN C C 48 174.640 175.228 -0.588 2
1 643 . 1 1 A 48 48 ASN N N 48 119.990 120.517 -0.527 2
1 645 . 1 1 A 49 49 PRO HA H 49 4.166 4.412 -0.246 2
1 652 . 1 1 A 49 49 PRO C C 49 177.408 176.654 0.754 2
1 653 . 1 1 A 49 49 PRO CA C 49 64.124 64.155 -0.031 2
1 654 . 1 1 A 49 49 PRO CB C 49 31.313 32.184 -0.871 2
1 657 . 1 1 A 50 50 ALA H H 50 7.595 7.889 -0.294 2
1 658 . 1 1 A 50 50 ALA HA H 50 4.128 4.173 -0.045 2
1 662 . 1 1 A 50 50 ALA C C 50 178.251 177.476 0.775 2
1 663 . 1 1 A 50 50 ALA CA C 50 52.642 52.525 0.117 2
1 664 . 1 1 A 50 50 ALA CB C 50 18.422 17.992 0.430 2
1 665 . 1 1 A 50 50 ALA N N 50 120.036 119.649 0.387 2
1 666 . 1 1 A 51 51 LEU H H 51 7.586 8.013 -0.427 2
1 667 . 1 1 A 51 51 LEU HA H 51 4.119 4.410 -0.291 2
1 677 . 1 1 A 51 51 LEU C C 51 177.686 177.914 -0.228 2
1 678 . 1 1 A 51 51 LEU CA C 51 55.219 55.273 -0.054 2
1 679 . 1 1 A 51 51 LEU CB C 51 41.883 41.556 0.327 2
1 683 . 1 1 A 51 51 LEU N N 51 118.197 117.420 0.777 2
1 684 . 1 1 A 52 52 ARG H H 52 8.013 7.993 0.020 2
1 685 . 1 1 A 52 52 ARG HA H 52 4.334 4.131 0.203 2
1 692 . 1 1 A 52 52 ARG C C 52 176.658 176.295 0.363 2
1 693 . 1 1 A 52 52 ARG CA C 52 55.923 58.468 -2.545 2
1 694 . 1 1 A 52 52 ARG CB C 52 31.086 30.127 0.959 2
1 697 . 1 1 A 52 52 ARG N N 52 119.899 120.157 -0.258 2
1 698 . 1 1 A 53 53 THR H H 53 8.187 7.544 0.643 2
1 699 . 1 1 A 53 53 THR HA H 53 4.345 4.553 -0.208 2
1 704 . 1 1 A 53 53 THR C C 53 173.892 172.534 1.358 2
1 705 . 1 1 A 53 53 THR CA C 53 60.611 61.019 -0.408 2
1 706 . 1 1 A 53 53 THR CB C 53 69.514 69.098 0.416 2
1 708 . 1 1 A 53 53 THR N N 53 113.907 113.001 0.906 2
1 709 . 1 1 A 54 54 ASP H H 54 8.430 8.649 -0.219 2
1 710 . 1 1 A 54 54 ASP HA H 54 4.810 5.212 -0.402 2
1 713 . 1 1 A 54 54 ASP C C 54 174.082 173.573 0.509 2
1 714 . 1 1 A 54 54 ASP CA C 54 52.578 51.536 1.042 2
1 715 . 1 1 A 54 54 ASP CB C 54 39.685 41.577 -1.892 2
1 716 . 1 1 A 54 54 ASP N N 54 123.174 126.683 -3.509 2
1 717 . 1 1 A 55 55 PRO HA H 55 4.561 4.486 0.075 2
1 724 . 1 1 A 55 55 PRO C C 55 177.127 176.682 0.445 2
1 725 . 1 1 A 55 55 PRO CA C 55 62.958 62.558 0.400 2
1 726 . 1 1 A 55 55 PRO CB C 55 32.013 32.165 -0.152 2
1 729 . 1 1 A 56 56 TRP H H 56 8.721 7.596 1.125 2
1 730 . 1 1 A 56 56 TRP HA H 56 4.351 4.955 -0.604 2
1 739 . 1 1 A 56 56 TRP C C 56 177.127 175.338 1.789 2
