data_16373_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16373
_Entry.PDB_ID 2KKV
_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 5 . 1 1 1 A 2 2 GLU HA H 2 4.399 4.087 0.312 1
1 10 . 1 1 1 A 2 2 GLU CA C 2 56.358 59.596 -3.238 1
1 11 . 1 1 1 A 2 2 GLU CB C 2 30.249 29.789 0.460 1
1 13 . 1 1 1 A 3 3 ASN H H 3 8.699 7.980 0.719 1
1 14 . 1 1 1 A 3 3 ASN HA H 3 4.753 4.866 -0.113 1
1 19 . 1 1 1 A 3 3 ASN CA C 3 53.211 53.001 0.210 1
1 20 . 1 1 1 A 3 3 ASN CB C 3 38.733 38.159 0.574 1
1 21 . 1 1 1 A 3 3 ASN N N 3 120.234 118.621 1.613 1
1 23 . 1 1 1 A 4 4 SER H H 4 8.428 8.487 -0.059 1
1 24 . 1 1 1 A 4 4 SER HA H 4 4.395 4.457 -0.062 1
1 27 . 1 1 1 A 4 4 SER CA C 4 59.048 59.868 -0.820 1
1 28 . 1 1 1 A 4 4 SER CB C 4 63.485 63.032 0.453 1
1 29 . 1 1 1 A 4 4 SER N N 4 116.413 122.719 -6.306 1
1 30 . 1 1 1 A 5 5 GLY H H 5 8.525 8.537 -0.012 1
1 31 . 1 1 1 A 5 5 GLY HA2 H 5 3.970 4.177 -0.207 1
1 32 . 1 1 1 A 5 5 GLY HA3 H 5 3.969 4.193 -0.224 1
1 33 . 1 1 1 A 5 5 GLY CA C 5 45.717 45.315 0.402 1
1 34 . 1 1 1 A 5 5 GLY N N 5 111.196 111.786 -0.590 1
1 35 . 1 1 1 A 6 6 ALA H H 6 7.941 8.791 -0.850 1
1 36 . 1 1 1 A 6 6 ALA HA H 6 4.206 4.056 0.150 1
1 40 . 1 1 1 A 6 6 ALA CA C 6 52.988 53.246 -0.258 1
1 41 . 1 1 1 A 6 6 ALA CB C 6 19.429 17.940 1.489 1
1 42 . 1 1 1 A 6 6 ALA N N 6 123.277 122.526 0.751 1
1 43 . 1 1 1 A 7 7 TYR H H 7 8.351 8.619 -0.268 1
1 44 . 1 1 1 A 7 7 TYR HA H 7 4.509 4.454 0.055 1
1 51 . 1 1 1 A 7 7 TYR CA C 7 57.528 57.612 -0.084 1
1 52 . 1 1 1 A 7 7 TYR CB C 7 39.356 38.944 0.412 1
1 55 . 1 1 1 A 7 7 TYR N N 7 114.900 114.263 0.637 1
1 56 . 1 1 1 A 8 8 THR H H 8 7.735 7.539 0.196 1
1 57 . 1 1 1 A 8 8 THR HA H 8 4.922 3.938 0.984 1
1 62 . 1 1 1 A 8 8 THR CA C 8 60.827 60.649 0.178 1
1 63 . 1 1 1 A 8 8 THR CB C 8 70.109 71.070 -0.961 1
1 65 . 1 1 1 A 8 8 THR N N 8 110.856 113.343 -2.487 1
1 66 . 1 1 1 A 9 9 PHE H H 9 8.816 9.138 -0.322 1
1 67 . 1 1 1 A 9 9 PHE HA H 9 3.825 4.129 -0.304 1
1 75 . 1 1 1 A 9 9 PHE CA C 9 62.935 61.733 1.202 1
1 76 . 1 1 1 A 9 9 PHE CB C 9 39.373 39.173 0.200 1
1 80 . 1 1 1 A 9 9 PHE N N 9 121.282 122.591 -1.309 1
1 81 . 1 1 1 A 10 10 GLU H H 10 9.741 8.212 1.529 1
1 82 . 1 1 1 A 10 10 GLU HA H 10 3.295 4.020 -0.725 1
1 87 . 1 1 1 A 10 10 GLU CA C 10 59.586 59.545 0.041 1
1 88 . 1 1 1 A 10 10 GLU CB C 10 28.453 29.177 -0.724 1
1 90 . 1 1 1 A 10 10 GLU N N 10 117.454 118.101 -0.647 1
1 91 . 1 1 1 A 11 11 THR H H 11 7.542 7.612 -0.070 1
1 92 . 1 1 1 A 11 11 THR HA H 11 3.667 3.957 -0.290 1
1 97 . 1 1 1 A 11 11 THR CA C 11 66.550 66.248 0.302 1
1 98 . 1 1 1 A 11 11 THR CB C 11 66.557 68.207 -1.650 1
1 100 . 1 1 1 A 11 11 THR N N 11 115.970 117.910 -1.940 1
1 101 . 1 1 1 A 12 12 ILE H H 12 7.724 7.651 0.073 1
1 102 . 1 1 1 A 12 12 ILE HA H 12 3.561 3.563 -0.002 1
1 112 . 1 1 1 A 12 12 ILE CA C 12 63.395 65.124 -1.729 1
1 113 . 1 1 1 A 12 12 ILE CB C 12 36.233 37.463 -1.230 1
1 117 . 1 1 1 A 12 12 ILE N N 12 122.235 122.086 0.149 1
1 118 . 1 1 1 A 13 13 ALA H H 13 9.099 7.334 1.765 1
1 119 . 1 1 1 A 13 13 ALA HA H 13 3.975 3.696 0.279 1
1 123 . 1 1 1 A 13 13 ALA CA C 13 55.666 54.598 1.068 1
1 124 . 1 1 1 A 13 13 ALA CB C 13 20.126 17.838 2.288 1
1 125 . 1 1 1 A 13 13 ALA N N 13 122.259 121.642 0.617 1
1 126 . 1 1 1 A 14 14 ARG H H 14 8.600 7.393 1.207 1
1 127 . 1 1 1 A 14 14 ARG HA H 14 4.097 3.756 0.341 1
1 134 . 1 1 1 A 14 14 ARG CA C 14 60.889 58.683 2.206 1
1 135 . 1 1 1 A 14 14 ARG CB C 14 29.000 29.491 -0.491 1
1 138 . 1 1 1 A 14 14 ARG N N 14 116.993 117.992 -0.999 1
1 139 . 1 1 1 A 15 15 GLU H H 15 7.924 7.730 0.194 1
1 140 . 1 1 1 A 15 15 GLU HA H 15 4.085 3.919 0.166 1
1 145 . 1 1 1 A 15 15 GLU CA C 15 59.312 59.375 -0.063 1
1 146 . 1 1 1 A 15 15 GLU CB C 15 29.866 29.162 0.704 1
1 148 . 1 1 1 A 15 15 GLU N N 15 122.758 118.045 4.713 1
1 149 . 1 1 1 A 16 16 TRP H H 16 8.864 7.210 1.654 1
1 150 . 1 1 1 A 16 16 TRP HA H 16 4.740 4.488 0.252 1
1 158 . 1 1 1 A 16 16 TRP CA C 16 60.839 58.885 1.954 1
1 159 . 1 1 1 A 16 16 TRP CB C 16 26.693 27.737 -1.044 1
1 163 . 1 1 1 A 16 16 TRP N N 16 122.323 118.927 3.396 1
1 165 . 1 1 1 A 17 17 HIS H H 17 8.803 6.943 1.860 1
1 166 . 1 1 1 A 17 17 HIS HA H 17 3.076 4.219 -1.143 1
1 170 . 1 1 1 A 17 17 HIS CA C 17 60.683 59.860 0.823 1
1 171 . 1 1 1 A 17 17 HIS CB C 17 30.772 29.067 1.705 1
1 173 . 1 1 1 A 17 17 HIS N N 17 121.293 121.056 0.237 1
1 174 . 1 1 1 A 18 18 GLU H H 18 7.897 8.892 -0.995 1
1 175 . 1 1 1 A 18 18 GLU HA H 18 3.837 4.121 -0.284 1
1 180 . 1 1 1 A 18 18 GLU CA C 18 57.506 58.431 -0.925 1
1 181 . 1 1 1 A 18 18 GLU CB C 18 29.421 27.944 1.477 1
1 183 . 1 1 1 A 18 18 GLU N N 18 118.162 116.812 1.350 1
1 184 . 1 1 1 A 19 19 SER H H 19 7.461 7.794 -0.333 1
1 185 . 1 1 1 A 19 19 SER HA H 19 4.150 4.253 -0.103 1
1 188 . 1 1 1 A 19 19 SER CA C 19 60.000 58.127 1.873 1
1 189 . 1 1 1 A 19 19 SER CB C 19 63.329 63.282 0.047 1
1 190 . 1 1 1 A 19 19 SER N N 19 112.802 114.543 -1.741 1
1 191 . 1 1 1 A 20 20 ASN H H 20 6.638 8.362 -1.724 1
1 192 . 1 1 1 A 20 20 ASN HA H 20 4.226 4.168 0.058 1
1 195 . 1 1 1 A 20 20 ASN CA C 20 53.211 53.761 -0.550 1
1 196 . 1 1 1 A 20 20 ASN CB C 20 37.021 36.840 0.181 1
1 197 . 1 1 1 A 20 20 ASN N N 20 121.098 118.442 2.656 1
1 198 . 1 1 1 A 21 21 LYS H H 21 8.010 7.894 0.116 1
1 199 . 1 1 1 A 21 21 LYS HA H 21 4.077 4.480 -0.403 1
1 208 . 1 1 1 A 21 21 LYS CA C 21 56.558 57.139 -0.581 1
1 209 . 1 1 1 A 21 21 LYS CB C 21 32.435 34.375 -1.940 1
1 213 . 1 1 1 A 21 21 LYS N N 21 122.666 126.600 -3.934 1
1 214 . 1 1 1 A 22 22 ARG H H 22 8.007 7.580 0.427 1
1 215 . 1 1 1 A 22 22 ARG HA H 22 4.257 4.497 -0.240 1
1 222 . 1 1 1 A 22 22 ARG CA C 22 56.480 54.787 1.693 1
1 223 . 1 1 1 A 22 22 ARG CB C 22 30.000 33.594 -3.594 1
1 226 . 1 1 1 A 22 22 ARG N N 22 117.459 117.791 -0.332 1
1 227 . 1 1 1 A 23 23 TRP H H 23 7.211 7.418 -0.207 1
1 228 . 1 1 1 A 23 23 TRP HA H 23 4.938 5.252 -0.314 1
1 237 . 1 1 1 A 23 23 TRP CA C 23 55.206 55.423 -0.217 1
1 238 . 1 1 1 A 23 23 TRP CB C 23 30.772 32.305 -1.533 1
1 244 . 1 1 1 A 23 23 TRP N N 23 118.844 122.553 -3.709 1
1 246 . 1 1 1 A 24 24 SER H H 24 8.764 9.219 -0.455 1
1 247 . 1 1 1 A 24 24 SER HA H 24 4.520 4.395 0.125 1
1 250 . 1 1 1 A 24 24 SER CA C 24 57.647 59.551 -1.904 1
1 251 . 1 1 1 A 24 24 SER CB C 24 64.419 63.567 0.852 1
1 252 . 1 1 1 A 24 24 SER N N 24 117.454 115.857 1.597 1
1 253 . 1 1 1 A 25 25 GLU H H 25 8.976 8.330 0.646 1
1 254 . 1 1 1 A 25 25 GLU HA H 25 4.076 4.144 -0.068 1
1 259 . 1 1 1 A 25 25 GLU CA C 25 59.360 58.859 0.501 1
1 260 . 1 1 1 A 25 25 GLU CB C 25 28.960 28.791 0.169 1
1 262 . 1 1 1 A 25 25 GLU N N 25 122.323 121.190 1.133 1
1 263 . 1 1 1 A 26 26 ASP H H 26 8.608 8.707 -0.099 1
1 264 . 1 1 1 A 26 26 ASP HA H 26 4.400 4.436 -0.036 1
1 267 . 1 1 1 A 26 26 ASP CA C 26 56.327 56.899 -0.572 1
1 268 . 1 1 1 A 26 26 ASP CB C 26 40.700 39.969 0.731 1
1 269 . 1 1 1 A 26 26 ASP N N 26 118.165 120.054 -1.889 1
1 270 . 1 1 1 A 27 27 HIS H H 27 7.891 8.019 -0.128 1
1 271 . 1 1 1 A 27 27 HIS HA H 27 4.247 4.256 -0.009 1
1 275 . 1 1 1 A 27 27 HIS CA C 27 58.271 59.024 -0.753 1
1 276 . 1 1 1 A 27 27 HIS CB C 27 30.483 29.854 0.629 1
1 278 . 1 1 1 A 27 27 HIS N N 27 120.183 119.167 1.016 1
1 279 . 1 1 1 A 28 28 ARG H H 28 8.676 8.255 0.421 1
1 280 . 1 1 1 A 28 28 ARG HA H 28 3.720 3.968 -0.248 1
1 287 . 1 1 1 A 28 28 ARG CA C 28 59.444 59.366 0.078 1
1 288 . 1 1 1 A 28 28 ARG CB C 28 30.315 29.779 0.536 1
1 291 . 1 1 1 A 28 28 ARG N N 28 118.156 118.674 -0.518 1
1 292 . 1 1 1 A 29 29 SER H H 29 8.359 7.963 0.396 1
1 293 . 1 1 1 A 29 29 SER HA H 29 4.295 4.049 0.246 1
1 296 . 1 1 1 A 29 29 SER CA C 29 60.916 61.635 -0.719 1
1 297 . 1 1 1 A 29 29 SER CB C 29 62.629 62.946 -0.317 1
1 298 . 1 1 1 A 29 29 SER N N 29 115.374 115.495 -0.121 1
1 299 . 1 1 1 A 30 30 ARG H H 30 7.860 7.265 0.595 1
1 300 . 1 1 1 A 30 30 ARG HA H 30 3.850 4.117 -0.267 1
1 307 . 1 1 1 A 30 30 ARG CA C 30 59.162 58.351 0.811 1
1 308 . 1 1 1 A 30 30 ARG CB C 30 30.171 29.856 0.315 1
1 311 . 1 1 1 A 30 30 ARG N N 30 124.066 121.763 2.303 1
1 312 . 1 1 1 A 31 31 VAL H H 31 7.928 7.685 0.243 1
1 313 . 1 1 1 A 31 31 VAL HA H 31 4.728 3.695 1.033 1
1 321 . 1 1 1 A 31 31 VAL CA C 31 66.054 65.748 0.306 1
1 322 . 1 1 1 A 31 31 VAL CB C 31 31.961 31.632 0.329 1
1 325 . 1 1 1 A 31 31 VAL N N 31 116.760 119.688 -2.928 1
1 326 . 1 1 1 A 32 32 LEU H H 32 7.314 7.952 -0.638 1
1 327 . 1 1 1 A 32 32 LEU HA H 32 3.867 4.000 -0.133 1
1 337 . 1 1 1 A 32 32 LEU CA C 32 57.406 58.260 -0.854 1
1 338 . 1 1 1 A 32 32 LEU CB C 32 40.912 41.629 -0.717 1
1 342 . 1 1 1 A 32 32 LEU N N 32 117.541 120.989 -3.448 1
1 343 . 1 1 1 A 33 33 ARG H H 33 7.914 8.062 -0.148 1
1 344 . 1 1 1 A 33 33 ARG HA H 33 4.070 3.987 0.083 1
1 351 . 1 1 1 A 33 33 ARG CA C 33 58.815 59.841 -1.026 1
1 352 . 1 1 1 A 33 33 ARG CB C 33 29.393 29.922 -0.529 1
1 355 . 1 1 1 A 33 33 ARG N N 33 118.510 119.392 -0.882 1
1 356 . 1 1 1 A 34 34 TYR H H 34 8.211 8.252 -0.041 1
1 357 . 1 1 1 A 34 34 TYR HA H 34 4.533 4.219 0.314 1
1 364 . 1 1 1 A 34 34 TYR CA C 34 59.593 61.288 -1.695 1
1 365 . 1 1 1 A 34 34 TYR CB C 34 37.021 38.917 -1.896 1
1 368 . 1 1 1 A 34 34 TYR N N 34 116.416 121.258 -4.842 1
1 369 . 1 1 1 A 35 35 LEU H H 35 7.904 8.502 -0.598 1
1 370 . 1 1 1 A 35 35 LEU HA H 35 3.670 3.949 -0.279 1
1 380 . 1 1 1 A 35 35 LEU CA C 35 57.967 58.154 -0.187 1
1 381 . 1 1 1 A 35 35 LEU CB C 35 40.740 41.867 -1.127 1
1 385 . 1 1 1 A 35 35 LEU N N 35 118.885 121.352 -2.467 1
1 386 . 1 1 1 A 36 36 GLU H H 36 8.662 8.500 0.162 1
1 387 . 1 1 1 A 36 36 GLU HA H 36 3.993 3.951 0.042 1
1 392 . 1 1 1 A 36 36 GLU CA C 36 59.749 59.355 0.394 1
1 393 . 1 1 1 A 36 36 GLU CB C 36 29.887 29.258 0.629 1
1 395 . 1 1 1 A 36 36 GLU N N 36 120.936 117.847 3.089 1
1 396 . 1 1 1 A 37 37 LEU H H 37 8.195 7.457 0.738 1
1 397 . 1 1 1 A 37 37 LEU HA H 37 3.979 3.991 -0.012 1
1 407 . 1 1 1 A 37 37 LEU CA C 37 56.947 57.646 -0.699 1
1 408 . 1 1 1 A 37 37 LEU CB C 37 42.936 41.867 1.069 1
1 412 . 1 1 1 A 37 37 LEU N N 37 116.413 121.428 -5.015 1
1 413 . 1 1 1 A 38 38 TYR H H 38 7.663 7.311 0.352 1
1 414 . 1 1 1 A 38 38 TYR HA H 38 4.951 4.282 0.669 1
1 421 . 1 1 1 A 38 38 TYR CA C 38 58.581 60.357 -1.776 1
1 422 . 1 1 1 A 38 38 TYR CB C 38 41.068 39.445 1.623 1
1 425 . 1 1 1 A 38 38 TYR N N 38 110.509 116.602 -6.093 1
1 426 . 1 1 1 A 39 39 ILE H H 39 7.833 8.155 -0.322 1
1 427 . 1 1 1 A 39 39 ILE HA H 39 4.642 3.758 0.884 1
1 437 . 1 1 1 A 39 39 ILE CA C 39 60.000 62.623 -2.623 1
1 438 . 1 1 1 A 39 39 ILE CB C 39 37.111 38.020 -0.909 1
1 442 . 1 1 1 A 39 39 ILE N N 39 116.068 121.523 -5.455 1
1 443 . 1 1 1 A 40 40 PHE H H 40 9.117 7.408 1.709 1
1 444 . 1 1 1 A 40 40 PHE HA H 40 4.634 5.069 -0.435 1
1 452 . 1 1 1 A 40 40 PHE CA C 40 57.492 54.858 2.634 1
1 453 . 1 1 1 A 40 40 PHE CB C 40 34.374 38.723 -4.349 1
1 457 . 1 1 1 A 40 40 PHE N N 40 121.241 119.261 1.980 1
1 458 . 1 1 1 A 41 41 PRO HA H 41 4.388 4.299 0.089 1
1 465 . 1 1 1 A 41 41 PRO CA C 41 66.132 65.712 0.420 1
1 466 . 1 1 1 A 41 41 PRO CB C 41 31.261 31.553 -0.292 1
1 469 . 1 1 1 A 42 42 HIS H H 42 7.153 7.758 -0.605 1
1 470 . 1 1 1 A 42 42 HIS HA H 42 4.678 4.587 0.091 1
1 474 . 1 1 1 A 42 42 HIS CA C 42 57.336 57.327 0.009 1
1 475 . 1 1 1 A 42 42 HIS CB C 42 32.895 30.385 2.510 1
1 477 . 1 1 1 A 42 42 HIS N N 42 111.205 116.030 -4.825 1
1 478 . 1 1 1 A 43 43 ILE H H 43 7.327 7.493 -0.166 1
1 479 . 1 1 1 A 43 43 ILE HA H 43 4.938 4.399 0.539 1
1 489 . 1 1 1 A 43 43 ILE CA C 43 60.527 60.342 0.185 1
1 490 . 1 1 1 A 43 43 ILE CB C 43 40.445 38.058 2.387 1
1 494 . 1 1 1 A 43 43 ILE N N 43 105.996 112.622 -6.626 1
1 495 . 1 1 1 A 44 44 GLY H H 44 8.958 8.300 0.658 1
1 496 . 1 1 1 A 44 44 GLY HA2 H 44 4.340 3.867 0.473 1
1 497 . 1 1 1 A 44 44 GLY HA3 H 44 3.855 3.934 -0.079 1
1 498 . 1 1 1 A 44 44 GLY CA C 44 48.385 45.780 2.605 1
1 499 . 1 1 1 A 44 44 GLY N N 44 110.704 112.592 -1.888 1
1 500 . 1 1 1 A 45 45 SER H H 45 8.294 7.991 0.303 1
1 501 . 1 1 1 A 45 45 SER HA H 45 4.517 4.578 -0.061 1
1 504 . 1 1 1 A 45 45 SER CA C 45 58.270 58.189 0.081 1
1 505 . 1 1 1 A 45 45 SER CB C 45 63.563 63.742 -0.179 1
1 506 . 1 1 1 A 45 45 SER N N 45 110.505 114.818 -4.313 1
1 507 . 1 1 1 A 46 46 SER H H 46 7.689 7.084 0.605 1
1 508 . 1 1 1 A 46 46 SER HA H 46 4.322 4.824 -0.502 1
1 511 . 1 1 1 A 46 46 SER CA C 46 59.282 57.261 2.021 1
1 512 . 1 1 1 A 46 46 SER CB C 46 63.719 65.799 -2.080 1
1 513 . 1 1 1 A 46 46 SER N N 46 119.190 118.606 0.584 1
1 514 . 1 1 1 A 47 47 ASP H H 47 8.646 8.714 -0.068 1
1 515 . 1 1 1 A 47 47 ASP HA H 47 4.446 4.793 -0.347 1
1 518 . 1 1 1 A 47 47 ASP CA C 47 54.145 53.902 0.243 1
1 519 . 1 1 1 A 47 47 ASP CB C 47 41.652 42.321 -0.669 1
1 520 . 1 1 1 A 47 47 ASP N N 47 124.868 124.081 0.787 1
1 521 . 1 1 1 A 48 48 ILE H H 48 9.406 8.567 0.839 1
1 522 . 1 1 1 A 48 48 ILE HA H 48 4.091 3.992 0.099 1
1 532 . 1 1 1 A 48 48 ILE CA C 48 63.844 63.115 0.729 1
1 533 . 1 1 1 A 48 48 ILE CB C 48 39.845 38.056 1.789 1
1 537 . 1 1 1 A 48 48 ILE N N 48 129.573 125.756 3.817 1
1 538 . 1 1 1 A 49 49 ARG H H 49 9.004 8.169 0.835 1
1 539 . 1 1 1 A 49 49 ARG HA H 49 4.166 4.446 -0.280 1
1 546 . 1 1 1 A 49 49 ARG CA C 49 57.534 56.527 1.007 1
1 547 . 1 1 1 A 49 49 ARG CB C 49 29.870 30.548 -0.678 1
1 548 . 1 1 1 A 49 49 ARG N N 49 119.541 120.542 -1.001 1
1 549 . 1 1 1 A 50 50 GLN H H 50 7.868 7.692 0.176 1
1 550 . 1 1 1 A 50 50 GLN HA H 50 4.498 4.581 -0.083 1
1 557 . 1 1 1 A 50 50 GLN CA C 50 54.633 54.884 -0.251 1
1 558 . 1 1 1 A 50 50 GLN CB C 50 29.548 28.802 0.746 1
1 560 . 1 1 1 A 50 50 GLN N N 50 114.374 120.679 -6.305 1
1 562 . 1 1 1 A 51 51 LEU H H 51 6.799 8.721 -1.922 1
1 563 . 1 1 1 A 51 51 LEU HA H 51 4.516 4.841 -0.325 1
1 573 . 1 1 1 A 51 51 LEU CA C 51 54.519 53.590 0.929 1
1 574 . 1 1 1 A 51 51 LEU CB C 51 43.014 43.976 -0.962 1
1 578 . 1 1 1 A 51 51 LEU N N 51 119.548 125.647 -6.099 1
1 579 . 1 1 1 A 52 52 LYS H H 52 10.373 8.583 1.790 1
1 580 . 1 1 1 A 52 52 LYS HA H 52 4.725 4.858 -0.133 1
1 589 . 1 1 1 A 52 52 LYS CA C 52 53.806 54.211 -0.405 1
1 590 . 1 1 1 A 52 52 LYS CB C 52 34.394 35.862 -1.468 1
1 594 . 1 1 1 A 52 52 LYS N N 52 125.943 119.662 6.281 1
1 595 . 1 1 1 A 53 53 THR H H 53 8.724 8.609 0.115 1
1 596 . 1 1 1 A 53 53 THR HA H 53 4.727 4.809 -0.082 1
1 601 . 1 1 1 A 53 53 THR CA C 53 57.570 61.645 -4.075 1
1 602 . 1 1 1 A 53 53 THR CB C 53 68.467 69.496 -1.029 1
1 604 . 1 1 1 A 53 53 THR N N 53 117.533 115.364 2.169 1
1 605 . 1 1 1 A 54 54 SER H H 54 8.416 8.947 -0.531 1
1 606 . 1 1 1 A 54 54 SER HA H 54 4.743 4.487 0.256 1
1 609 . 1 1 1 A 54 54 SER CA C 54 61.306 59.291 2.015 1
1 610 . 1 1 1 A 54 54 SER CB C 54 61.132 62.717 -1.585 1
1 611 . 1 1 1 A 54 54 SER N N 54 112.941 117.924 -4.983 1
1 612 . 1 1 1 A 55 55 HIS H H 55 7.077 7.920 -0.843 1
1 613 . 1 1 1 A 55 55 HIS HA H 55 4.425 4.340 0.085 1
1 617 . 1 1 1 A 55 55 HIS CA C 55 58.659 59.394 -0.735 1
1 618 . 1 1 1 A 55 55 HIS CB C 55 33.051 30.154 2.897 1
1 620 . 1 1 1 A 55 55 HIS N N 55 120.680 120.006 0.674 1
1 621 . 1 1 1 A 56 56 LEU H H 56 7.410 7.457 -0.047 1
1 622 . 1 1 1 A 56 56 LEU HA H 56 3.916 4.032 -0.116 1
1 632 . 1 1 1 A 56 56 LEU CA C 56 56.558 57.389 -0.831 1
1 633 . 1 1 1 A 56 56 LEU CB C 56 42.547 41.568 0.979 1
1 637 . 1 1 1 A 56 56 LEU N N 56 115.029 116.179 -1.150 1
1 638 . 1 1 1 A 57 57 LEU H H 57 7.906 7.833 0.073 1
1 639 . 1 1 1 A 57 57 LEU HA H 57 4.073 4.109 -0.036 1
1 649 . 1 1 1 A 57 57 LEU CA C 57 56.047 57.223 -1.176 1
1 650 . 1 1 1 A 57 57 LEU CB C 57 42.575 41.362 1.213 1
1 654 . 1 1 1 A 57 57 LEU N N 57 113.214 121.577 -8.363 1
1 655 . 1 1 1 A 58 58 ALA H H 58 7.367 7.865 -0.498 1
1 656 . 1 1 1 A 58 58 ALA HA H 58 4.176 3.987 0.189 1
1 660 . 1 1 1 A 58 58 ALA CA C 58 57.049 57.255 -0.206 1
1 661 . 1 1 1 A 58 58 ALA CB C 58 15.362 17.050 -1.688 1
1 662 . 1 1 1 A 58 58 ALA N N 58 120.662 121.805 -1.143 1
1 663 . 1 1 1 A 59 59 PRO HA H 59 4.133 4.321 -0.188 1
1 670 . 1 1 1 A 59 59 PRO CA C 59 65.120 65.341 -0.221 1
1 671 . 1 1 1 A 59 59 PRO CB C 59 31.183 30.976 0.207 1
1 674 . 1 1 1 A 60 60 ILE H H 60 6.643 7.503 -0.860 1
1 675 . 1 1 1 A 60 60 ILE HA H 60 3.383 3.896 -0.513 1
1 685 . 1 1 1 A 60 60 ILE CA C 60 64.886 63.714 1.172 1
1 686 . 1 1 1 A 60 60 ILE CB C 60 37.799 36.827 0.972 1
1 690 . 1 1 1 A 60 60 ILE N N 60 117.809 116.619 1.190 1
1 691 . 1 1 1 A 61 61 LYS H H 61 8.635 7.957 0.678 1
1 692 . 1 1 1 A 61 61 LYS HA H 61 3.992 4.012 -0.020 1
1 701 . 1 1 1 A 61 61 LYS CA C 61 59.048 59.091 -0.043 1
1 702 . 1 1 1 A 61 61 LYS CB C 61 31.678 31.793 -0.115 1
1 706 . 1 1 1 A 61 61 LYS N N 61 120.585 123.326 -2.741 1
1 707 . 1 1 1 A 62 62 GLU H H 62 7.664 7.788 -0.124 1
1 708 . 1 1 1 A 62 62 GLU HA H 62 3.992 4.072 -0.080 1
1 713 . 1 1 1 A 62 62 GLU CA C 62 59.593 59.278 0.315 1
1 714 . 1 1 1 A 62 62 GLU CB C 62 28.975 29.596 -0.621 1
1 716 . 1 1 1 A 62 62 GLU N N 62 118.505 118.950 -0.445 1
1 717 . 1 1 1 A 63 63 VAL H H 63 7.227 8.093 -0.866 1
1 718 . 1 1 1 A 63 63 VAL HA H 63 3.545 3.928 -0.383 1
1 726 . 1 1 1 A 63 63 VAL CA C 63 65.663 64.433 1.230 1
1 727 . 1 1 1 A 63 63 VAL CB C 63 31.650 31.583 0.067 1
1 730 . 1 1 1 A 63 63 VAL N N 63 119.540 119.173 0.367 1
1 731 . 1 1 1 A 64 64 ASP H H 64 8.281 8.087 0.194 1
1 732 . 1 1 1 A 64 64 ASP HA H 64 3.984 4.386 -0.402 1
1 735 . 1 1 1 A 64 64 ASP CA C 64 58.860 57.450 1.410 1
1 736 . 1 1 1 A 64 64 ASP CB C 64 42.561 41.756 0.805 1
1 737 . 1 1 1 A 64 64 ASP N N 64 122.316 121.796 0.520 1
1 738 . 1 1 1 A 65 65 THR H H 65 8.818 8.004 0.814 1
1 739 . 1 1 1 A 65 65 THR HA H 65 4.310 3.994 0.316 1
1 744 . 1 1 1 A 65 65 THR CA C 65 68.825 65.823 3.002 1
1 745 . 1 1 1 A 65 65 THR CB C 65 65.195 68.427 -3.232 1
1 747 . 1 1 1 A 65 65 THR N N 65 112.808 116.402 -3.594 1
1 748 . 1 1 1 A 66 66 SER H H 66 7.596 7.484 0.112 1
1 749 . 1 1 1 A 66 66 SER HA H 66 4.469 4.495 -0.026 1
1 752 . 1 1 1 A 66 66 SER CA C 66 59.827 58.509 1.318 1
1 753 . 1 1 1 A 66 66 SER CB C 66 63.641 63.586 0.055 1
1 754 . 1 1 1 A 66 66 SER N N 66 116.412 114.028 2.384 1
1 755 . 1 1 1 A 67 67 GLY H H 67 7.781 7.789 -0.008 1
1 756 . 1 1 1 A 67 67 GLY HA2 H 67 4.467 3.935 0.532 1
1 757 . 1 1 1 A 67 67 GLY HA3 H 67 3.355 3.939 -0.584 1
1 758 . 1 1 1 A 67 67 GLY CA C 67 44.337 45.240 -0.903 1
1 759 . 1 1 1 A 67 67 GLY N N 67 108.565 109.239 -0.674 1
1 760 . 1 1 1 A 68 68 LYS H H 68 6.932 8.022 -1.090 1
1 761 . 1 1 1 A 68 68 LYS HA H 68 4.706 4.552 0.154 1
1 770 . 1 1 1 A 68 68 LYS CA C 68 54.145 56.061 -1.916 1
1 771 . 1 1 1 A 68 68 LYS CB C 68 30.325 32.549 -2.224 1
1 775 . 1 1 1 A 68 68 LYS N N 68 121.979 119.731 2.248 1
1 776 . 1 1 1 A 69 69 HIS H H 69 7.630 8.431 -0.801 1
1 777 . 1 1 1 A 69 69 HIS HA H 69 4.544 4.262 0.282 1
1 780 . 1 1 1 A 69 69 HIS CA C 69 58.270 59.040 -0.770 1
1 781 . 1 1 1 A 69 69 HIS CB C 69 28.303 28.907 -0.604 1
1 782 . 1 1 1 A 69 69 HIS N N 69 119.617 118.990 0.627 1
1 783 . 1 1 1 A 70 70 ASP H H 70 8.779 8.005 0.774 1
1 784 . 1 1 1 A 70 70 ASP HA H 70 4.330 4.006 0.324 1
1 787 . 1 1 1 A 70 70 ASP CA C 70 56.869 57.122 -0.253 1
1 788 . 1 1 1 A 70 70 ASP CB C 70 39.433 41.305 -1.872 1
1 789 . 1 1 1 A 70 70 ASP N N 70 118.586 121.593 -3.007 1
1 790 . 1 1 1 A 71 71 VAL H H 71 7.575 7.990 -0.415 1
1 791 . 1 1 1 A 71 71 VAL HA H 71 3.232 3.900 -0.668 1
1 799 . 1 1 1 A 71 71 VAL CA C 71 66.131 63.615 2.516 1
1 800 . 1 1 1 A 71 71 VAL CB C 71 31.105 31.785 -0.680 1
1 803 . 1 1 1 A 71 71 VAL N N 71 121.186 116.974 4.212 1
1 804 . 1 1 1 A 72 72 ALA H H 72 8.022 8.257 -0.235 1
1 805 . 1 1 1 A 72 72 ALA HA H 72 3.682 3.916 -0.234 1
1 809 . 1 1 1 A 72 72 ALA CA C 72 55.702 55.740 -0.038 1
1 810 . 1 1 1 A 72 72 ALA CB C 72 18.028 18.303 -0.275 1
1 811 . 1 1 1 A 72 72 ALA N N 72 120.675 124.248 -3.573 1
1 812 . 1 1 1 A 73 73 GLN H H 73 7.793 7.996 -0.203 1
1 813 . 1 1 1 A 73 73 GLN HA H 73 3.971 3.971 0.000 1
1 820 . 1 1 1 A 73 73 GLN CA C 73 58.872 58.902 -0.030 1
1 821 . 1 1 1 A 73 73 GLN CB C 73 28.073 28.590 -0.517 1
1 823 . 1 1 1 A 73 73 GLN N N 73 115.949 117.619 -1.670 1
1 825 . 1 1 1 A 74 74 ARG H H 74 7.795 7.632 0.163 1
1 826 . 1 1 1 A 74 74 ARG HA H 74 4.108 4.071 0.037 1