1 740 . 1 1 A 56 56 TRP CA C 56 57.796 56.282 1.514 2
1 741 . 1 1 A 56 56 TRP CB C 56 28.732 31.246 -2.514 2
1 747 . 1 1 A 56 56 TRP N N 56 124.713 120.422 4.291 2
1 749 . 1 1 A 57 57 SER H H 57 9.085 8.927 0.158 2
1 750 . 1 1 A 57 57 SER HA H 57 4.957 4.926 0.031 2
1 753 . 1 1 A 57 57 SER C C 57 173.562 174.473 -0.911 2
1 754 . 1 1 A 57 57 SER CA C 57 55.852 56.059 -0.207 2
1 755 . 1 1 A 57 57 SER CB C 57 63.824 65.846 -2.022 2
1 756 . 1 1 A 57 57 SER N N 57 122.041 114.449 7.592 2
1 757 . 1 1 A 58 58 PRO HA H 58 4.444 4.332 0.112 2
1 764 . 1 1 A 58 58 PRO C C 58 179.777 178.659 1.118 2
1 765 . 1 1 A 58 58 PRO CA C 58 65.071 65.115 -0.043 2
1 766 . 1 1 A 58 58 PRO CB C 58 31.546 31.931 -0.385 2
1 769 . 1 1 A 59 59 GLU H H 59 8.788 8.455 0.333 2
1 770 . 1 1 A 59 59 GLU HA H 59 4.088 4.103 -0.015 2
1 775 . 1 1 A 59 59 GLU C C 59 179.656 179.200 0.456 2
1 776 . 1 1 A 59 59 GLU CA C 59 60.373 59.969 0.404 2
1 777 . 1 1 A 59 59 GLU CB C 59 28.505 29.109 -0.604 2
1 779 . 1 1 A 59 59 GLU N N 59 117.546 117.409 0.137 2
1 780 . 1 1 A 60 60 GLU H H 60 7.977 8.145 -0.168 2
1 781 . 1 1 A 60 60 GLU HA H 60 4.015 4.054 -0.039 2
1 786 . 1 1 A 60 60 GLU C C 60 178.440 178.773 -0.333 2
1 787 . 1 1 A 60 60 GLU CA C 60 59.913 59.122 0.791 2
1 788 . 1 1 A 60 60 GLU CB C 60 31.541 28.837 2.704 2
1 790 . 1 1 A 60 60 GLU N N 60 122.264 119.864 2.400 2
1 791 . 1 1 A 61 61 ASP H H 61 8.267 8.171 0.095 2
1 792 . 1 1 A 61 61 ASP HA H 61 4.654 4.507 0.147 2
1 795 . 1 1 A 61 61 ASP C C 61 179.469 178.604 0.865 2
1 796 . 1 1 A 61 61 ASP CA C 61 57.562 57.722 -0.160 2
1 797 . 1 1 A 61 61 ASP CB C 61 39.987 41.713 -1.726 2
1 798 . 1 1 A 61 61 ASP N N 61 120.543 120.149 0.394 2
1 799 . 1 1 A 62 62 MET H H 62 8.139 8.495 -0.356 2
1 800 . 1 1 A 62 62 MET HA H 62 4.284 4.256 0.028 2
1 805 . 1 1 A 62 62 MET C C 62 178.811 178.486 0.325 2
1 806 . 1 1 A 62 62 MET CA C 62 58.505 58.653 -0.148 2
1 807 . 1 1 A 62 62 MET CB C 62 32.251 32.733 -0.482 2
1 809 . 1 1 A 62 62 MET N N 62 119.343 118.043 1.300 2
1 810 . 1 1 A 63 63 LEU H H 63 7.959 7.855 0.104 2
1 811 . 1 1 A 63 63 LEU HA H 63 4.212 4.075 0.136 2
1 821 . 1 1 A 63 63 LEU C C 63 177.642 178.625 -0.983 2
1 822 . 1 1 A 63 63 LEU CA C 63 57.562 57.281 0.281 2
1 823 . 1 1 A 63 63 LEU CB C 63 42.096 41.650 0.446 2
1 827 . 1 1 A 63 63 LEU N N 63 122.676 120.943 1.733 2