1 833 . 1 1 1 A 74 74 ARG CA C 74 59.282 59.084 0.198 1
1 834 . 1 1 1 A 74 74 ARG CB C 74 29.857 30.121 -0.264 1
1 837 . 1 1 1 A 74 74 ARG N N 74 119.896 119.797 0.099 1
1 838 . 1 1 1 A 75 75 LEU H H 75 8.850 8.424 0.426 1
1 839 . 1 1 1 A 75 75 LEU HA H 75 3.935 4.013 -0.078 1
1 849 . 1 1 1 A 75 75 LEU CA C 75 57.803 57.880 -0.077 1
1 850 . 1 1 1 A 75 75 LEU CB C 75 42.858 41.548 1.310 1
1 854 . 1 1 1 A 75 75 LEU N N 75 118.044 120.072 -2.028 1
1 855 . 1 1 1 A 76 76 GLN H H 76 8.412 8.657 -0.245 1
1 856 . 1 1 1 A 76 76 GLN HA H 76 3.790 4.047 -0.257 1
1 861 . 1 1 1 A 76 76 GLN CA C 76 60.294 58.691 1.603 1
1 862 . 1 1 1 A 76 76 GLN CB C 76 27.995 28.564 -0.569 1
1 864 . 1 1 1 A 76 76 GLN N N 76 119.109 117.453 1.656 1
1 865 . 1 1 1 A 77 77 GLN H H 77 7.788 8.012 -0.224 1
1 866 . 1 1 1 A 77 77 GLN HA H 77 4.090 3.997 0.093 1
1 873 . 1 1 1 A 77 77 GLN CA C 77 59.318 58.639 0.679 1
1 874 . 1 1 1 A 77 77 GLN CB C 77 28.054 28.379 -0.325 1
1 876 . 1 1 1 A 77 77 GLN N N 77 119.616 119.082 0.534 1
1 878 . 1 1 1 A 78 78 ARG H H 78 8.552 7.875 0.677 1
1 879 . 1 1 1 A 78 78 ARG HA H 78 4.171 4.169 0.002 1
1 886 . 1 1 1 A 78 78 ARG CA C 78 57.946 59.452 -1.506 1
1 887 . 1 1 1 A 78 78 ARG CB C 78 28.958 29.948 -0.990 1
1 890 . 1 1 1 A 78 78 ARG N N 78 118.044 121.076 -3.032 1
1 891 . 1 1 1 A 79 79 VAL H H 79 8.958 7.931 1.027 1
1 892 . 1 1 1 A 79 79 VAL HA H 79 3.603 4.362 -0.759 1
1 900 . 1 1 1 A 79 79 VAL CA C 79 67.284 65.300 1.984 1
1 901 . 1 1 1 A 79 79 VAL CB C 79 31.228 31.637 -0.409 1
1 904 . 1 1 1 A 79 79 VAL N N 79 116.998 119.056 -2.058 1
1 905 . 1 1 1 A 80 80 THR H H 80 7.938 8.367 -0.429 1
1 906 . 1 1 1 A 80 80 THR HA H 80 4.301 3.889 0.412 1
1 911 . 1 1 1 A 80 80 THR CA C 80 67.976 66.685 1.291 1
1 912 . 1 1 1 A 80 80 THR CB C 80 67.466 68.657 -1.191 1
1 914 . 1 1 1 A 80 80 THR N N 80 115.701 117.238 -1.537 1
1 915 . 1 1 1 A 81 81 ALA H H 81 7.656 7.799 -0.143 1
1 916 . 1 1 1 A 81 81 ALA HA H 81 4.070 3.953 0.117 1
1 920 . 1 1 1 A 81 81 ALA CA C 81 55.232 54.992 0.240 1
1 921 . 1 1 1 A 81 81 ALA CB C 81 18.087 18.335 -0.248 1
1 922 . 1 1 1 A 81 81 ALA N N 81 124.407 123.781 0.626 1
1 923 . 1 1 1 A 82 82 ILE H H 82 7.901 8.110 -0.209 1
1 924 . 1 1 1 A 82 82 ILE HA H 82 2.733 3.937 -1.204 1
1 934 . 1 1 1 A 82 82 ILE CA C 82 65.450 65.180 0.270 1
1 935 . 1 1 1 A 82 82 ILE CB C 82 37.569 37.696 -0.127 1
1 939 . 1 1 1 A 82 82 ILE N N 82 121.196 118.243 2.953 1
1 940 . 1 1 1 A 83 83 MET H H 83 8.258 8.555 -0.297 1
1 941 . 1 1 1 A 83 83 MET HA H 83 4.556 4.260 0.296 1
1 949 . 1 1 1 A 83 83 MET CA C 83 56.403 58.173 -1.770 1
1 950 . 1 1 1 A 83 83 MET CB C 83 29.782 32.010 -2.228 1
1 953 . 1 1 1 A 83 83 MET N N 83 120.154 120.977 -0.823 1
1 954 . 1 1 1 A 84 84 ARG H H 84 7.915 7.620 0.295 1
1 955 . 1 1 1 A 84 84 ARG HA H 84 4.039 3.922 0.117 1
1 962 . 1 1 1 A 84 84 ARG CA C 84 59.749 59.402 0.347 1
1 963 . 1 1 1 A 84 84 ARG CB C 84 30.000 29.478 0.522 1
1 966 . 1 1 1 A 84 84 ARG N N 84 116.534 119.284 -2.750 1
1 967 . 1 1 1 A 85 85 TYR H H 85 8.221 7.656 0.565 1
1 968 . 1 1 1 A 85 85 TYR HA H 85 4.255 4.224 0.031 1
1 975 . 1 1 1 A 85 85 TYR CA C 85 61.382 61.071 0.311 1
1 976 . 1 1 1 A 85 85 TYR CB C 85 38.499 37.609 0.890 1
1 979 . 1 1 1 A 85 85 TYR N N 85 122.313 119.669 2.644 1
1 980 . 1 1 1 A 86 86 ALA H H 86 8.804 8.474 0.330 1
1 981 . 1 1 1 A 86 86 ALA HA H 86 4.223 3.828 0.395 1
1 985 . 1 1 1 A 86 86 ALA CA C 86 55.043 54.898 0.145 1
1 986 . 1 1 1 A 86 86 ALA CB C 86 18.087 17.900 0.187 1
1 987 . 1 1 1 A 86 86 ALA N N 86 123.291 122.928 0.363 1
1 988 . 1 1 1 A 87 87 VAL H H 87 8.113 7.838 0.275 1
1 989 . 1 1 1 A 87 87 VAL HA H 87 4.170 3.468 0.702 1
1 997 . 1 1 1 A 87 87 VAL CA C 87 65.146 66.866 -1.720 1
1 998 . 1 1 1 A 87 87 VAL CB C 87 31.897 31.470 0.427 1
1 1001 . 1 1 1 A 87 87 VAL N N 87 120.144 117.998 2.146 1
1 1002 . 1 1 1 A 88 88 GLN H H 88 8.458 7.961 0.497 1
1 1003 . 1 1 1 A 88 88 GLN HA H 88 3.983 4.014 -0.031 1
1 1010 . 1 1 1 A 88 88 GLN CA C 88 58.270 58.625 -0.355 1
1 1011 . 1 1 1 A 88 88 GLN CB C 88 28.075 28.437 -0.362 1
1 1013 . 1 1 1 A 88 88 GLN N N 88 120.751 119.813 0.938 1
1 1015 . 1 1 1 A 89 89 ASN H H 89 7.359 8.259 -0.900 1
1 1016 . 1 1 1 A 89 89 ASN HA H 89 4.486 4.918 -0.432 1
1 1021 . 1 1 1 A 89 89 ASN CA C 89 53.444 52.889 0.555 1
1 1022 . 1 1 1 A 89 89 ASN CB C 89 38.932 38.455 0.477 1
1 1023 . 1 1 1 A 89 89 ASN N N 89 113.850 115.027 -1.177 1
1 1025 . 1 1 1 A 90 90 ASP H H 90 7.849 8.074 -0.225 1
1 1026 . 1 1 1 A 90 90 ASP HA H 90 4.387 4.363 0.024 1
1 1029 . 1 1 1 A 90 90 ASP CA C 90 55.935 55.437 0.498 1
1 1030 . 1 1 1 A 90 90 ASP CB C 90 38.811 38.914 -0.103 1
1 1031 . 1 1 1 A 90 90 ASP N N 90 113.293 116.632 -3.339 1
1 1032 . 1 1 1 A 91 91 TYR H H 91 8.489 7.876 0.613 1
1 1033 . 1 1 1 A 91 91 TYR HA H 91 4.589 4.578 0.011 1
1 1040 . 1 1 1 A 91 91 TYR CA C 91 60.000 58.363 1.637 1
1 1041 . 1 1 1 A 91 91 TYR CB C 91 38.811 39.338 -0.527 1
1 1044 . 1 1 1 A 91 91 TYR N N 91 116.072 115.352 0.720 1
1 1045 . 1 1 1 A 92 92 ILE H H 92 7.131 7.400 -0.269 1
1 1046 . 1 1 1 A 92 92 ILE HA H 92 4.684 4.387 0.297 1
1 1056 . 1 1 1 A 92 92 ILE CA C 92 59.126 60.906 -1.780 1
1 1057 . 1 1 1 A 92 92 ILE CB C 92 41.846 39.917 1.929 1
1 1061 . 1 1 1 A 92 92 ILE N N 92 107.409 115.092 -7.683 1
1 1062 . 1 1 1 A 93 93 ASP H H 93 8.731 8.266 0.465 1
1 1063 . 1 1 1 A 93 93 ASP HA H 93 4.707 4.556 0.151 1
1 1066 . 1 1 1 A 93 93 ASP CA C 93 54.689 56.128 -1.439 1
1 1067 . 1 1 1 A 93 93 ASP CB C 93 41.924 40.512 1.412 1
1 1068 . 1 1 1 A 93 93 ASP N N 93 118.847 122.559 -3.712 1
1 1069 . 1 1 1 A 94 94 SER H H 94 7.638 8.348 -0.710 1
1 1070 . 1 1 1 A 94 94 SER HA H 94 4.491 4.729 -0.238 1
1 1073 . 1 1 1 A 94 94 SER CA C 94 57.102 56.669 0.433 1
1 1074 . 1 1 1 A 94 94 SER CB C 94 64.186 65.072 -0.886 1
1 1075 . 1 1 1 A 94 94 SER N N 94 112.240 116.411 -4.171 1
1 1076 . 1 1 1 A 95 95 ASN H H 95 8.801 8.598 0.203 1
1 1077 . 1 1 1 A 95 95 ASN HA H 95 4.942 5.274 -0.332 1
1 1082 . 1 1 1 A 95 95 ASN CA C 95 49.941 49.976 -0.035 1
1 1083 . 1 1 1 A 95 95 ASN CB C 95 39.356 39.526 -0.170 1
1 1084 . 1 1 1 A 95 95 ASN N N 95 119.551 122.744 -3.193 1
1 1086 . 1 1 1 A 96 96 PRO HA H 96 4.632 4.383 0.249 1
1 1093 . 1 1 1 A 96 96 PRO CA C 96 63.564 65.727 -2.163 1
1 1094 . 1 1 1 A 96 96 PRO CB C 96 32.058 31.673 0.385 1
1 1097 . 1 1 1 A 97 97 ALA H H 97 8.335 8.129 0.206 1
1 1098 . 1 1 1 A 97 97 ALA HA H 97 4.436 4.496 -0.060 1
1 1102 . 1 1 1 A 97 97 ALA CA C 97 52.055 50.887 1.168 1
1 1103 . 1 1 1 A 97 97 ALA CB C 97 18.998 18.219 0.779 1
1 1104 . 1 1 1 A 97 97 ALA N N 97 121.226 119.789 1.437 1
1 1105 . 1 1 1 A 98 98 SER H H 98 7.600 8.921 -1.321 1
1 1106 . 1 1 1 A 98 98 SER HA H 98 4.168 4.723 -0.555 1
1 1109 . 1 1 1 A 98 98 SER CA C 98 60.372 60.791 -0.419 1
1 1110 . 1 1 1 A 98 98 SER CB C 98 63.018 63.182 -0.164 1
1 1111 . 1 1 1 A 98 98 SER N N 98 114.935 119.364 -4.429 1
1 1112 . 1 1 1 A 99 99 ASP H H 99 8.098 7.957 0.141 1
1 1113 . 1 1 1 A 99 99 ASP HA H 99 4.760 4.907 -0.147 1
1 1116 . 1 1 1 A 99 99 ASP CA C 99 54.300 55.977 -1.677 1
1 1117 . 1 1 1 A 99 99 ASP CB C 99 40.835 42.763 -1.928 1
1 1118 . 1 1 1 A 99 99 ASP N N 99 119.889 120.020 -0.131 1
1 1119 . 1 1 1 A 100 100 MET H H 100 7.885 8.059 -0.174 1
1 1120 . 1 1 1 A 100 100 MET HA H 100 4.205 4.238 -0.033 1
1 1128 . 1 1 1 A 100 100 MET CA C 100 57.025 56.321 0.704 1
1 1129 . 1 1 1 A 100 100 MET CB C 100 33.038 31.358 1.680 1
1 1132 . 1 1 1 A 100 100 MET N N 100 119.185 117.701 1.484 1
1 1133 . 1 1 1 A 101 101 ALA H H 101 8.041 8.346 -0.305 1
1 1134 . 1 1 1 A 101 101 ALA HA H 101 4.137 3.966 0.171 1
1 1138 . 1 1 1 A 101 101 ALA CA C 101 53.655 53.190 0.465 1
1 1139 . 1 1 1 A 101 101 ALA CB C 101 18.537 17.218 1.319 1
1 1140 . 1 1 1 A 101 101 ALA N N 101 122.264 120.327 1.937 1
1 1141 . 1 1 1 A 102 102 GLY H H 102 8.293 8.228 0.065 1
1 1142 . 1 1 1 A 102 102 GLY HA2 H 102 3.910 3.849 0.061 1
1 1143 . 1 1 1 A 102 102 GLY HA3 H 102 3.913 3.850 0.063 1
1 1144 . 1 1 1 A 102 102 GLY CA C 102 45.664 45.861 -0.197 1
1 1145 . 1 1 1 A 102 102 GLY N N 102 107.557 105.244 2.313 1
1 1146 . 1 1 1 A 103 103 ALA H H 103 7.955 8.729 -0.774 1
1 1147 . 1 1 1 A 103 103 ALA HA H 103 4.235 3.997 0.238 1
1 1151 . 1 1 1 A 103 103 ALA CA C 103 53.423 52.819 0.604 1
1 1152 . 1 1 1 A 103 103 ALA CB C 103 19.219 17.693 1.526 1
1 1153 . 1 1 1 A 103 103 ALA N N 103 123.285 123.908 -0.623 1
1 1154 . 1 1 1 A 104 104 LEU H H 104 8.145 8.190 -0.045 1
1 1155 . 1 1 1 A 104 104 LEU HA H 104 4.301 4.306 -0.005 1
1 1165 . 1 1 1 A 104 104 LEU CA C 104 55.312 57.424 -2.112 1
1 1166 . 1 1 1 A 104 104 LEU CB C 104 41.644 42.405 -0.761 1
1 1170 . 1 1 1 A 104 104 LEU N N 104 118.570 125.784 -7.214 1
1 1171 . 1 1 1 A 105 105 SER H H 105 8.040 7.876 0.164 1
1 1172 . 1 1 1 A 105 105 SER HA H 105 4.390 4.783 -0.393 1
1 1175 . 1 1 1 A 105 105 SER CA C 105 58.893 59.423 -0.530 1
1 1176 . 1 1 1 A 105 105 SER CB C 105 63.424 64.449 -1.025 1
1 1177 . 1 1 1 A 105 105 SER N N 105 115.022 112.152 2.870 1
1 1178 . 1 1 1 A 106 106 THR H H 106 8.032 7.881 0.151 1
1 1179 . 1 1 1 A 106 106 THR HA H 106 4.293 4.609 -0.316 1
1 1184 . 1 1 1 A 106 106 THR CA C 106 62.037 61.028 1.009 1
1 1185 . 1 1 1 A 106 106 THR CB C 106 69.401 69.533 -0.132 1
1 1187 . 1 1 1 A 106 106 THR N N 106 115.371 112.313 3.058 1
1 1188 . 1 1 1 A 107 107 THR H H 107 7.940 8.709 -0.769 1
1 1189 . 1 1 1 A 107 107 THR HA H 107 4.296 4.533 -0.237 1
1 1194 . 1 1 1 A 107 107 THR CA C 107 61.539 61.347 0.192 1
1 1195 . 1 1 1 A 107 107 THR CB C 107 61.610 69.607 -7.997 1
1 1197 . 1 1 1 A 107 107 THR N N 107 122.759 119.010 3.749 1
1 1198 . 1 1 1 A 108 108 LYS H H 108 8.240 8.849 -0.609 1
1 1199 . 1 1 1 A 108 108 LYS HA H 108 4.241 4.596 -0.355 1
1 1208 . 1 1 1 A 108 108 LYS CA C 108 56.324 55.301 1.023 1
1 1209 . 1 1 1 A 108 108 LYS CB C 108 32.817 34.661 -1.844 1
1 1213 . 1 1 1 A 108 108 LYS N N 108 124.773 124.217 0.556 1
1 1214 . 1 1 1 A 109 109 ALA H H 109 8.131 8.143 -0.012 1
1 1215 . 1 1 1 A 109 109 ALA HA H 109 4.224 4.310 -0.086 1
1 1219 . 1 1 1 A 109 109 ALA CA C 109 52.432 53.182 -0.750 1