1 828 . 1 1 A 64 64 LEU H H 64 8.784 8.414 0.370 2
1 829 . 1 1 A 64 64 LEU HA H 64 4.119 4.027 0.092 2
1 839 . 1 1 A 64 64 LEU C C 64 177.515 178.100 -0.585 2
1 840 . 1 1 A 64 64 LEU CA C 64 58.738 57.757 0.981 2
1 841 . 1 1 A 64 64 LEU CB C 64 41.395 41.835 -0.440 2
1 845 . 1 1 A 64 64 LEU N N 64 120.877 119.918 0.959 2
1 846 . 1 1 A 65 65 ASP H H 65 8.085 8.584 -0.499 2
1 847 . 1 1 A 65 65 ASP HA H 65 4.630 4.431 0.199 2
1 850 . 1 1 A 65 65 ASP C C 65 179.391 178.552 0.839 2
1 851 . 1 1 A 65 65 ASP CA C 65 57.566 57.504 0.062 2
1 852 . 1 1 A 65 65 ASP CB C 65 41.626 41.687 -0.061 2
1 853 . 1 1 A 65 65 ASP N N 65 118.583 118.830 -0.247 2
1 854 . 1 1 A 66 66 GLN H H 66 8.336 7.917 0.419 2
1 855 . 1 1 A 66 66 GLN HA H 66 4.050 4.095 -0.045 2
1 862 . 1 1 A 66 66 GLN C C 66 179.565 178.441 1.124 2
1 863 . 1 1 A 66 66 GLN CA C 66 58.739 58.685 0.054 2
1 864 . 1 1 A 66 66 GLN CB C 66 28.502 28.623 -0.121 2
1 866 . 1 1 A 66 66 GLN N N 66 118.725 118.899 -0.174 2
1 868 . 1 1 A 67 67 LYS H H 67 9.126 7.640 1.486 2
1 869 . 1 1 A 67 67 LYS HA H 67 4.142 4.114 0.028 2
1 878 . 1 1 A 67 67 LYS C C 67 178.671 178.740 -0.069 2
1 879 . 1 1 A 67 67 LYS CA C 67 56.156 58.937 -2.781 2
1 880 . 1 1 A 67 67 LYS CB C 67 31.550 32.642 -1.092 2
1 884 . 1 1 A 67 67 LYS N N 67 117.220 119.658 -2.438 2
1 885 . 1 1 A 68 68 TYR H H 68 9.361 8.707 0.654 2
1 886 . 1 1 A 68 68 TYR HA H 68 3.819 4.071 -0.251 2
1 893 . 1 1 A 68 68 TYR C C 68 179.235 177.604 1.631 2
1 894 . 1 1 A 68 68 TYR CA C 68 61.547 61.913 -0.366 2
1 895 . 1 1 A 68 68 TYR CB C 68 37.881 38.621 -0.740 2
1 900 . 1 1 A 68 68 TYR N N 68 123.884 120.770 3.114 2
1 901 . 1 1 A 69 69 ALA H H 69 7.810 8.007 -0.197 2
1 902 . 1 1 A 69 69 ALA HA H 69 3.980 3.999 -0.019 2
1 906 . 1 1 A 69 69 ALA C C 69 178.673 179.076 -0.403 2
1 907 . 1 1 A 69 69 ALA CA C 69 54.755 55.181 -0.426 2
1 908 . 1 1 A 69 69 ALA CB C 69 17.253 18.531 -1.278 2
1 909 . 1 1 A 69 69 ALA N N 69 121.733 121.587 0.146 2
1 910 . 1 1 A 70 70 GLU H H 70 7.091 7.833 -0.742 2
1 911 . 1 1 A 70 70 GLU HA H 70 3.848 4.098 -0.250 2
1 916 . 1 1 A 70 70 GLU C C 70 178.018 177.827 0.191 2
1 917 . 1 1 A 70 70 GLU CA C 70 58.566 58.249 0.317 2
1 918 . 1 1 A 70 70 GLU CB C 70 30.609 30.340 0.269 2
1 920 . 1 1 A 70 70 GLU N N 70 115.850 117.099 -1.249 2
1 921 . 1 1 A 71 71 TYR H H 71 8.270 8.252 0.018 2