1 1220 . 1 1 1 A 109 109 ALA CB C 109 19.017 19.930 -0.913 1
1 1221 . 1 1 1 A 109 109 ALA N N 109 124.331 123.257 1.074 1
1 1222 . 1 1 1 A 110 110 ARG H H 110 8.114 8.077 0.037 1
1 1223 . 1 1 1 A 110 110 ARG HA H 110 4.191 4.036 0.155 1
1 1230 . 1 1 1 A 110 110 ARG CA C 110 56.013 57.030 -1.017 1
1 1231 . 1 1 1 A 110 110 ARG CB C 110 30.871 28.785 2.086 1
1 1234 . 1 1 1 A 110 110 ARG N N 110 119.544 117.879 1.665 1
1 1235 . 1 1 1 A 111 111 HIS H H 111 8.283 8.159 0.124 1
1 1236 . 1 1 1 A 111 111 HIS HA H 111 4.604 4.790 -0.186 1
1 1240 . 1 1 1 A 111 111 HIS CA C 111 55.448 55.980 -0.532 1
1 1241 . 1 1 1 A 111 111 HIS CB C 111 29.866 30.765 -0.899 1
1 1243 . 1 1 1 A 111 111 HIS N N 111 119.886 122.503 -2.617 1
1 1244 . 1 1 1 A 112 112 TYR H H 112 8.179 8.929 -0.750 1
1 1245 . 1 1 1 A 112 112 TYR HA H 112 4.766 4.012 0.754 1
1 1252 . 1 1 1 A 112 112 TYR CA C 112 55.701 58.761 -3.060 1
1 1253 . 1 1 1 A 112 112 TYR CB C 112 38.110 36.801 1.309 1
1 1256 . 1 1 1 A 112 112 TYR N N 112 122.673 126.201 -3.528 1
1 1257 . 1 1 1 A 113 113 PRO HA H 113 4.399 4.521 -0.122 1
1 1264 . 1 1 1 A 113 113 PRO CA C 113 63.097 62.706 0.391 1
1 1265 . 1 1 1 A 113 113 PRO CB C 113 31.684 32.541 -0.857 1
1 1268 . 1 1 1 A 114 114 LEU H H 114 8.225 8.484 -0.259 1
1 1269 . 1 1 1 A 114 114 LEU HA H 114 4.265 4.480 -0.215 1
1 1279 . 1 1 1 A 114 114 LEU CA C 114 55.069 54.639 0.430 1
1 1280 . 1 1 1 A 114 114 LEU CB C 114 42.104 44.092 -1.988 1
1 1284 . 1 1 1 A 114 114 LEU N N 114 121.625 122.677 -1.052 1
1 1285 . 1 1 1 A 115 115 GLU H H 115 8.273 7.851 0.422 1
1 1286 . 1 1 1 A 115 115 GLU HA H 115 4.202 4.336 -0.134 1
1 1291 . 1 1 1 A 115 115 GLU CA C 115 56.402 56.219 0.183 1
1 1292 . 1 1 1 A 115 115 GLU CB C 115 30.249 28.614 1.635 1
1 5 . 2 1 1 A 2 2 GLU HA H 2 4.399 4.251 0.148 1
1 10 . 2 1 1 A 2 2 GLU CA C 2 56.358 57.547 -1.189 1
1 11 . 2 1 1 A 2 2 GLU CB C 2 30.249 30.053 0.196 1
1 13 . 2 1 1 A 3 3 ASN H H 3 8.699 7.637 1.062 1
1 14 . 2 1 1 A 3 3 ASN HA H 3 4.753 4.777 -0.024 1
1 19 . 2 1 1 A 3 3 ASN CA C 3 53.211 52.452 0.759 1
1 20 . 2 1 1 A 3 3 ASN CB C 3 38.733 37.688 1.045 1
1 21 . 2 1 1 A 3 3 ASN N N 3 120.234 119.816 0.418 1
1 23 . 2 1 1 A 4 4 SER H H 4 8.428 8.282 0.146 1
1 24 . 2 1 1 A 4 4 SER HA H 4 4.395 5.191 -0.796 1
1 27 . 2 1 1 A 4 4 SER CA C 4 59.048 57.051 1.997 1
1 28 . 2 1 1 A 4 4 SER CB C 4 63.485 65.500 -2.015 1
1 29 . 2 1 1 A 4 4 SER N N 4 116.413 120.812 -4.399 1
1 30 . 2 1 1 A 5 5 GLY H H 5 8.525 8.332 0.193 1
1 31 . 2 1 1 A 5 5 GLY HA2 H 5 3.970 3.921 0.049 1
1 32 . 2 1 1 A 5 5 GLY HA3 H 5 3.969 3.994 -0.025 1
1 33 . 2 1 1 A 5 5 GLY CA C 5 45.717 45.500 0.217 1
1 34 . 2 1 1 A 5 5 GLY N N 5 111.196 111.333 -0.137 1
1 35 . 2 1 1 A 6 6 ALA H H 6 7.941 8.362 -0.421 1
1 36 . 2 1 1 A 6 6 ALA HA H 6 4.206 4.301 -0.095 1
1 40 . 2 1 1 A 6 6 ALA CA C 6 52.988 51.465 1.523 1
1 41 . 2 1 1 A 6 6 ALA CB C 6 19.429 18.938 0.491 1
1 42 . 2 1 1 A 6 6 ALA N N 6 123.277 123.796 -0.519 1
1 43 . 2 1 1 A 7 7 TYR H H 7 8.351 7.800 0.551 1
1 44 . 2 1 1 A 7 7 TYR HA H 7 4.509 4.143 0.366 1
1 51 . 2 1 1 A 7 7 TYR CA C 7 57.528 59.315 -1.787 1
1 52 . 2 1 1 A 7 7 TYR CB C 7 39.356 35.416 3.940 1
1 55 . 2 1 1 A 7 7 TYR N N 7 114.900 114.493 0.407 1
1 56 . 2 1 1 A 8 8 THR H H 8 7.735 7.489 0.246 1
1 57 . 2 1 1 A 8 8 THR HA H 8 4.922 4.762 0.160 1
1 62 . 2 1 1 A 8 8 THR CA C 8 60.827 60.900 -0.073 1
1 63 . 2 1 1 A 8 8 THR CB C 8 70.109 70.523 -0.414 1
1 65 . 2 1 1 A 8 8 THR N N 8 110.856 115.366 -4.510 1
1 66 . 2 1 1 A 9 9 PHE H H 9 8.816 9.260 -0.444 1
1 67 . 2 1 1 A 9 9 PHE HA H 9 3.825 4.226 -0.401 1
1 75 . 2 1 1 A 9 9 PHE CA C 9 62.935 62.583 0.352 1
1 76 . 2 1 1 A 9 9 PHE CB C 9 39.373 39.899 -0.526 1
1 80 . 2 1 1 A 9 9 PHE N N 9 121.282 124.113 -2.831 1
1 81 . 2 1 1 A 10 10 GLU H H 10 9.741 8.707 1.034 1
1 82 . 2 1 1 A 10 10 GLU HA H 10 3.295 4.137 -0.842 1
1 87 . 2 1 1 A 10 10 GLU CA C 10 59.586 59.326 0.260 1
1 88 . 2 1 1 A 10 10 GLU CB C 10 28.453 28.681 -0.228 1
1 90 . 2 1 1 A 10 10 GLU N N 10 117.454 117.860 -0.406 1
1 91 . 2 1 1 A 11 11 THR H H 11 7.542 7.864 -0.322 1
1 92 . 2 1 1 A 11 11 THR HA H 11 3.667 3.966 -0.299 1
1 97 . 2 1 1 A 11 11 THR CA C 11 66.550 66.949 -0.399 1
1 98 . 2 1 1 A 11 11 THR CB C 11 66.557 67.867 -1.310 1
1 100 . 2 1 1 A 11 11 THR N N 11 115.970 116.424 -0.454 1
1 101 . 2 1 1 A 12 12 ILE H H 12 7.724 7.561 0.163 1
1 102 . 2 1 1 A 12 12 ILE HA H 12 3.561 3.619 -0.058 1
1 112 . 2 1 1 A 12 12 ILE CA C 12 63.395 64.467 -1.072 1
1 113 . 2 1 1 A 12 12 ILE CB C 12 36.233 36.755 -0.522 1
1 117 . 2 1 1 A 12 12 ILE N N 12 122.235 121.575 0.660 1
1 118 . 2 1 1 A 13 13 ALA H H 13 9.099 8.334 0.765 1
1 119 . 2 1 1 A 13 13 ALA HA H 13 3.975 3.606 0.369 1
1 123 . 2 1 1 A 13 13 ALA CA C 13 55.666 55.064 0.602 1
1 124 . 2 1 1 A 13 13 ALA CB C 13 20.126 18.008 2.118 1
1 125 . 2 1 1 A 13 13 ALA N N 13 122.259 121.629 0.630 1
1 126 . 2 1 1 A 14 14 ARG H H 14 8.600 7.459 1.141 1
1 127 . 2 1 1 A 14 14 ARG HA H 14 4.097 3.751 0.346 1
1 134 . 2 1 1 A 14 14 ARG CA C 14 60.889 58.270 2.619 1
1 135 . 2 1 1 A 14 14 ARG CB C 14 29.000 29.539 -0.539 1
1 138 . 2 1 1 A 14 14 ARG N N 14 116.993 116.595 0.398 1
1 139 . 2 1 1 A 15 15 GLU H H 15 7.924 7.775 0.149 1
1 140 . 2 1 1 A 15 15 GLU HA H 15 4.085 3.880 0.205 1
1 145 . 2 1 1 A 15 15 GLU CA C 15 59.312 59.241 0.071 1
1 146 . 2 1 1 A 15 15 GLU CB C 15 29.866 29.248 0.618 1
1 148 . 2 1 1 A 15 15 GLU N N 15 122.758 119.264 3.494 1
1 149 . 2 1 1 A 16 16 TRP H H 16 8.864 7.656 1.208 1
1 150 . 2 1 1 A 16 16 TRP HA H 16 4.740 4.167 0.573 1
1 158 . 2 1 1 A 16 16 TRP CA C 16 60.839 58.459 2.380 1
1 159 . 2 1 1 A 16 16 TRP CB C 16 26.693 27.941 -1.248 1
1 163 . 2 1 1 A 16 16 TRP N N 16 122.323 119.944 2.379 1
1 165 . 2 1 1 A 17 17 HIS H H 17 8.803 6.960 1.843 1
1 166 . 2 1 1 A 17 17 HIS HA H 17 3.076 3.730 -0.654 1
1 170 . 2 1 1 A 17 17 HIS CA C 17 60.683 59.717 0.966 1
1 171 . 2 1 1 A 17 17 HIS CB C 17 30.772 29.777 0.995 1
1 173 . 2 1 1 A 17 17 HIS N N 17 121.293 120.544 0.749 1
1 174 . 2 1 1 A 18 18 GLU H H 18 7.897 8.180 -0.283 1
1 175 . 2 1 1 A 18 18 GLU HA H 18 3.837 4.053 -0.216 1
1 180 . 2 1 1 A 18 18 GLU CA C 18 57.506 59.735 -2.229 1
1 181 . 2 1 1 A 18 18 GLU CB C 18 29.421 29.466 -0.045 1
1 183 . 2 1 1 A 18 18 GLU N N 18 118.162 118.579 -0.417 1
1 184 . 2 1 1 A 19 19 SER H H 19 7.461 8.245 -0.784 1
1 185 . 2 1 1 A 19 19 SER HA H 19 4.150 4.330 -0.180 1
1 188 . 2 1 1 A 19 19 SER CA C 19 60.000 61.440 -1.440 1
1 189 . 2 1 1 A 19 19 SER CB C 19 63.329 63.248 0.081 1
1 190 . 2 1 1 A 19 19 SER N N 19 112.802 117.009 -4.207 1
1 191 . 2 1 1 A 20 20 ASN H H 20 6.638 7.606 -0.968 1
1 192 . 2 1 1 A 20 20 ASN HA H 20 4.226 4.725 -0.499 1
1 195 . 2 1 1 A 20 20 ASN CA C 20 53.211 55.394 -2.183 1
1 196 . 2 1 1 A 20 20 ASN CB C 20 37.021 38.858 -1.837 1
1 197 . 2 1 1 A 20 20 ASN N N 20 121.098 118.344 2.754 1
1 198 . 2 1 1 A 21 21 LYS H H 21 8.010 7.404 0.606 1
1 199 . 2 1 1 A 21 21 LYS HA H 21 4.077 4.610 -0.533 1
1 208 . 2 1 1 A 21 21 LYS CA C 21 56.558 56.208 0.350 1
1 209 . 2 1 1 A 21 21 LYS CB C 21 32.435 35.710 -3.275 1
1 213 . 2 1 1 A 21 21 LYS N N 21 122.666 117.539 5.127 1
1 214 . 2 1 1 A 22 22 ARG H H 22 8.007 8.814 -0.807 1
1 215 . 2 1 1 A 22 22 ARG HA H 22 4.257 3.531 0.726 1
1 222 . 2 1 1 A 22 22 ARG CA C 22 56.480 56.686 -0.206 1
1 223 . 2 1 1 A 22 22 ARG CB C 22 30.000 28.837 1.163 1
1 226 . 2 1 1 A 22 22 ARG N N 22 117.459 125.159 -7.700 1
1 227 . 2 1 1 A 23 23 TRP H H 23 7.211 7.435 -0.224 1
1 228 . 2 1 1 A 23 23 TRP HA H 23 4.938 5.830 -0.892 1
1 237 . 2 1 1 A 23 23 TRP CA C 23 55.206 54.869 0.337 1
1 238 . 2 1 1 A 23 23 TRP CB C 23 30.772 32.790 -2.018 1
1 244 . 2 1 1 A 23 23 TRP N N 23 118.844 122.856 -4.012 1
1 246 . 2 1 1 A 24 24 SER H H 24 8.764 8.857 -0.093 1
1 247 . 2 1 1 A 24 24 SER HA H 24 4.520 4.847 -0.327 1
1 250 . 2 1 1 A 24 24 SER CA C 24 57.647 56.882 0.765 1
1 251 . 2 1 1 A 24 24 SER CB C 24 64.419 63.709 0.710 1
1 252 . 2 1 1 A 24 24 SER N N 24 117.454 117.189 0.265 1
1 253 . 2 1 1 A 25 25 GLU H H 25 8.976 8.566 0.410 1
1 254 . 2 1 1 A 25 25 GLU HA H 25 4.076 4.033 0.043 1
1 259 . 2 1 1 A 25 25 GLU CA C 25 59.360 59.481 -0.121 1
1 260 . 2 1 1 A 25 25 GLU CB C 25 28.960 29.270 -0.310 1
1 262 . 2 1 1 A 25 25 GLU N N 25 122.323 122.929 -0.606 1
1 263 . 2 1 1 A 26 26 ASP H H 26 8.608 8.223 0.385 1
1 264 . 2 1 1 A 26 26 ASP HA H 26 4.400 4.451 -0.051 1
1 267 . 2 1 1 A 26 26 ASP CA C 26 56.327 57.273 -0.946 1
1 268 . 2 1 1 A 26 26 ASP CB C 26 40.700 41.122 -0.422 1
1 269 . 2 1 1 A 26 26 ASP N N 26 118.165 119.493 -1.328 1
1 270 . 2 1 1 A 27 27 HIS H H 27 7.891 7.702 0.189 1
1 271 . 2 1 1 A 27 27 HIS HA H 27 4.247 4.364 -0.117 1
1 275 . 2 1 1 A 27 27 HIS CA C 27 58.271 59.222 -0.951 1
1 276 . 2 1 1 A 27 27 HIS CB C 27 30.483 29.931 0.552 1
1 278 . 2 1 1 A 27 27 HIS N N 27 120.183 117.767 2.416 1
1 279 . 2 1 1 A 28 28 ARG H H 28 8.676 8.017 0.659 1
1 280 . 2 1 1 A 28 28 ARG HA H 28 3.720 3.964 -0.244 1
1 287 . 2 1 1 A 28 28 ARG CA C 28 59.444 59.666 -0.222 1
1 288 . 2 1 1 A 28 28 ARG CB C 28 30.315 30.258 0.057 1
1 291 . 2 1 1 A 28 28 ARG N N 28 118.156 121.253 -3.097 1
1 292 . 2 1 1 A 29 29 SER H H 29 8.359 7.897 0.462 1
1 293 . 2 1 1 A 29 29 SER HA H 29 4.295 4.193 0.102 1
1 296 . 2 1 1 A 29 29 SER CA C 29 60.916 61.538 -0.622 1
1 297 . 2 1 1 A 29 29 SER CB C 29 62.629 62.990 -0.361 1
1 298 . 2 1 1 A 29 29 SER N N 29 115.374 114.506 0.868 1
1 299 . 2 1 1 A 30 30 ARG H H 30 7.860 7.589 0.271 1
1 300 . 2 1 1 A 30 30 ARG HA H 30 3.850 4.136 -0.286 1
1 307 . 2 1 1 A 30 30 ARG CA C 30 59.162 58.911 0.251 1
1 308 . 2 1 1 A 30 30 ARG CB C 30 30.171 30.130 0.041 1
1 311 . 2 1 1 A 30 30 ARG N N 30 124.066 119.697 4.369 1
1 312 . 2 1 1 A 31 31 VAL H H 31 7.928 8.047 -0.119 1
1 313 . 2 1 1 A 31 31 VAL HA H 31 4.728 3.852 0.876 1
1 321 . 2 1 1 A 31 31 VAL CA C 31 66.054 65.717 0.337 1
1 322 . 2 1 1 A 31 31 VAL CB C 31 31.961 31.754 0.207 1
1 325 . 2 1 1 A 31 31 VAL N N 31 116.760 120.581 -3.821 1
1 326 . 2 1 1 A 32 32 LEU H H 32 7.314 7.965 -0.651 1
1 327 . 2 1 1 A 32 32 LEU HA H 32 3.867 4.071 -0.204 1