1 922 . 1 1 A 71 71 TYR HA H 71 4.537 4.275 0.262 2
1 929 . 1 1 A 71 71 TYR C C 71 177.174 176.204 0.970 2
1 930 . 1 1 A 71 71 TYR CA C 71 57.796 59.761 -1.965 2
1 931 . 1 1 A 71 71 TYR CB C 71 40.219 38.719 1.500 2
1 936 . 1 1 A 71 71 TYR N N 71 114.509 117.142 -2.633 2
1 937 . 1 1 A 72 72 GLY H H 72 8.417 7.869 0.548 2
1 938 . 1 1 A 72 72 GLY HA2 H 72 3.720 2.882 0.838 2
1 939 . 1 1 A 72 72 GLY HA3 H 72 2.255 3.627 -1.371 2
1 940 . 1 1 A 72 72 GLY C C 72 172.111 174.053 -1.942 2
1 941 . 1 1 A 72 72 GLY CA C 72 43.439 43.824 -0.385 2
1 942 . 1 1 A 72 72 GLY N N 72 111.509 106.722 4.787 2
1 943 . 1 1 A 73 73 PRO HA H 73 2.587 2.868 -0.281 2
1 950 . 1 1 A 73 73 PRO C C 73 175.393 175.045 0.348 2
1 951 . 1 1 A 73 73 PRO CA C 73 62.018 62.860 -0.842 2
1 952 . 1 1 A 73 73 PRO CB C 73 28.033 31.258 -3.224 2
1 955 . 1 1 A 74 74 LYS H H 74 8.065 8.082 -0.017 2
1 956 . 1 1 A 74 74 LYS HA H 74 4.259 4.297 -0.038 2
1 965 . 1 1 A 74 74 LYS C C 74 177.220 176.295 0.925 2
1 966 . 1 1 A 74 74 LYS CA C 74 52.641 54.585 -1.944 2
1 967 . 1 1 A 74 74 LYS CB C 74 30.145 30.172 -0.028 2
1 971 . 1 1 A 74 74 LYS N N 74 125.996 119.024 6.972 2
1 972 . 1 1 A 75 75 TRP H H 75 6.735 6.942 -0.207 2
1 973 . 1 1 A 75 75 TRP HA H 75 4.305 4.379 -0.074 2
1 982 . 1 1 A 75 75 TRP C C 75 177.174 178.304 -1.130 2
1 983 . 1 1 A 75 75 TRP CA C 75 58.969 60.081 -1.112 2
1 984 . 1 1 A 75 75 TRP CB C 75 29.668 28.621 1.047 2
1 990 . 1 1 A 75 75 TRP N N 75 122.056 121.726 0.330 2
1 992 . 1 1 A 76 76 ASN H H 76 8.732 8.372 0.360 2
1 993 . 1 1 A 76 76 ASN HA H 76 4.606 4.488 0.118 2
1 998 . 1 1 A 76 76 ASN C C 76 177.830 177.169 0.661 2
1 999 . 1 1 A 76 76 ASN CA C 76 55.925 56.279 -0.354 2
1 1000 . 1 1 A 76 76 ASN CB C 76 37.876 38.278 -0.401 2
1 1001 . 1 1 A 76 76 ASN N N 76 114.266 119.240 -4.974 2
1 1003 . 1 1 A 77 77 LYS H H 77 7.401 8.000 -0.599 2
1 1004 . 1 1 A 77 77 LYS HA H 77 3.979 3.997 -0.018 2
1 1013 . 1 1 A 77 77 LYS C C 77 178.859 179.149 -0.290 2
1 1014 . 1 1 A 77 77 LYS CA C 77 57.800 58.505 -0.705 2
1 1015 . 1 1 A 77 77 LYS CB C 77 31.545 32.365 -0.820 2
1 1019 . 1 1 A 77 77 LYS N N 77 120.857 118.835 2.022 2
1 1020 . 1 1 A 78 78 ILE H H 78 7.754 7.693 0.061 2
1 1021 . 1 1 A 78 78 ILE HA H 78 3.679 3.675 0.004 2
1 1031 . 1 1 A 78 78 ILE C C 78 178.202 178.001 0.201 2
1 1032 . 1 1 A 78 78 ILE CA C 78 65.997 65.242 0.755 2
1 1033 . 1 1 A 78 78 ILE CB C 78 38.343 38.018 0.325 2
1 1037 . 1 1 A 78 78 ILE N N 78 118.290 121.259 -2.969 2
1 1038 . 1 1 A 79 79 SER H H 79 8.386 8.513 -0.127 2
1 1039 . 1 1 A 79 79 SER HA H 79 4.049 4.225 -0.176 2
1 1042 . 1 1 A 79 79 SER C C 79 175.627 176.396 -0.769 2
1 1043 . 1 1 A 79 79 SER CA C 79 61.084 61.525 -0.441 2
1 1044 . 1 1 A 79 79 SER CB C 79 62.720 62.816 -0.096 2
1 1045 . 1 1 A 79 79 SER N N 79 114.363 115.429 -1.066 2
1 1046 . 1 1 A 80 80 LYS H H 80 7.017 8.035 -1.018 2
1 1047 . 1 1 A 80 80 LYS HA H 80 4.005 4.121 -0.116 2
1 1056 . 1 1 A 80 80 LYS C C 80 177.361 177.519 -0.158 2
1 1057 . 1 1 A 80 80 LYS CA C 80 57.098 58.020 -0.922 2
1 1058 . 1 1 A 80 80 LYS CB C 80 31.083 32.215 -1.132 2
1 1062 . 1 1 A 80 80 LYS N N 80 118.534 120.550 -2.016 2
1 1063 . 1 1 A 81 81 PHE H H 81 7.932 8.323 -0.391 2
1 1064 . 1 1 A 81 81 PHE HA H 81 4.467 4.369 0.098 2
1 1071 . 1 1 A 81 81 PHE C C 81 174.969 177.177 -2.208 2
1 1072 . 1 1 A 81 81 PHE CA C 81 58.500 60.267 -1.767 2
1 1073 . 1 1 A 81 81 PHE CB C 81 39.516 38.910 0.606 2
1 1078 . 1 1 A 81 81 PHE N N 81 114.880 117.461 -2.581 2
1 1079 . 1 1 A 82 82 LEU H H 82 7.487 7.257 0.230 2
1 1080 . 1 1 A 82 82 LEU HA H 82 4.666 4.310 0.356 2
1 1090 . 1 1 A 82 82 LEU C C 82 175.107 177.181 -2.074 2
1 1091 . 1 1 A 82 82 LEU CA C 82 52.875 56.465 -3.590 2
1 1092 . 1 1 A 82 82 LEU CB C 82 42.802 42.198 0.604 2
1 1096 . 1 1 A 82 82 LEU N N 82 122.945 118.641 4.304 2
1 1097 . 1 1 A 83 83 LYS H H 83 8.256 8.096 0.160 2
1 1098 . 1 1 A 83 83 LYS HA H 83 4.120 4.019 0.101 2
1 1107 . 1 1 A 83 83 LYS C C 83 176.236 176.553 -0.317 2
1 1108 . 1 1 A 83 83 LYS CA C 83 56.630 57.715 -1.085 2
1 1109 . 1 1 A 83 83 LYS CB C 83 31.786 31.197 0.589 2
1 1113 . 1 1 A 83 83 LYS N N 83 118.856 118.049 0.807 2
1 1114 . 1 1 A 84 84 ASN H H 84 8.684 8.234 0.450 2
1 1115 . 1 1 A 84 84 ASN HA H 84 4.304 4.851 -0.547 2
1 1120 . 1 1 A 84 84 ASN C C 84 173.846 175.024 -1.178 2
1 1121 . 1 1 A 84 84 ASN CA C 84 53.816 53.476 0.340 2
1 1122 . 1 1 A 84 84 ASN CB C 84 37.176 40.529 -3.353 2
1 1123 . 1 1 A 84 84 ASN N N 84 116.099 115.840 0.259 2
1 1125 . 1 1 A 85 85 ARG H H 85 7.665 7.762 -0.097 2
1 1126 . 1 1 A 85 85 ARG HA H 85 4.675 4.815 -0.140 2
1 1132 . 1 1 A 85 85 ARG C C 85 175.529 174.687 0.842 2
1 1133 . 1 1 A 85 85 ARG CA C 85 53.112 54.213 -1.101 2