1 337 . 2 1 1 A 32 32 LEU CA C 32 57.406 57.848 -0.442 1
1 338 . 2 1 1 A 32 32 LEU CB C 32 40.912 41.875 -0.963 1
1 342 . 2 1 1 A 32 32 LEU N N 32 117.541 121.307 -3.766 1
1 343 . 2 1 1 A 33 33 ARG H H 33 7.914 8.171 -0.257 1
1 344 . 2 1 1 A 33 33 ARG HA H 33 4.070 3.952 0.118 1
1 351 . 2 1 1 A 33 33 ARG CA C 33 58.815 59.750 -0.935 1
1 352 . 2 1 1 A 33 33 ARG CB C 33 29.393 30.175 -0.782 1
1 355 . 2 1 1 A 33 33 ARG N N 33 118.510 120.336 -1.826 1
1 356 . 2 1 1 A 34 34 TYR H H 34 8.211 8.277 -0.066 1
1 357 . 2 1 1 A 34 34 TYR HA H 34 4.533 4.251 0.282 1
1 364 . 2 1 1 A 34 34 TYR CA C 34 59.593 60.901 -1.308 1
1 365 . 2 1 1 A 34 34 TYR CB C 34 37.021 39.072 -2.051 1
1 368 . 2 1 1 A 34 34 TYR N N 34 116.416 120.880 -4.464 1
1 369 . 2 1 1 A 35 35 LEU H H 35 7.904 8.746 -0.842 1
1 370 . 2 1 1 A 35 35 LEU HA H 35 3.670 4.082 -0.412 1
1 380 . 2 1 1 A 35 35 LEU CA C 35 57.967 58.228 -0.261 1
1 381 . 2 1 1 A 35 35 LEU CB C 35 40.740 41.537 -0.797 1
1 385 . 2 1 1 A 35 35 LEU N N 35 118.885 120.870 -1.985 1
1 386 . 2 1 1 A 36 36 GLU H H 36 8.662 7.891 0.771 1
1 387 . 2 1 1 A 36 36 GLU HA H 36 3.993 4.164 -0.171 1
1 392 . 2 1 1 A 36 36 GLU CA C 36 59.749 59.344 0.405 1
1 393 . 2 1 1 A 36 36 GLU CB C 36 29.887 29.219 0.668 1
1 395 . 2 1 1 A 36 36 GLU N N 36 120.936 117.729 3.207 1
1 396 . 2 1 1 A 37 37 LEU H H 37 8.195 7.576 0.619 1
1 397 . 2 1 1 A 37 37 LEU HA H 37 3.979 4.026 -0.047 1
1 407 . 2 1 1 A 37 37 LEU CA C 37 56.947 57.879 -0.932 1
1 408 . 2 1 1 A 37 37 LEU CB C 37 42.936 41.845 1.091 1
1 412 . 2 1 1 A 37 37 LEU N N 37 116.413 121.998 -5.585 1
1 413 . 2 1 1 A 38 38 TYR H H 38 7.663 7.245 0.418 1
1 414 . 2 1 1 A 38 38 TYR HA H 38 4.951 4.683 0.268 1
1 421 . 2 1 1 A 38 38 TYR CA C 38 58.581 57.390 1.191 1
1 422 . 2 1 1 A 38 38 TYR CB C 38 41.068 39.543 1.525 1
1 425 . 2 1 1 A 38 38 TYR N N 38 110.509 114.759 -4.250 1
1 426 . 2 1 1 A 39 39 ILE H H 39 7.833 7.562 0.271 1
1 427 . 2 1 1 A 39 39 ILE HA H 39 4.642 3.855 0.787 1
1 437 . 2 1 1 A 39 39 ILE CA C 39 60.000 59.778 0.222 1
1 438 . 2 1 1 A 39 39 ILE CB C 39 37.111 38.710 -1.599 1
1 442 . 2 1 1 A 39 39 ILE N N 39 116.068 121.445 -5.377 1
1 443 . 2 1 1 A 40 40 PHE H H 40 9.117 8.280 0.837 1
1 444 . 2 1 1 A 40 40 PHE HA H 40 4.634 3.928 0.706 1
1 452 . 2 1 1 A 40 40 PHE CA C 40 57.492 58.774 -1.282 1
1 453 . 2 1 1 A 40 40 PHE CB C 40 34.374 35.930 -1.556 1
1 457 . 2 1 1 A 40 40 PHE N N 40 121.241 124.792 -3.551 1
1 458 . 2 1 1 A 41 41 PRO HA H 41 4.388 4.326 0.062 1
1 465 . 2 1 1 A 41 41 PRO CA C 41 66.132 66.393 -0.261 1
1 466 . 2 1 1 A 41 41 PRO CB C 41 31.261 31.293 -0.032 1
1 469 . 2 1 1 A 42 42 HIS H H 42 7.153 7.717 -0.564 1
1 470 . 2 1 1 A 42 42 HIS HA H 42 4.678 4.480 0.198 1
1 474 . 2 1 1 A 42 42 HIS CA C 42 57.336 58.853 -1.517 1
1 475 . 2 1 1 A 42 42 HIS CB C 42 32.895 30.806 2.089 1
1 477 . 2 1 1 A 42 42 HIS N N 42 111.205 116.656 -5.451 1
1 478 . 2 1 1 A 43 43 ILE H H 43 7.327 8.185 -0.858 1
1 479 . 2 1 1 A 43 43 ILE HA H 43 4.938 3.982 0.956 1
1 489 . 2 1 1 A 43 43 ILE CA C 43 60.527 62.123 -1.596 1
1 490 . 2 1 1 A 43 43 ILE CB C 43 40.445 36.827 3.618 1
1 494 . 2 1 1 A 43 43 ILE N N 43 105.996 116.641 -10.645 1
1 495 . 2 1 1 A 44 44 GLY H H 44 8.958 8.342 0.616 1
1 496 . 2 1 1 A 44 44 GLY HA2 H 44 4.340 3.787 0.553 1
1 497 . 2 1 1 A 44 44 GLY HA3 H 44 3.855 3.874 -0.019 1
1 498 . 2 1 1 A 44 44 GLY CA C 44 48.385 46.352 2.033 1
1 499 . 2 1 1 A 44 44 GLY N N 44 110.704 112.899 -2.195 1
1 500 . 2 1 1 A 45 45 SER H H 45 8.294 7.921 0.373 1
1 501 . 2 1 1 A 45 45 SER HA H 45 4.517 4.598 -0.081 1
1 504 . 2 1 1 A 45 45 SER CA C 45 58.270 58.142 0.128 1
1 505 . 2 1 1 A 45 45 SER CB C 45 63.563 63.754 -0.191 1
1 506 . 2 1 1 A 45 45 SER N N 45 110.505 114.176 -3.671 1
1 507 . 2 1 1 A 46 46 SER H H 46 7.689 7.471 0.218 1
1 508 . 2 1 1 A 46 46 SER HA H 46 4.322 4.888 -0.566 1
1 511 . 2 1 1 A 46 46 SER CA C 46 59.282 57.772 1.510 1
1 512 . 2 1 1 A 46 46 SER CB C 46 63.719 64.918 -1.199 1
1 513 . 2 1 1 A 46 46 SER N N 46 119.190 118.968 0.222 1
1 514 . 2 1 1 A 47 47 ASP H H 47 8.646 8.649 -0.003 1
1 515 . 2 1 1 A 47 47 ASP HA H 47 4.446 4.686 -0.240 1
1 518 . 2 1 1 A 47 47 ASP CA C 47 54.145 54.369 -0.224 1
1 519 . 2 1 1 A 47 47 ASP CB C 47 41.652 42.968 -1.316 1
1 520 . 2 1 1 A 47 47 ASP N N 47 124.868 125.366 -0.498 1
1 521 . 2 1 1 A 48 48 ILE H H 48 9.406 8.713 0.693 1
1 522 . 2 1 1 A 48 48 ILE HA H 48 4.091 4.150 -0.059 1
1 532 . 2 1 1 A 48 48 ILE CA C 48 63.844 63.149 0.695 1
1 533 . 2 1 1 A 48 48 ILE CB C 48 39.845 38.174 1.671 1
1 537 . 2 1 1 A 48 48 ILE N N 48 129.573 127.279 2.294 1
1 538 . 2 1 1 A 49 49 ARG H H 49 9.004 8.632 0.372 1
1 539 . 2 1 1 A 49 49 ARG HA H 49 4.166 4.248 -0.082 1
1 546 . 2 1 1 A 49 49 ARG CA C 49 57.534 57.951 -0.417 1
1 547 . 2 1 1 A 49 49 ARG CB C 49 29.870 29.254 0.616 1
1 548 . 2 1 1 A 49 49 ARG N N 49 119.541 119.544 -0.003 1
1 549 . 2 1 1 A 50 50 GLN H H 50 7.868 7.738 0.130 1
1 550 . 2 1 1 A 50 50 GLN HA H 50 4.498 4.655 -0.157 1
1 557 . 2 1 1 A 50 50 GLN CA C 50 54.633 54.654 -0.021 1
1 558 . 2 1 1 A 50 50 GLN CB C 50 29.548 28.880 0.668 1
1 560 . 2 1 1 A 50 50 GLN N N 50 114.374 118.881 -4.507 1
1 562 . 2 1 1 A 51 51 LEU H H 51 6.799 8.753 -1.954 1
1 563 . 2 1 1 A 51 51 LEU HA H 51 4.516 4.743 -0.227 1
1 573 . 2 1 1 A 51 51 LEU CA C 51 54.519 54.398 0.121 1
1 574 . 2 1 1 A 51 51 LEU CB C 51 43.014 43.337 -0.323 1
1 578 . 2 1 1 A 51 51 LEU N N 51 119.548 128.103 -8.555 1
1 579 . 2 1 1 A 52 52 LYS H H 52 10.373 8.527 1.846 1
1 580 . 2 1 1 A 52 52 LYS HA H 52 4.725 4.544 0.181 1
1 589 . 2 1 1 A 52 52 LYS CA C 52 53.806 55.956 -2.150 1
1 590 . 2 1 1 A 52 52 LYS CB C 52 34.394 33.616 0.778 1
1 594 . 2 1 1 A 52 52 LYS N N 52 125.943 122.415 3.528 1
1 595 . 2 1 1 A 53 53 THR H H 53 8.724 8.680 0.044 1
1 596 . 2 1 1 A 53 53 THR HA H 53 4.727 4.867 -0.140 1
1 601 . 2 1 1 A 53 53 THR CA C 53 57.570 61.727 -4.157 1
1 602 . 2 1 1 A 53 53 THR CB C 53 68.467 69.928 -1.461 1
1 604 . 2 1 1 A 53 53 THR N N 53 117.533 116.254 1.279 1
1 605 . 2 1 1 A 54 54 SER H H 54 8.416 9.067 -0.651 1
1 606 . 2 1 1 A 54 54 SER HA H 54 4.743 4.131 0.612 1
1 609 . 2 1 1 A 54 54 SER CA C 54 61.306 61.923 -0.617 1
1 610 . 2 1 1 A 54 54 SER CB C 54 61.132 62.790 -1.658 1
1 611 . 2 1 1 A 54 54 SER N N 54 112.941 117.547 -4.606 1
1 612 . 2 1 1 A 55 55 HIS H H 55 7.077 7.888 -0.811 1
1 613 . 2 1 1 A 55 55 HIS HA H 55 4.425 4.325 0.100 1
1 617 . 2 1 1 A 55 55 HIS CA C 55 58.659 59.008 -0.349 1
1 618 . 2 1 1 A 55 55 HIS CB C 55 33.051 29.722 3.329 1
1 620 . 2 1 1 A 55 55 HIS N N 55 120.680 118.986 1.694 1
1 621 . 2 1 1 A 56 56 LEU H H 56 7.410 8.065 -0.655 1
1 622 . 2 1 1 A 56 56 LEU HA H 56 3.916 3.984 -0.068 1
1 632 . 2 1 1 A 56 56 LEU CA C 56 56.558 57.542 -0.984 1
1 633 . 2 1 1 A 56 56 LEU CB C 56 42.547 41.525 1.022 1
1 637 . 2 1 1 A 56 56 LEU N N 56 115.029 116.970 -1.941 1
1 638 . 2 1 1 A 57 57 LEU H H 57 7.906 7.742 0.164 1
1 639 . 2 1 1 A 57 57 LEU HA H 57 4.073 4.103 -0.030 1
1 649 . 2 1 1 A 57 57 LEU CA C 57 56.047 57.164 -1.117 1
1 650 . 2 1 1 A 57 57 LEU CB C 57 42.575 41.342 1.233 1
1 654 . 2 1 1 A 57 57 LEU N N 57 113.214 121.617 -8.403 1
1 655 . 2 1 1 A 58 58 ALA H H 58 7.367 8.060 -0.693 1
1 656 . 2 1 1 A 58 58 ALA HA H 58 4.176 3.984 0.192 1
1 660 . 2 1 1 A 58 58 ALA CA C 58 57.049 57.291 -0.242 1
1 661 . 2 1 1 A 58 58 ALA CB C 58 15.362 16.892 -1.530 1
1 662 . 2 1 1 A 58 58 ALA N N 58 120.662 121.964 -1.302 1
1 663 . 2 1 1 A 59 59 PRO HA H 59 4.133 4.819 -0.686 1
1 670 . 2 1 1 A 59 59 PRO CA C 59 65.120 65.349 -0.229 1
1 671 . 2 1 1 A 59 59 PRO CB C 59 31.183 31.005 0.178 1
1 674 . 2 1 1 A 60 60 ILE H H 60 6.643 7.513 -0.870 1
1 675 . 2 1 1 A 60 60 ILE HA H 60 3.383 3.855 -0.472 1
1 685 . 2 1 1 A 60 60 ILE CA C 60 64.886 63.708 1.178 1
1 686 . 2 1 1 A 60 60 ILE CB C 60 37.799 36.852 0.947 1
1 690 . 2 1 1 A 60 60 ILE N N 60 117.809 116.620 1.189 1
1 691 . 2 1 1 A 61 61 LYS H H 61 8.635 8.042 0.593 1
1 692 . 2 1 1 A 61 61 LYS HA H 61 3.992 4.211 -0.219 1
1 701 . 2 1 1 A 61 61 LYS CA C 61 59.048 59.747 -0.699 1
1 702 . 2 1 1 A 61 61 LYS CB C 61 31.678 31.975 -0.297 1
1 706 . 2 1 1 A 61 61 LYS N N 61 120.585 121.370 -0.785 1
1 707 . 2 1 1 A 62 62 GLU H H 62 7.664 7.570 0.094 1
1 708 . 2 1 1 A 62 62 GLU HA H 62 3.992 4.077 -0.085 1
1 713 . 2 1 1 A 62 62 GLU CA C 62 59.593 59.164 0.429 1
1 714 . 2 1 1 A 62 62 GLU CB C 62 28.975 29.342 -0.367 1
1 716 . 2 1 1 A 62 62 GLU N N 62 118.505 120.412 -1.907 1
1 717 . 2 1 1 A 63 63 VAL H H 63 7.227 7.467 -0.240 1
1 718 . 2 1 1 A 63 63 VAL HA H 63 3.545 3.888 -0.343 1
1 726 . 2 1 1 A 63 63 VAL CA C 63 65.663 65.201 0.462 1
1 727 . 2 1 1 A 63 63 VAL CB C 63 31.650 31.431 0.219 1
1 730 . 2 1 1 A 63 63 VAL N N 63 119.540 117.066 2.474 1
1 731 . 2 1 1 A 64 64 ASP H H 64 8.281 8.467 -0.186 1
1 732 . 2 1 1 A 64 64 ASP HA H 64 3.984 4.664 -0.680 1
1 735 . 2 1 1 A 64 64 ASP CA C 64 58.860 56.706 2.154 1
1 736 . 2 1 1 A 64 64 ASP CB C 64 42.561 40.178 2.383 1
1 737 . 2 1 1 A 64 64 ASP N N 64 122.316 121.686 0.630 1
1 738 . 2 1 1 A 65 65 THR H H 65 8.818 8.059 0.759 1
1 739 . 2 1 1 A 65 65 THR HA H 65 4.310 4.087 0.223 1
1 744 . 2 1 1 A 65 65 THR CA C 65 68.825 65.461 3.364 1
1 745 . 2 1 1 A 65 65 THR CB C 65 65.195 68.559 -3.364 1
1 747 . 2 1 1 A 65 65 THR N N 65 112.808 116.865 -4.057 1
1 748 . 2 1 1 A 66 66 SER H H 66 7.596 7.691 -0.095 1
1 749 . 2 1 1 A 66 66 SER HA H 66 4.469 4.564 -0.095 1
1 752 . 2 1 1 A 66 66 SER CA C 66 59.827 58.277 1.550 1
1 753 . 2 1 1 A 66 66 SER CB C 66 63.641 63.534 0.107 1
1 754 . 2 1 1 A 66 66 SER N N 66 116.412 114.140 2.272 1
1 755 . 2 1 1 A 67 67 GLY H H 67 7.781 8.004 -0.223 1
1 756 . 2 1 1 A 67 67 GLY HA2 H 67 4.467 4.039 0.428 1
1 757 . 2 1 1 A 67 67 GLY HA3 H 67 3.355 4.045 -0.690 1
1 758 . 2 1 1 A 67 67 GLY CA C 67 44.337 45.083 -0.746 1
1 759 . 2 1 1 A 67 67 GLY N N 67 108.565 109.417 -0.852 1
1 760 . 2 1 1 A 68 68 LYS H H 68 6.932 7.592 -0.660 1
1 761 . 2 1 1 A 68 68 LYS HA H 68 4.706 4.614 0.092 1
1 770 . 2 1 1 A 68 68 LYS CA C 68 54.145 54.656 -0.511 1
1 771 . 2 1 1 A 68 68 LYS CB C 68 30.325 30.712 -0.387 1
1 775 . 2 1 1 A 68 68 LYS N N 68 121.979 121.329 0.650 1
1 776 . 2 1 1 A 69 69 HIS H H 69 7.630 8.281 -0.651 1
1 777 . 2 1 1 A 69 69 HIS HA H 69 4.544 4.147 0.397 1
1 780 . 2 1 1 A 69 69 HIS CA C 69 58.270 59.679 -1.409 1
1 781 . 2 1 1 A 69 69 HIS CB C 69 28.303 30.267 -1.964 1
1 782 . 2 1 1 A 69 69 HIS N N 69 119.617 121.226 -1.609 1
1 783 . 2 1 1 A 70 70 ASP H H 70 8.779 8.273 0.506 1
1 784 . 2 1 1 A 70 70 ASP HA H 70 4.330 4.291 0.039 1
1 787 . 2 1 1 A 70 70 ASP CA C 70 56.869 57.376 -0.507 1
1 788 . 2 1 1 A 70 70 ASP CB C 70 39.433 40.285 -0.852 1
1 789 . 2 1 1 A 70 70 ASP N N 70 118.586 120.213 -1.627 1
1 790 . 2 1 1 A 71 71 VAL H H 71 7.575 8.192 -0.617 1
1 791 . 2 1 1 A 71 71 VAL HA H 71 3.232 3.721 -0.489 1
1 799 . 2 1 1 A 71 71 VAL CA C 71 66.131 66.469 -0.338 1
1 800 . 2 1 1 A 71 71 VAL CB C 71 31.105 31.516 -0.411 1
1 803 . 2 1 1 A 71 71 VAL N N 71 121.186 120.373 0.813 1
1 804 . 2 1 1 A 72 72 ALA H H 72 8.022 8.166 -0.144 1
1 805 . 2 1 1 A 72 72 ALA HA H 72 3.682 3.991 -0.309 1
1 809 . 2 1 1 A 72 72 ALA CA C 72 55.702 55.700 0.002 1
1 810 . 2 1 1 A 72 72 ALA CB C 72 18.028 18.185 -0.157 1
1 811 . 2 1 1 A 72 72 ALA N N 72 120.675 122.233 -1.558 1
1 812 . 2 1 1 A 73 73 GLN H H 73 7.793 8.066 -0.273 1
1 813 . 2 1 1 A 73 73 GLN HA H 73 3.971 3.919 0.052 1
1 820 . 2 1 1 A 73 73 GLN CA C 73 58.872 59.107 -0.235 1
1 821 . 2 1 1 A 73 73 GLN CB C 73 28.073 28.322 -0.249 1
1 823 . 2 1 1 A 73 73 GLN N N 73 115.949 117.657 -1.708 1
1 825 . 2 1 1 A 74 74 ARG H H 74 7.795 7.902 -0.107 1
1 826 . 2 1 1 A 74 74 ARG HA H 74 4.108 4.116 -0.008 1
1 833 . 2 1 1 A 74 74 ARG CA C 74 59.282 59.132 0.150 1
1 834 . 2 1 1 A 74 74 ARG CB C 74 29.857 30.170 -0.313 1
1 837 . 2 1 1 A 74 74 ARG N N 74 119.896 119.343 0.553 1
1 838 . 2 1 1 A 75 75 LEU H H 75 8.850 8.454 0.396 1
1 839 . 2 1 1 A 75 75 LEU HA H 75 3.935 4.054 -0.119 1
1 849 . 2 1 1 A 75 75 LEU CA C 75 57.803 57.881 -0.078 1
1 850 . 2 1 1 A 75 75 LEU CB C 75 42.858 41.427 1.431 1
1 854 . 2 1 1 A 75 75 LEU N N 75 118.044 120.108 -2.064 1
1 855 . 2 1 1 A 76 76 GLN H H 76 8.412 8.583 -0.171 1
1 856 . 2 1 1 A 76 76 GLN HA H 76 3.790 3.977 -0.187 1
1 861 . 2 1 1 A 76 76 GLN CA C 76 60.294 58.956 1.338 1
1 862 . 2 1 1 A 76 76 GLN CB C 76 27.995 28.027 -0.032 1
1 864 . 2 1 1 A 76 76 GLN N N 76 119.109 117.312 1.797 1
1 865 . 2 1 1 A 77 77 GLN H H 77 7.788 8.424 -0.636 1
1 866 . 2 1 1 A 77 77 GLN HA H 77 4.090 4.059 0.031 1
1 873 . 2 1 1 A 77 77 GLN CA C 77 59.318 58.857 0.461 1
1 874 . 2 1 1 A 77 77 GLN CB C 77 28.054 28.341 -0.287 1
1 876 . 2 1 1 A 77 77 GLN N N 77 119.616 119.319 0.297 1
1 878 . 2 1 1 A 78 78 ARG H H 78 8.552 7.765 0.787 1
1 879 . 2 1 1 A 78 78 ARG HA H 78 4.171 4.200 -0.029 1
1 886 . 2 1 1 A 78 78 ARG CA C 78 57.946 59.050 -1.104 1
1 887 . 2 1 1 A 78 78 ARG CB C 78 28.958 30.698 -1.740 1
1 890 . 2 1 1 A 78 78 ARG N N 78 118.044 119.759 -1.715 1
1 891 . 2 1 1 A 79 79 VAL H H 79 8.958 8.221 0.737 1
1 892 . 2 1 1 A 79 79 VAL HA H 79 3.603 4.118 -0.515 1
1 900 . 2 1 1 A 79 79 VAL CA C 79 67.284 65.241 2.043 1
1 901 . 2 1 1 A 79 79 VAL CB C 79 31.228 31.338 -0.110 1
1 904 . 2 1 1 A 79 79 VAL N N 79 116.998 120.317 -3.319 1
1 905 . 2 1 1 A 80 80 THR H H 80 7.938 7.588 0.350 1
1 906 . 2 1 1 A 80 80 THR HA H 80 4.301 3.983 0.318 1
1 911 . 2 1 1 A 80 80 THR CA C 80 67.976 65.390 2.586 1
1 912 . 2 1 1 A 80 80 THR CB C 80 67.466 68.842 -1.376 1
1 914 . 2 1 1 A 80 80 THR N N 80 115.701 115.623 0.078 1
1 915 . 2 1 1 A 81 81 ALA H H 81 7.656 7.919 -0.263 1
1 916 . 2 1 1 A 81 81 ALA HA H 81 4.070 3.944 0.126 1
1 920 . 2 1 1 A 81 81 ALA CA C 81 55.232 54.837 0.395 1
1 921 . 2 1 1 A 81 81 ALA CB C 81 18.087 18.095 -0.008 1
1 922 . 2 1 1 A 81 81 ALA N N 81 124.407 123.112 1.295 1
1 923 . 2 1 1 A 82 82 ILE H H 82 7.901 7.569 0.332 1
1 924 . 2 1 1 A 82 82 ILE HA H 82 2.733 3.651 -0.918 1
1 934 . 2 1 1 A 82 82 ILE CA C 82 65.450 65.061 0.389 1
1 935 . 2 1 1 A 82 82 ILE CB C 82 37.569 38.090 -0.521 1
1 939 . 2 1 1 A 82 82 ILE N N 82 121.196 119.833 1.363 1
1 940 . 2 1 1 A 83 83 MET H H 83 8.258 8.056 0.202 1
1 941 . 2 1 1 A 83 83 MET HA H 83 4.556 4.213 0.343 1
1 949 . 2 1 1 A 83 83 MET CA C 83 56.403 58.565 -2.162 1
1 950 . 2 1 1 A 83 83 MET CB C 83 29.782 31.750 -1.968 1
1 953 . 2 1 1 A 83 83 MET N N 83 120.154 120.735 -0.581 1
1 954 . 2 1 1 A 84 84 ARG H H 84 7.915 8.132 -0.217 1
1 955 . 2 1 1 A 84 84 ARG HA H 84 4.039 3.937 0.102 1
1 962 . 2 1 1 A 84 84 ARG CA C 84 59.749 59.025 0.724 1
1 963 . 2 1 1 A 84 84 ARG CB C 84 30.000 29.594 0.406 1
1 966 . 2 1 1 A 84 84 ARG N N 84 116.534 119.893 -3.359 1
1 967 . 2 1 1 A 85 85 TYR H H 85 8.221 8.412 -0.191 1
1 968 . 2 1 1 A 85 85 TYR HA H 85 4.255 4.261 -0.006 1
1 975 . 2 1 1 A 85 85 TYR CA C 85 61.382 61.487 -0.105 1
1 976 . 2 1 1 A 85 85 TYR CB C 85 38.499 38.663 -0.164 1
1 979 . 2 1 1 A 85 85 TYR N N 85 122.313 121.399 0.914 1
1 980 . 2 1 1 A 86 86 ALA H H 86 8.804 8.205 0.599 1
1 981 . 2 1 1 A 86 86 ALA HA H 86 4.223 4.093 0.130 1
1 985 . 2 1 1 A 86 86 ALA CA C 86 55.043 55.153 -0.110 1
1 986 . 2 1 1 A 86 86 ALA CB C 86 18.087 18.381 -0.294 1
1 987 . 2 1 1 A 86 86 ALA N N 86 123.291 122.044 1.247 1
1 988 . 2 1 1 A 87 87 VAL H H 87 8.113 7.910 0.203 1
1 989 . 2 1 1 A 87 87 VAL HA H 87 4.170 3.590 0.580 1
1 997 . 2 1 1 A 87 87 VAL CA C 87 65.146 66.945 -1.799 1
1 998 . 2 1 1 A 87 87 VAL CB C 87 31.897 31.544 0.353 1
1 1001 . 2 1 1 A 87 87 VAL N N 87 120.144 118.220 1.924 1
1 1002 . 2 1 1 A 88 88 GLN H H 88 8.458 8.266 0.192 1
1 1003 . 2 1 1 A 88 88 GLN HA H 88 3.983 3.929 0.054 1
1 1010 . 2 1 1 A 88 88 GLN CA C 88 58.270 59.036 -0.766 1
1 1011 . 2 1 1 A 88 88 GLN CB C 88 28.075 28.136 -0.061 1
1 1013 . 2 1 1 A 88 88 GLN N N 88 120.751 119.709 1.042 1
1 1015 . 2 1 1 A 89 89 ASN H H 89 7.359 7.977 -0.618 1
1 1016 . 2 1 1 A 89 89 ASN HA H 89 4.486 4.653 -0.167 1
1 1021 . 2 1 1 A 89 89 ASN CA C 89 53.444 53.104 0.340 1
1 1022 . 2 1 1 A 89 89 ASN CB C 89 38.932 38.473 0.459 1
1 1023 . 2 1 1 A 89 89 ASN N N 89 113.850 114.865 -1.015 1
1 1025 . 2 1 1 A 90 90 ASP H H 90 7.849 8.054 -0.205 1
1 1026 . 2 1 1 A 90 90 ASP HA H 90 4.387 4.334 0.053 1
1 1029 . 2 1 1 A 90 90 ASP CA C 90 55.935 55.392 0.543 1
1 1030 . 2 1 1 A 90 90 ASP CB C 90 38.811 40.369 -1.558 1
1 1031 . 2 1 1 A 90 90 ASP N N 90 113.293 117.873 -4.580 1
1 1032 . 2 1 1 A 91 91 TYR H H 91 8.489 8.430 0.059 1
1 1033 . 2 1 1 A 91 91 TYR HA H 91 4.589 4.323 0.266 1
1 1040 . 2 1 1 A 91 91 TYR CA C 91 60.000 60.505 -0.505 1
1 1041 . 2 1 1 A 91 91 TYR CB C 91 38.811 39.327 -0.516 1
1 1044 . 2 1 1 A 91 91 TYR N N 91 116.072 119.565 -3.493 1
1 1045 . 2 1 1 A 92 92 ILE H H 92 7.131 7.655 -0.524 1
1 1046 . 2 1 1 A 92 92 ILE HA H 92 4.684 4.529 0.155 1
1 1056 . 2 1 1 A 92 92 ILE CA C 92 59.126 59.041 0.085 1
1 1057 . 2 1 1 A 92 92 ILE CB C 92 41.846 38.993 2.853 1
1 1061 . 2 1 1 A 92 92 ILE N N 92 107.409 115.009 -7.600 1
1 1062 . 2 1 1 A 93 93 ASP H H 93 8.731 8.987 -0.256 1
1 1063 . 2 1 1 A 93 93 ASP HA H 93 4.707 4.838 -0.131 1
1 1066 . 2 1 1 A 93 93 ASP CA C 93 54.689 55.918 -1.229 1
1 1067 . 2 1 1 A 93 93 ASP CB C 93 41.924 42.716 -0.792 1
1 1068 . 2 1 1 A 93 93 ASP N N 93 118.847 119.903 -1.056 1
1 1069 . 2 1 1 A 94 94 SER H H 94 7.638 7.678 -0.040 1
1 1070 . 2 1 1 A 94 94 SER HA H 94 4.491 4.634 -0.143 1
1 1073 . 2 1 1 A 94 94 SER CA C 94 57.102 56.419 0.683 1
1 1074 . 2 1 1 A 94 94 SER CB C 94 64.186 65.078 -0.892 1
1 1075 . 2 1 1 A 94 94 SER N N 94 112.240 109.768 2.472 1
1 1076 . 2 1 1 A 95 95 ASN H H 95 8.801 8.717 0.084 1
1 1077 . 2 1 1 A 95 95 ASN HA H 95 4.942 5.495 -0.553 1
1 1082 . 2 1 1 A 95 95 ASN CA C 95 49.941 50.456 -0.515 1
1 1083 . 2 1 1 A 95 95 ASN CB C 95 39.356 39.550 -0.194 1
1 1084 . 2 1 1 A 95 95 ASN N N 95 119.551 120.196 -0.645 1
1 1086 . 2 1 1 A 96 96 PRO HA H 96 4.632 4.369 0.263 1
1 1093 . 2 1 1 A 96 96 PRO CA C 96 63.564 64.921 -1.357 1
1 1094 . 2 1 1 A 96 96 PRO CB C 96 32.058 31.936 0.122 1
1 1097 . 2 1 1 A 97 97 ALA H H 97 8.335 8.155 0.180 1
1 1098 . 2 1 1 A 97 97 ALA HA H 97 4.436 4.784 -0.348 1
1 1102 . 2 1 1 A 97 97 ALA CA C 97 52.055 51.168 0.887 1
1 1103 . 2 1 1 A 97 97 ALA CB C 97 18.998 19.674 -0.676 1
1 1104 . 2 1 1 A 97 97 ALA N N 97 121.226 119.670 1.556 1
1 1105 . 2 1 1 A 98 98 SER H H 98 7.600 8.010 -0.410 1
1 1106 . 2 1 1 A 98 98 SER HA H 98 4.168 4.343 -0.175 1
1 1109 . 2 1 1 A 98 98 SER CA C 98 60.372 61.261 -0.889 1
1 1110 . 2 1 1 A 98 98 SER CB C 98 63.018 63.393 -0.375 1
1 1111 . 2 1 1 A 98 98 SER N N 98 114.935 114.286 0.649 1
1 1112 . 2 1 1 A 99 99 ASP H H 99 8.098 7.812 0.286 1
1 1113 . 2 1 1 A 99 99 ASP HA H 99 4.760 4.814 -0.054 1
1 1116 . 2 1 1 A 99 99 ASP CA C 99 54.300 52.812 1.488 1
1 1117 . 2 1 1 A 99 99 ASP CB C 99 40.835 40.623 0.212 1
1 1118 . 2 1 1 A 99 99 ASP N N 99 119.889 120.148 -0.259 1
1 1119 . 2 1 1 A 100 100 MET H H 100 7.885 8.460 -0.575 1
1 1120 . 2 1 1 A 100 100 MET HA H 100 4.205 4.828 -0.623 1
1 1128 . 2 1 1 A 100 100 MET CA C 100 57.025 54.708 2.317 1
1 1129 . 2 1 1 A 100 100 MET CB C 100 33.038 34.744 -1.706 1
1 1132 . 2 1 1 A 100 100 MET N N 100 119.185 121.681 -2.496 1
1 1133 . 2 1 1 A 101 101 ALA H H 101 8.041 7.712 0.329 1
1 1134 . 2 1 1 A 101 101 ALA HA H 101 4.137 4.505 -0.368 1
1 1138 . 2 1 1 A 101 101 ALA CA C 101 53.655 51.155 2.500 1
1 1139 . 2 1 1 A 101 101 ALA CB C 101 18.537 19.537 -1.000 1
1 1140 . 2 1 1 A 101 101 ALA N N 101 122.264 123.241 -0.977 1
1 1141 . 2 1 1 A 102 102 GLY H H 102 8.293 9.010 -0.717 1
1 1142 . 2 1 1 A 102 102 GLY HA2 H 102 3.910 4.196 -0.286 1
1 1143 . 2 1 1 A 102 102 GLY HA3 H 102 3.913 4.197 -0.284 1
1 1144 . 2 1 1 A 102 102 GLY CA C 102 45.664 44.297 1.367 1
1 1145 . 2 1 1 A 102 102 GLY N N 102 107.557 111.338 -3.781 1
1 1146 . 2 1 1 A 103 103 ALA H H 103 7.955 8.286 -0.331 1
1 1147 . 2 1 1 A 103 103 ALA HA H 103 4.235 4.686 -0.451 1
1 1151 . 2 1 1 A 103 103 ALA CA C 103 53.423 50.965 2.458 1
1 1152 . 2 1 1 A 103 103 ALA CB C 103 19.219 19.086 0.133 1
1 1153 . 2 1 1 A 103 103 ALA N N 103 123.285 121.954 1.331 1