1 1134 . 1 1 A 85 85 ARG CB C 85 31.783 33.334 -1.551 2
1 1137 . 1 1 A 85 85 ARG N N 85 116.162 118.101 -1.939 2
1 1139 . 1 1 A 86 86 SER H H 86 8.864 8.445 0.419 2
1 1140 . 1 1 A 86 86 SER HA H 86 4.488 4.962 -0.474 2
1 1143 . 1 1 A 86 86 SER C C 86 174.407 175.039 -0.632 2
1 1144 . 1 1 A 86 86 SER CA C 86 57.093 56.055 1.038 2
1 1145 . 1 1 A 86 86 SER CB C 86 64.840 66.054 -1.214 2
1 1146 . 1 1 A 86 86 SER N N 86 119.204 113.795 5.409 2
1 1147 . 1 1 A 87 87 ASP H H 87 8.784 8.808 -0.024 2
1 1148 . 1 1 A 87 87 ASP HA H 87 4.095 4.398 -0.303 2
1 1151 . 1 1 A 87 87 ASP C C 87 178.111 178.374 -0.263 2
1 1152 . 1 1 A 87 87 ASP CA C 87 57.801 56.883 0.918 2
1 1153 . 1 1 A 87 87 ASP CB C 87 39.056 39.819 -0.763 2
1 1154 . 1 1 A 87 87 ASP N N 87 121.415 122.825 -1.410 2
1 1155 . 1 1 A 88 88 ASN H H 88 8.491 7.981 0.510 2
1 1156 . 1 1 A 88 88 ASN HA H 88 4.166 4.391 -0.225 2
1 1161 . 1 1 A 88 88 ASN C C 88 176.842 177.355 -0.513 2
1 1162 . 1 1 A 88 88 ASN CA C 88 55.458 55.883 -0.425 2
1 1163 . 1 1 A 88 88 ASN CB C 88 38.103 38.388 -0.285 2
1 1164 . 1 1 A 88 88 ASN N N 88 115.811 118.605 -2.793 2
1 1166 . 1 1 A 89 89 ASN H H 89 7.959 7.821 0.138 2
1 1167 . 1 1 A 89 89 ASN HA H 89 4.422 4.481 -0.059 2
1 1172 . 1 1 A 89 89 ASN C C 89 178.159 177.809 0.350 2
1 1173 . 1 1 A 89 89 ASN CA C 89 56.632 55.727 0.905 2
1 1174 . 1 1 A 89 89 ASN CB C 89 39.749 38.660 1.089 2
1 1175 . 1 1 A 89 89 ASN N N 89 120.679 117.508 3.171 2
1 1177 . 1 1 A 90 90 ILE H H 90 8.373 8.264 0.110 2
1 1178 . 1 1 A 90 90 ILE HA H 90 3.840 4.001 -0.161 2
1 1188 . 1 1 A 90 90 ILE C C 90 176.191 177.664 -1.473 2
1 1189 . 1 1 A 90 90 ILE CA C 90 65.298 64.918 0.380 2
1 1190 . 1 1 A 90 90 ILE CB C 90 38.109 37.589 0.520 2
1 1194 . 1 1 A 90 90 ILE N N 90 120.840 119.564 1.276 2
1 1195 . 1 1 A 91 91 ARG H H 91 7.749 8.196 -0.447 2
1 1196 . 1 1 A 91 91 ARG HA H 91 2.077 3.104 -1.027 2
1 1203 . 1 1 A 91 91 ARG C C 91 178.063 178.017 0.046 2
1 1204 . 1 1 A 91 91 ARG CA C 91 58.500 58.909 -0.409 2
1 1205 . 1 1 A 91 91 ARG CB C 91 28.969 29.763 -0.794 2
1 1208 . 1 1 A 91 91 ARG N N 91 120.230 120.267 -0.037 2
1 1209 . 1 1 A 92 92 ASN H H 92 7.959 7.890 0.069 2
1 1210 . 1 1 A 92 92 ASN HA H 92 4.167 4.419 -0.252 2
1 1215 . 1 1 A 92 92 ASN C C 92 177.689 177.691 -0.002 2
1 1216 . 1 1 A 92 92 ASN CA C 92 55.640 56.070 -0.430 2
1 1217 . 1 1 A 92 92 ASN CB C 92 37.644 38.702 -1.058 2
1 1218 . 1 1 A 92 92 ASN N N 92 115.405 117.817 -2.411 2
1 1220 . 1 1 A 93 93 ARG H H 93 7.872 8.368 -0.496 2
1 1221 . 1 1 A 93 93 ARG HA H 93 3.610 3.829 -0.219 2
1 1229 . 1 1 A 93 93 ARG C C 93 177.737 178.835 -1.098 2
1 1230 . 1 1 A 93 93 ARG CA C 93 57.263 58.959 -1.696 2
1 1231 . 1 1 A 93 93 ARG CB C 93 29.141 29.596 -0.455 2
1 1234 . 1 1 A 93 93 ARG N N 93 122.360 119.245 3.115 2
1 1236 . 1 1 A 94 94 TRP H H 94 8.411 8.792 -0.381 2
1 1237 . 1 1 A 94 94 TRP HA H 94 3.818 4.374 -0.556 2
1 1241 . 1 1 A 94 94 TRP N N 94 119.510 122.005 -2.495 2
1 1243 . 1 1 A 95 95 MET HA H 95 3.725 4.076 -0.351 2
1 1246 . 1 1 A 95 95 MET C C 95 178.580 178.373 0.207 2
1 1247 . 1 1 A 95 95 MET CA C 95 57.807 58.121 -0.314 2
1 1248 . 1 1 A 95 95 MET CB C 95 32.023 32.130 -0.107 2
1 1249 . 1 1 A 96 96 MET H H 96 7.580 7.598 -0.018 2
1 1250 . 1 1 A 96 96 MET HA H 96 3.980 4.205 -0.225 2
1 1255 . 1 1 A 96 96 MET C C 96 178.344 178.009 0.335 2
1 1256 . 1 1 A 96 96 MET CA C 96 58.033 57.764 0.269 2
1 1257 . 1 1 A 96 96 MET CB C 96 31.783 32.304 -0.521 2
1 1259 . 1 1 A 96 96 MET N N 96 118.340 118.954 -0.614 2
1 1260 . 1 1 A 97 97 ILE H H 97 7.884 7.943 -0.059 2
1 1261 . 1 1 A 97 97 ILE HA H 97 3.583 3.809 -0.227 2
1 1271 . 1 1 A 97 97 ILE C C 97 178.154 177.757 0.397 2
1 1272 . 1 1 A 97 97 ILE CA C 97 63.656 63.741 -0.085 2
1 1273 . 1 1 A 97 97 ILE CB C 97 37.637 36.873 0.764 2
1 1277 . 1 1 A 97 97 ILE N N 97 120.158 118.455 1.703 2
1 1278 . 1 1 A 98 98 ALA H H 98 8.064 8.314 -0.250 2
1 1279 . 1 1 A 98 98 ALA HA H 98 3.515 3.771 -0.256 2
1 1283 . 1 1 A 98 98 ALA C C 98 180.224 179.527 0.697 2
1 1284 . 1 1 A 98 98 ALA CA C 98 54.283 54.279 0.004 2
1 1285 . 1 1 A 98 98 ALA CB C 98 17.251 17.714 -0.463 2
1 1286 . 1 1 A 98 98 ALA N N 98 123.446 122.955 0.491 2
1 1287 . 1 1 A 99 99 ARG H H 99 7.623 7.780 -0.157 2
1 1288 . 1 1 A 99 99 ARG HA H 99 3.934 4.002 -0.068 2
1 1295 . 1 1 A 99 99 ARG C C 99 177.923 178.498 -0.575 2
1 1296 . 1 1 A 99 99 ARG CA C 99 57.968 58.375 -0.407 2
1 1297 . 1 1 A 99 99 ARG CB C 99 29.606 29.764 -0.158 2
1 1300 . 1 1 A 99 99 ARG N N 99 117.538 118.686 -1.148 2
1 1301 . 1 1 A 100 100 HIS H H 100 7.797 7.775 0.022 2
1 1302 . 1 1 A 100 100 HIS HA H 100 4.409 4.251 0.158 2