1 1154 . 2 1 1 A 104 104 LEU H H 104 8.145 8.612 -0.467 1
1 1155 . 2 1 1 A 104 104 LEU HA H 104 4.301 4.562 -0.261 1
1 1165 . 2 1 1 A 104 104 LEU CA C 104 55.312 55.343 -0.031 1
1 1166 . 2 1 1 A 104 104 LEU CB C 104 41.644 42.925 -1.281 1
1 1170 . 2 1 1 A 104 104 LEU N N 104 118.570 120.594 -2.024 1
1 1171 . 2 1 1 A 105 105 SER H H 105 8.040 7.963 0.077 1
1 1172 . 2 1 1 A 105 105 SER HA H 105 4.390 4.758 -0.368 1
1 1175 . 2 1 1 A 105 105 SER CA C 105 58.893 57.764 1.129 1
1 1176 . 2 1 1 A 105 105 SER CB C 105 63.424 64.760 -1.336 1
1 1177 . 2 1 1 A 105 105 SER N N 105 115.022 115.248 -0.226 1
1 1178 . 2 1 1 A 106 106 THR H H 106 8.032 7.492 0.540 1
1 1179 . 2 1 1 A 106 106 THR HA H 106 4.293 4.482 -0.189 1
1 1184 . 2 1 1 A 106 106 THR CA C 106 62.037 61.466 0.571 1
1 1185 . 2 1 1 A 106 106 THR CB C 106 69.401 68.687 0.714 1
1 1187 . 2 1 1 A 106 106 THR N N 106 115.371 113.412 1.959 1
1 1188 . 2 1 1 A 107 107 THR H H 107 7.940 8.588 -0.648 1
1 1189 . 2 1 1 A 107 107 THR HA H 107 4.296 4.299 -0.003 1
1 1194 . 2 1 1 A 107 107 THR CA C 107 61.539 62.144 -0.605 1
1 1195 . 2 1 1 A 107 107 THR CB C 107 61.610 69.954 -8.344 1
1 1197 . 2 1 1 A 107 107 THR N N 107 122.759 120.893 1.866 1
1 1198 . 2 1 1 A 108 108 LYS H H 108 8.240 8.675 -0.435 1
1 1199 . 2 1 1 A 108 108 LYS HA H 108 4.241 4.501 -0.260 1
1 1208 . 2 1 1 A 108 108 LYS CA C 108 56.324 56.194 0.130 1
1 1209 . 2 1 1 A 108 108 LYS CB C 108 32.817 32.529 0.288 1
1 1213 . 2 1 1 A 108 108 LYS N N 108 124.773 125.287 -0.514 1
1 1214 . 2 1 1 A 109 109 ALA H H 109 8.131 8.414 -0.283 1
1 1215 . 2 1 1 A 109 109 ALA HA H 109 4.224 4.682 -0.458 1
1 1219 . 2 1 1 A 109 109 ALA CA C 109 52.432 51.675 0.757 1
1 1220 . 2 1 1 A 109 109 ALA CB C 109 19.017 19.413 -0.396 1
1 1221 . 2 1 1 A 109 109 ALA N N 109 124.331 128.454 -4.123 1
1 1222 . 2 1 1 A 110 110 ARG H H 110 8.114 7.953 0.161 1
1 1223 . 2 1 1 A 110 110 ARG HA H 110 4.191 4.617 -0.426 1
1 1230 . 2 1 1 A 110 110 ARG CA C 110 56.013 54.430 1.583 1
1 1231 . 2 1 1 A 110 110 ARG CB C 110 30.871 32.785 -1.914 1
1 1234 . 2 1 1 A 110 110 ARG N N 110 119.544 116.786 2.758 1
1 1235 . 2 1 1 A 111 111 HIS H H 111 8.283 8.774 -0.491 1
1 1236 . 2 1 1 A 111 111 HIS HA H 111 4.604 4.022 0.582 1
1 1240 . 2 1 1 A 111 111 HIS CA C 111 55.448 56.598 -1.150 1
1 1241 . 2 1 1 A 111 111 HIS CB C 111 29.866 27.997 1.869 1
1 1243 . 2 1 1 A 111 111 HIS N N 111 119.886 119.670 0.216 1
1 1244 . 2 1 1 A 112 112 TYR H H 112 8.179 7.845 0.334 1
1 1245 . 2 1 1 A 112 112 TYR HA H 112 4.766 4.814 -0.048 1
1 1252 . 2 1 1 A 112 112 TYR CA C 112 55.701 54.866 0.835 1
1 1253 . 2 1 1 A 112 112 TYR CB C 112 38.110 40.002 -1.892 1
1 1256 . 2 1 1 A 112 112 TYR N N 112 122.673 121.896 0.777 1
1 1257 . 2 1 1 A 113 113 PRO HA H 113 4.399 4.788 -0.389 1
1 1264 . 2 1 1 A 113 113 PRO CA C 113 63.097 62.822 0.275 1
1 1265 . 2 1 1 A 113 113 PRO CB C 113 31.684 32.266 -0.582 1
1 1268 . 2 1 1 A 114 114 LEU H H 114 8.225 8.858 -0.633 1
1 1269 . 2 1 1 A 114 114 LEU HA H 114 4.265 4.505 -0.240 1
1 1279 . 2 1 1 A 114 114 LEU CA C 114 55.069 56.545 -1.476 1
1 1280 . 2 1 1 A 114 114 LEU CB C 114 42.104 44.323 -2.219 1
1 1284 . 2 1 1 A 114 114 LEU N N 114 121.625 121.793 -0.168 1
1 1285 . 2 1 1 A 115 115 GLU H H 115 8.273 8.164 0.109 1
1 1286 . 2 1 1 A 115 115 GLU HA H 115 4.202 5.117 -0.915 1
1 1291 . 2 1 1 A 115 115 GLU CA C 115 56.402 55.243 1.159 1
1 1292 . 2 1 1 A 115 115 GLU CB C 115 30.249 33.177 -2.928 1
1 5 . 3 1 1 A 2 2 GLU HA H 2 4.399 4.076 0.323 1
1 10 . 3 1 1 A 2 2 GLU CA C 2 56.358 59.266 -2.908 1
1 11 . 3 1 1 A 2 2 GLU CB C 2 30.249 29.069 1.180 1
1 13 . 3 1 1 A 3 3 ASN H H 3 8.699 7.912 0.787 1
1 14 . 3 1 1 A 3 3 ASN HA H 3 4.753 4.641 0.112 1
1 19 . 3 1 1 A 3 3 ASN CA C 3 53.211 53.192 0.019 1
1 20 . 3 1 1 A 3 3 ASN CB C 3 38.733 38.407 0.326 1
1 21 . 3 1 1 A 3 3 ASN N N 3 120.234 120.025 0.209 1
1 23 . 3 1 1 A 4 4 SER H H 4 8.428 8.665 -0.237 1
1 24 . 3 1 1 A 4 4 SER HA H 4 4.395 4.761 -0.366 1
1 27 . 3 1 1 A 4 4 SER CA C 4 59.048 57.732 1.316 1
1 28 . 3 1 1 A 4 4 SER CB C 4 63.485 64.573 -1.088 1
1 29 . 3 1 1 A 4 4 SER N N 4 116.413 121.958 -5.545 1
1 30 . 3 1 1 A 5 5 GLY H H 5 8.525 8.518 0.007 1
1 31 . 3 1 1 A 5 5 GLY HA2 H 5 3.970 3.636 0.334 1
1 32 . 3 1 1 A 5 5 GLY HA3 H 5 3.969 3.784 0.185 1
1 33 . 3 1 1 A 5 5 GLY CA C 5 45.717 45.360 0.357 1
1 34 . 3 1 1 A 5 5 GLY N N 5 111.196 113.223 -2.027 1
1 35 . 3 1 1 A 6 6 ALA H H 6 7.941 7.752 0.189 1
1 36 . 3 1 1 A 6 6 ALA HA H 6 4.206 4.349 -0.143 1
1 40 . 3 1 1 A 6 6 ALA CA C 6 52.988 50.910 2.078 1
1 41 . 3 1 1 A 6 6 ALA CB C 6 19.429 19.427 0.002 1
1 42 . 3 1 1 A 6 6 ALA N N 6 123.277 123.372 -0.095 1
1 43 . 3 1 1 A 7 7 TYR H H 7 8.351 8.963 -0.612 1
1 44 . 3 1 1 A 7 7 TYR HA H 7 4.509 4.882 -0.373 1
1 51 . 3 1 1 A 7 7 TYR CA C 7 57.528 56.437 1.091 1
1 52 . 3 1 1 A 7 7 TYR CB C 7 39.356 36.382 2.974 1
1 55 . 3 1 1 A 7 7 TYR N N 7 114.900 124.448 -9.548 1
1 56 . 3 1 1 A 8 8 THR H H 8 7.735 7.462 0.273 1
1 57 . 3 1 1 A 8 8 THR HA H 8 4.922 4.869 0.053 1
1 62 . 3 1 1 A 8 8 THR CA C 8 60.827 61.162 -0.335 1
1 63 . 3 1 1 A 8 8 THR CB C 8 70.109 71.897 -1.788 1
1 65 . 3 1 1 A 8 8 THR N N 8 110.856 117.719 -6.863 1
1 66 . 3 1 1 A 9 9 PHE H H 9 8.816 9.647 -0.831 1
1 67 . 3 1 1 A 9 9 PHE HA H 9 3.825 4.143 -0.318 1
1 75 . 3 1 1 A 9 9 PHE CA C 9 62.935 62.760 0.175 1
1 76 . 3 1 1 A 9 9 PHE CB C 9 39.373 40.096 -0.723 1
1 80 . 3 1 1 A 9 9 PHE N N 9 121.282 125.020 -3.738 1
1 81 . 3 1 1 A 10 10 GLU H H 10 9.741 8.236 1.505 1
1 82 . 3 1 1 A 10 10 GLU HA H 10 3.295 4.249 -0.954 1
1 87 . 3 1 1 A 10 10 GLU CA C 10 59.586 59.251 0.335 1
1 88 . 3 1 1 A 10 10 GLU CB C 10 28.453 29.074 -0.621 1
1 90 . 3 1 1 A 10 10 GLU N N 10 117.454 118.380 -0.926 1
1 91 . 3 1 1 A 11 11 THR H H 11 7.542 8.028 -0.486 1
1 92 . 3 1 1 A 11 11 THR HA H 11 3.667 4.009 -0.342 1
1 97 . 3 1 1 A 11 11 THR CA C 11 66.550 66.880 -0.330 1
1 98 . 3 1 1 A 11 11 THR CB C 11 66.557 67.804 -1.247 1
1 100 . 3 1 1 A 11 11 THR N N 11 115.970 117.802 -1.832 1
1 101 . 3 1 1 A 12 12 ILE H H 12 7.724 8.069 -0.345 1
1 102 . 3 1 1 A 12 12 ILE HA H 12 3.561 3.614 -0.053 1
1 112 . 3 1 1 A 12 12 ILE CA C 12 63.395 64.030 -0.635 1
1 113 . 3 1 1 A 12 12 ILE CB C 12 36.233 36.429 -0.196 1
1 117 . 3 1 1 A 12 12 ILE N N 12 122.235 121.570 0.665 1
1 118 . 3 1 1 A 13 13 ALA H H 13 9.099 7.866 1.233 1
1 119 . 3 1 1 A 13 13 ALA HA H 13 3.975 3.721 0.254 1
1 123 . 3 1 1 A 13 13 ALA CA C 13 55.666 54.756 0.910 1
1 124 . 3 1 1 A 13 13 ALA CB C 13 20.126 18.028 2.098 1
1 125 . 3 1 1 A 13 13 ALA N N 13 122.259 123.302 -1.043 1
1 126 . 3 1 1 A 14 14 ARG H H 14 8.600 7.253 1.347 1
1 127 . 3 1 1 A 14 14 ARG HA H 14 4.097 3.839 0.258 1
1 134 . 3 1 1 A 14 14 ARG CA C 14 60.889 58.692 2.197 1
1 135 . 3 1 1 A 14 14 ARG CB C 14 29.000 29.739 -0.739 1
1 138 . 3 1 1 A 14 14 ARG N N 14 116.993 116.680 0.313 1
1 139 . 3 1 1 A 15 15 GLU H H 15 7.924 7.887 0.037 1
1 140 . 3 1 1 A 15 15 GLU HA H 15 4.085 3.901 0.184 1
1 145 . 3 1 1 A 15 15 GLU CA C 15 59.312 59.359 -0.047 1
1 146 . 3 1 1 A 15 15 GLU CB C 15 29.866 29.402 0.464 1
1 148 . 3 1 1 A 15 15 GLU N N 15 122.758 118.917 3.841 1
1 149 . 3 1 1 A 16 16 TRP H H 16 8.864 7.292 1.572 1
1 150 . 3 1 1 A 16 16 TRP HA H 16 4.740 4.599 0.141 1
1 158 . 3 1 1 A 16 16 TRP CA C 16 60.839 58.901 1.938 1
1 159 . 3 1 1 A 16 16 TRP CB C 16 26.693 28.259 -1.566 1
1 163 . 3 1 1 A 16 16 TRP N N 16 122.323 120.215 2.108 1
1 165 . 3 1 1 A 17 17 HIS H H 17 8.803 7.390 1.413 1
1 166 . 3 1 1 A 17 17 HIS HA H 17 3.076 4.356 -1.280 1
1 170 . 3 1 1 A 17 17 HIS CA C 17 60.683 58.720 1.963 1
1 171 . 3 1 1 A 17 17 HIS CB C 17 30.772 29.825 0.947 1
1 173 . 3 1 1 A 17 17 HIS N N 17 121.293 120.587 0.706 1
1 174 . 3 1 1 A 18 18 GLU H H 18 7.897 8.623 -0.726 1
1 175 . 3 1 1 A 18 18 GLU HA H 18 3.837 4.164 -0.327 1
1 180 . 3 1 1 A 18 18 GLU CA C 18 57.506 58.434 -0.928 1
1 181 . 3 1 1 A 18 18 GLU CB C 18 29.421 29.022 0.399 1
1 183 . 3 1 1 A 18 18 GLU N N 18 118.162 118.188 -0.026 1
1 184 . 3 1 1 A 19 19 SER H H 19 7.461 7.644 -0.183 1
1 185 . 3 1 1 A 19 19 SER HA H 19 4.150 4.352 -0.202 1
1 188 . 3 1 1 A 19 19 SER CA C 19 60.000 59.028 0.972 1
1 189 . 3 1 1 A 19 19 SER CB C 19 63.329 64.111 -0.782 1
1 190 . 3 1 1 A 19 19 SER N N 19 112.802 113.057 -0.255 1
1 191 . 3 1 1 A 20 20 ASN H H 20 6.638 8.317 -1.679 1
1 192 . 3 1 1 A 20 20 ASN HA H 20 4.226 4.253 -0.027 1
1 195 . 3 1 1 A 20 20 ASN CA C 20 53.211 53.752 -0.541 1
1 196 . 3 1 1 A 20 20 ASN CB C 20 37.021 36.856 0.165 1
1 197 . 3 1 1 A 20 20 ASN N N 20 121.098 118.711 2.387 1
1 198 . 3 1 1 A 21 21 LYS H H 21 8.010 7.928 0.082 1
1 199 . 3 1 1 A 21 21 LYS HA H 21 4.077 4.496 -0.419 1
1 208 . 3 1 1 A 21 21 LYS CA C 21 56.558 54.338 2.220 1
1 209 . 3 1 1 A 21 21 LYS CB C 21 32.435 32.703 -0.268 1
1 213 . 3 1 1 A 21 21 LYS N N 21 122.666 121.573 1.093 1
1 214 . 3 1 1 A 22 22 ARG H H 22 8.007 8.665 -0.658 1
1 215 . 3 1 1 A 22 22 ARG HA H 22 4.257 3.708 0.549 1
1 222 . 3 1 1 A 22 22 ARG CA C 22 56.480 58.280 -1.800 1
1 223 . 3 1 1 A 22 22 ARG CB C 22 30.000 28.353 1.647 1
1 226 . 3 1 1 A 22 22 ARG N N 22 117.459 120.654 -3.195 1
1 227 . 3 1 1 A 23 23 TRP H H 23 7.211 7.277 -0.066 1
1 228 . 3 1 1 A 23 23 TRP HA H 23 4.938 4.726 0.212 1
1 237 . 3 1 1 A 23 23 TRP CA C 23 55.206 58.525 -3.319 1
1 238 . 3 1 1 A 23 23 TRP CB C 23 30.772 29.983 0.789 1
1 244 . 3 1 1 A 23 23 TRP N N 23 118.844 121.532 -2.688 1
1 246 . 3 1 1 A 24 24 SER H H 24 8.764 9.134 -0.370 1
1 247 . 3 1 1 A 24 24 SER HA H 24 4.520 4.666 -0.146 1
1 250 . 3 1 1 A 24 24 SER CA C 24 57.647 58.154 -0.507 1
1 251 . 3 1 1 A 24 24 SER CB C 24 64.419 64.516 -0.097 1
1 252 . 3 1 1 A 24 24 SER N N 24 117.454 120.123 -2.669 1
1 253 . 3 1 1 A 25 25 GLU H H 25 8.976 9.067 -0.091 1
1 254 . 3 1 1 A 25 25 GLU HA H 25 4.076 4.120 -0.044 1
1 259 . 3 1 1 A 25 25 GLU CA C 25 59.360 59.182 0.178 1
1 260 . 3 1 1 A 25 25 GLU CB C 25 28.960 29.225 -0.265 1
1 262 . 3 1 1 A 25 25 GLU N N 25 122.323 123.209 -0.886 1
1 263 . 3 1 1 A 26 26 ASP H H 26 8.608 8.181 0.427 1
1 264 . 3 1 1 A 26 26 ASP HA H 26 4.400 4.309 0.091 1