1 1307 . 1 1 A 100 100 HIS C C 100 176.575 177.076 -0.501 2
1 1308 . 1 1 A 100 100 HIS CA C 100 57.109 59.069 -1.960 2
1 1309 . 1 1 A 100 100 HIS CB C 100 29.204 29.993 -0.789 2
1 1312 . 1 1 A 100 100 HIS N N 100 118.311 118.993 -0.682 2
1 1313 . 1 1 A 101 101 ARG H H 101 8.057 7.618 0.439 2
1 1314 . 1 1 A 101 101 ARG HA H 101 4.062 3.978 0.084 2
1 1321 . 1 1 A 101 101 ARG C C 101 177.220 178.346 -1.126 2
1 1322 . 1 1 A 101 101 ARG CA C 101 57.556 58.344 -0.788 2
1 1323 . 1 1 A 101 101 ARG CB C 101 30.157 30.009 0.148 2
1 1326 . 1 1 A 101 101 ARG N N 101 119.935 118.686 1.250 2
1 1327 . 1 1 A 102 102 ALA H H 102 7.917 7.779 0.138 2
1 1328 . 1 1 A 102 102 ALA HA H 102 4.167 4.143 0.024 2
1 1332 . 1 1 A 102 102 ALA C C 102 178.532 178.812 -0.280 2
1 1333 . 1 1 A 102 102 ALA CA C 102 53.103 53.932 -0.829 2
1 1334 . 1 1 A 102 102 ALA CB C 102 18.447 18.327 0.120 2
1 1335 . 1 1 A 102 102 ALA N N 102 122.678 121.897 0.781 2
1 1336 . 1 1 A 103 103 LYS H H 103 7.884 7.605 0.279 2
1 1337 . 1 1 A 103 103 LYS HA H 103 4.121 4.197 -0.076 2
1 1346 . 1 1 A 103 103 LYS C C 103 177.080 177.299 -0.219 2
1 1347 . 1 1 A 103 103 LYS CA C 103 56.856 57.059 -0.203 2
1 1348 . 1 1 A 103 103 LYS CB C 103 32.480 32.537 -0.057 2
1 1352 . 1 1 A 103 103 LYS N N 103 118.773 116.773 2.000 2
1 1353 . 1 1 A 104 104 HIS H H 104 8.118 7.995 0.123 2
1 1354 . 1 1 A 104 104 HIS HA H 104 4.560 4.388 0.172 2
1 1359 . 1 1 A 104 104 HIS C C 104 175.204 175.810 -0.606 2
1 1360 . 1 1 A 104 104 HIS CA C 104 55.932 57.167 -1.235 2
1 1361 . 1 1 A 104 104 HIS CB C 104 29.448 28.683 0.765 2
1 1364 . 1 1 A 104 104 HIS N N 104 118.685 115.003 3.682 2
1 1365 . 1 1 A 105 105 GLN H H 105 8.233 8.047 0.186 2
1 1366 . 1 1 A 105 105 GLN HA H 105 4.218 4.020 0.198 2
1 1373 . 1 1 A 105 105 GLN C C 105 176.172 177.631 -1.459 2
1 1374 . 1 1 A 105 105 GLN CA C 105 56.130 58.218 -2.088 2
1 1375 . 1 1 A 105 105 GLN CB C 105 28.976 28.412 0.564 2
1 1377 . 1 1 A 105 105 GLN N N 105 121.104 119.600 1.504 2
1 1379 . 1 1 A 106 106 LYS H H 106 8.346 8.040 0.306 2
1 1380 . 1 1 A 106 106 LYS HA H 106 4.239 4.152 0.087 2
1 1389 . 1 1 A 106 106 LYS C C 106 177.022 177.879 -0.857 2
1 1390 . 1 1 A 106 106 LYS CA C 106 56.647 58.207 -1.560 2
1 1391 . 1 1 A 106 106 LYS CB C 106 32.481 32.543 -0.062 2
1 1395 . 1 1 A 106 106 LYS N N 106 122.274 118.703 3.571 2
stop_
save_