1 267 . 3 1 1 A 26 26 ASP CA C 26 56.327 57.290 -0.963 1
1 268 . 3 1 1 A 26 26 ASP CB C 26 40.700 41.830 -1.130 1
1 269 . 3 1 1 A 26 26 ASP N N 26 118.165 120.745 -2.580 1
1 270 . 3 1 1 A 27 27 HIS H H 27 7.891 7.839 0.052 1
1 271 . 3 1 1 A 27 27 HIS HA H 27 4.247 4.354 -0.107 1
1 275 . 3 1 1 A 27 27 HIS CA C 27 58.271 59.397 -1.126 1
1 276 . 3 1 1 A 27 27 HIS CB C 27 30.483 29.762 0.721 1
1 278 . 3 1 1 A 27 27 HIS N N 27 120.183 117.440 2.743 1
1 279 . 3 1 1 A 28 28 ARG H H 28 8.676 8.266 0.410 1
1 280 . 3 1 1 A 28 28 ARG HA H 28 3.720 3.854 -0.134 1
1 287 . 3 1 1 A 28 28 ARG CA C 28 59.444 59.775 -0.331 1
1 288 . 3 1 1 A 28 28 ARG CB C 28 30.315 30.097 0.218 1
1 291 . 3 1 1 A 28 28 ARG N N 28 118.156 120.871 -2.715 1
1 292 . 3 1 1 A 29 29 SER H H 29 8.359 7.906 0.453 1
1 293 . 3 1 1 A 29 29 SER HA H 29 4.295 4.135 0.160 1
1 296 . 3 1 1 A 29 29 SER CA C 29 60.916 61.956 -1.040 1
1 297 . 3 1 1 A 29 29 SER CB C 29 62.629 62.880 -0.251 1
1 298 . 3 1 1 A 29 29 SER N N 29 115.374 117.285 -1.911 1
1 299 . 3 1 1 A 30 30 ARG H H 30 7.860 7.661 0.199 1
1 300 . 3 1 1 A 30 30 ARG HA H 30 3.850 4.061 -0.211 1
1 307 . 3 1 1 A 30 30 ARG CA C 30 59.162 59.111 0.051 1
1 308 . 3 1 1 A 30 30 ARG CB C 30 30.171 30.062 0.109 1
1 311 . 3 1 1 A 30 30 ARG N N 30 124.066 122.061 2.005 1
1 312 . 3 1 1 A 31 31 VAL H H 31 7.928 8.557 -0.629 1
1 313 . 3 1 1 A 31 31 VAL HA H 31 4.728 3.958 0.770 1
1 321 . 3 1 1 A 31 31 VAL CA C 31 66.054 64.437 1.617 1
1 322 . 3 1 1 A 31 31 VAL CB C 31 31.961 31.560 0.401 1
1 325 . 3 1 1 A 31 31 VAL N N 31 116.760 119.418 -2.658 1
1 326 . 3 1 1 A 32 32 LEU H H 32 7.314 7.801 -0.487 1
1 327 . 3 1 1 A 32 32 LEU HA H 32 3.867 4.025 -0.158 1
1 337 . 3 1 1 A 32 32 LEU CA C 32 57.406 58.189 -0.783 1
1 338 . 3 1 1 A 32 32 LEU CB C 32 40.912 41.814 -0.902 1
1 342 . 3 1 1 A 32 32 LEU N N 32 117.541 122.137 -4.596 1
1 343 . 3 1 1 A 33 33 ARG H H 33 7.914 8.289 -0.375 1
1 344 . 3 1 1 A 33 33 ARG HA H 33 4.070 3.985 0.085 1
1 351 . 3 1 1 A 33 33 ARG CA C 33 58.815 59.832 -1.017 1
1 352 . 3 1 1 A 33 33 ARG CB C 33 29.393 29.968 -0.575 1
1 355 . 3 1 1 A 33 33 ARG N N 33 118.510 120.083 -1.573 1
1 356 . 3 1 1 A 34 34 TYR H H 34 8.211 7.937 0.274 1
1 357 . 3 1 1 A 34 34 TYR HA H 34 4.533 4.178 0.355 1
1 364 . 3 1 1 A 34 34 TYR CA C 34 59.593 60.957 -1.364 1
1 365 . 3 1 1 A 34 34 TYR CB C 34 37.021 38.872 -1.851 1
1 368 . 3 1 1 A 34 34 TYR N N 34 116.416 121.130 -4.714 1
1 369 . 3 1 1 A 35 35 LEU H H 35 7.904 8.630 -0.726 1
1 370 . 3 1 1 A 35 35 LEU HA H 35 3.670 3.995 -0.325 1
1 380 . 3 1 1 A 35 35 LEU CA C 35 57.967 58.200 -0.233 1
1 381 . 3 1 1 A 35 35 LEU CB C 35 40.740 41.538 -0.798 1
1 385 . 3 1 1 A 35 35 LEU N N 35 118.885 121.021 -2.136 1
1 386 . 3 1 1 A 36 36 GLU H H 36 8.662 8.158 0.504 1
1 387 . 3 1 1 A 36 36 GLU HA H 36 3.993 4.468 -0.475 1
1 392 . 3 1 1 A 36 36 GLU CA C 36 59.749 59.170 0.579 1
1 393 . 3 1 1 A 36 36 GLU CB C 36 29.887 28.899 0.988 1
1 395 . 3 1 1 A 36 36 GLU N N 36 120.936 117.546 3.390 1
1 396 . 3 1 1 A 37 37 LEU H H 37 8.195 7.767 0.428 1
1 397 . 3 1 1 A 37 37 LEU HA H 37 3.979 4.072 -0.093 1
1 407 . 3 1 1 A 37 37 LEU CA C 37 56.947 57.267 -0.320 1
1 408 . 3 1 1 A 37 37 LEU CB C 37 42.936 41.449 1.487 1
1 412 . 3 1 1 A 37 37 LEU N N 37 116.413 120.892 -4.479 1
1 413 . 3 1 1 A 38 38 TYR H H 38 7.663 7.726 -0.063 1
1 414 . 3 1 1 A 38 38 TYR HA H 38 4.951 4.087 0.864 1
1 421 . 3 1 1 A 38 38 TYR CA C 38 58.581 60.570 -1.989 1
1 422 . 3 1 1 A 38 38 TYR CB C 38 41.068 39.059 2.009 1
1 425 . 3 1 1 A 38 38 TYR N N 38 110.509 120.221 -9.712 1
1 426 . 3 1 1 A 39 39 ILE H H 39 7.833 8.198 -0.365 1
1 427 . 3 1 1 A 39 39 ILE HA H 39 4.642 3.897 0.745 1
1 437 . 3 1 1 A 39 39 ILE CA C 39 60.000 62.161 -2.161 1
1 438 . 3 1 1 A 39 39 ILE CB C 39 37.111 39.093 -1.982 1
1 442 . 3 1 1 A 39 39 ILE N N 39 116.068 118.317 -2.249 1
1 443 . 3 1 1 A 40 40 PHE H H 40 9.117 7.745 1.372 1
1 444 . 3 1 1 A 40 40 PHE HA H 40 4.634 5.071 -0.437 1
1 452 . 3 1 1 A 40 40 PHE CA C 40 57.492 54.859 2.633 1
1 453 . 3 1 1 A 40 40 PHE CB C 40 34.374 38.631 -4.257 1
1 457 . 3 1 1 A 40 40 PHE N N 40 121.241 119.590 1.651 1
1 458 . 3 1 1 A 41 41 PRO HA H 41 4.388 4.319 0.069 1
1 465 . 3 1 1 A 41 41 PRO CA C 41 66.132 65.850 0.282 1
1 466 . 3 1 1 A 41 41 PRO CB C 41 31.261 31.295 -0.034 1
1 469 . 3 1 1 A 42 42 HIS H H 42 7.153 7.890 -0.737 1
1 470 . 3 1 1 A 42 42 HIS HA H 42 4.678 4.617 0.061 1
1 474 . 3 1 1 A 42 42 HIS CA C 42 57.336 56.976 0.360 1
1 475 . 3 1 1 A 42 42 HIS CB C 42 32.895 31.656 1.239 1
1 477 . 3 1 1 A 42 42 HIS N N 42 111.205 114.870 -3.665 1
1 478 . 3 1 1 A 43 43 ILE H H 43 7.327 7.926 -0.599 1
1 479 . 3 1 1 A 43 43 ILE HA H 43 4.938 4.141 0.797 1
1 489 . 3 1 1 A 43 43 ILE CA C 43 60.527 62.067 -1.540 1
1 490 . 3 1 1 A 43 43 ILE CB C 43 40.445 37.490 2.955 1
1 494 . 3 1 1 A 43 43 ILE N N 43 105.996 113.066 -7.070 1
1 495 . 3 1 1 A 44 44 GLY H H 44 8.958 8.283 0.675 1
1 496 . 3 1 1 A 44 44 GLY HA2 H 44 4.340 3.796 0.544 1
1 497 . 3 1 1 A 44 44 GLY HA3 H 44 3.855 3.912 -0.057 1
1 498 . 3 1 1 A 44 44 GLY CA C 44 48.385 45.865 2.520 1
1 499 . 3 1 1 A 44 44 GLY N N 44 110.704 112.597 -1.893 1
1 500 . 3 1 1 A 45 45 SER H H 45 8.294 7.985 0.309 1
1 501 . 3 1 1 A 45 45 SER HA H 45 4.517 4.319 0.198 1
1 504 . 3 1 1 A 45 45 SER CA C 45 58.270 59.274 -1.004 1
1 505 . 3 1 1 A 45 45 SER CB C 45 63.563 63.676 -0.113 1
1 506 . 3 1 1 A 45 45 SER N N 45 110.505 112.932 -2.427 1
1 507 . 3 1 1 A 46 46 SER H H 46 7.689 7.288 0.401 1
1 508 . 3 1 1 A 46 46 SER HA H 46 4.322 4.402 -0.080 1
1 511 . 3 1 1 A 46 46 SER CA C 46 59.282 59.169 0.113 1
1 512 . 3 1 1 A 46 46 SER CB C 46 63.719 64.014 -0.295 1
1 513 . 3 1 1 A 46 46 SER N N 46 119.190 119.237 -0.047 1
1 514 . 3 1 1 A 47 47 ASP H H 47 8.646 8.380 0.266 1
1 515 . 3 1 1 A 47 47 ASP HA H 47 4.446 4.921 -0.475 1
1 518 . 3 1 1 A 47 47 ASP CA C 47 54.145 53.923 0.222 1
1 519 . 3 1 1 A 47 47 ASP CB C 47 41.652 42.784 -1.132 1
1 520 . 3 1 1 A 47 47 ASP N N 47 124.868 124.682 0.186 1
1 521 . 3 1 1 A 48 48 ILE H H 48 9.406 8.777 0.629 1
1 522 . 3 1 1 A 48 48 ILE HA H 48 4.091 4.383 -0.292 1
1 532 . 3 1 1 A 48 48 ILE CA C 48 63.844 63.420 0.424 1
1 533 . 3 1 1 A 48 48 ILE CB C 48 39.845 38.481 1.364 1
1 537 . 3 1 1 A 48 48 ILE N N 48 129.573 127.076 2.497 1
1 538 . 3 1 1 A 49 49 ARG H H 49 9.004 8.250 0.754 1
1 539 . 3 1 1 A 49 49 ARG HA H 49 4.166 4.243 -0.077 1
1 546 . 3 1 1 A 49 49 ARG CA C 49 57.534 58.335 -0.801 1
1 547 . 3 1 1 A 49 49 ARG CB C 49 29.870 30.957 -1.087 1
1 548 . 3 1 1 A 49 49 ARG N N 49 119.541 121.199 -1.658 1
1 549 . 3 1 1 A 50 50 GLN H H 50 7.868 7.572 0.296 1
1 550 . 3 1 1 A 50 50 GLN HA H 50 4.498 4.754 -0.256 1
1 557 . 3 1 1 A 50 50 GLN CA C 50 54.633 55.054 -0.421 1
1 558 . 3 1 1 A 50 50 GLN CB C 50 29.548 29.501 0.047 1
1 560 . 3 1 1 A 50 50 GLN N N 50 114.374 118.311 -3.937 1
1 562 . 3 1 1 A 51 51 LEU H H 51 6.799 8.832 -2.033 1
1 563 . 3 1 1 A 51 51 LEU HA H 51 4.516 5.105 -0.589 1
1 573 . 3 1 1 A 51 51 LEU CA C 51 54.519 54.247 0.272 1
1 574 . 3 1 1 A 51 51 LEU CB C 51 43.014 44.708 -1.694 1
1 578 . 3 1 1 A 51 51 LEU N N 51 119.548 129.094 -9.546 1
1 579 . 3 1 1 A 52 52 LYS H H 52 10.373 8.514 1.859 1
1 580 . 3 1 1 A 52 52 LYS HA H 52 4.725 4.796 -0.071 1
1 589 . 3 1 1 A 52 52 LYS CA C 52 53.806 54.508 -0.702 1
1 590 . 3 1 1 A 52 52 LYS CB C 52 34.394 35.199 -0.805 1
1 594 . 3 1 1 A 52 52 LYS N N 52 125.943 123.650 2.293 1
1 595 . 3 1 1 A 53 53 THR H H 53 8.724 8.835 -0.111 1
1 596 . 3 1 1 A 53 53 THR HA H 53 4.727 4.761 -0.034 1
1 601 . 3 1 1 A 53 53 THR CA C 53 57.570 60.788 -3.218 1
1 602 . 3 1 1 A 53 53 THR CB C 53 68.467 70.149 -1.682 1
1 604 . 3 1 1 A 53 53 THR N N 53 117.533 113.163 4.370 1
1 605 . 3 1 1 A 54 54 SER H H 54 8.416 8.942 -0.526 1
1 606 . 3 1 1 A 54 54 SER HA H 54 4.743 4.303 0.440 1
1 609 . 3 1 1 A 54 54 SER CA C 54 61.306 60.331 0.975 1
1 610 . 3 1 1 A 54 54 SER CB C 54 61.132 62.828 -1.696 1
1 611 . 3 1 1 A 54 54 SER N N 54 112.941 116.072 -3.131 1
1 612 . 3 1 1 A 55 55 HIS H H 55 7.077 8.014 -0.937 1
1 613 . 3 1 1 A 55 55 HIS HA H 55 4.425 4.343 0.082 1
1 617 . 3 1 1 A 55 55 HIS CA C 55 58.659 59.465 -0.806 1
1 618 . 3 1 1 A 55 55 HIS CB C 55 33.051 30.363 2.688 1
1 620 . 3 1 1 A 55 55 HIS N N 55 120.680 118.571 2.109 1
1 621 . 3 1 1 A 56 56 LEU H H 56 7.410 7.640 -0.230 1
1 622 . 3 1 1 A 56 56 LEU HA H 56 3.916 4.034 -0.118 1
1 632 . 3 1 1 A 56 56 LEU CA C 56 56.558 57.279 -0.721 1
1 633 . 3 1 1 A 56 56 LEU CB C 56 42.547 41.403 1.144 1
1 637 . 3 1 1 A 56 56 LEU N N 56 115.029 115.673 -0.644 1
1 638 . 3 1 1 A 57 57 LEU H H 57 7.906 7.696 0.210 1
1 639 . 3 1 1 A 57 57 LEU HA H 57 4.073 4.078 -0.005 1
1 649 . 3 1 1 A 57 57 LEU CA C 57 56.047 57.273 -1.226 1
1 650 . 3 1 1 A 57 57 LEU CB C 57 42.575 41.125 1.450 1
1 654 . 3 1 1 A 57 57 LEU N N 57 113.214 121.586 -8.372 1
1 655 . 3 1 1 A 58 58 ALA H H 58 7.367 8.381 -1.014 1
1 656 . 3 1 1 A 58 58 ALA HA H 58 4.176 4.014 0.162 1
1 660 . 3 1 1 A 58 58 ALA CA C 58 57.049 57.222 -0.173 1
1 661 . 3 1 1 A 58 58 ALA CB C 58 15.362 17.076 -1.714 1
1 662 . 3 1 1 A 58 58 ALA N N 58 120.662 121.276 -0.614 1
1 663 . 3 1 1 A 59 59 PRO HA H 59 4.133 4.625 -0.492 1
1 670 . 3 1 1 A 59 59 PRO CA C 59 65.120 66.086 -0.966 1
1 671 . 3 1 1 A 59 59 PRO CB C 59 31.183 30.616 0.567 1
1 674 . 3 1 1 A 60 60 ILE H H 60 6.643 7.521 -0.878 1
1 675 . 3 1 1 A 60 60 ILE HA H 60 3.383 3.665 -0.282 1
1 685 . 3 1 1 A 60 60 ILE CA C 60 64.886 63.830 1.056 1
1 686 . 3 1 1 A 60 60 ILE CB C 60 37.799 37.065 0.734 1
1 690 . 3 1 1 A 60 60 ILE N N 60 117.809 115.851 1.958 1
1 691 . 3 1 1 A 61 61 LYS H H 61 8.635 7.898 0.737 1
1 692 . 3 1 1 A 61 61 LYS HA H 61 3.992 4.110 -0.118 1
1 701 . 3 1 1 A 61 61 LYS CA C 61 59.048 59.505 -0.457 1
1 702 . 3 1 1 A 61 61 LYS CB C 61 31.678 32.107 -0.429 1
1 706 . 3 1 1 A 61 61 LYS N N 61 120.585 120.102 0.483 1
1 707 . 3 1 1 A 62 62 GLU H H 62 7.664 7.975 -0.311 1
1 708 . 3 1 1 A 62 62 GLU HA H 62 3.992 4.087 -0.095 1
1 713 . 3 1 1 A 62 62 GLU CA C 62 59.593 59.110 0.483 1
1 714 . 3 1 1 A 62 62 GLU CB C 62 28.975 29.330 -0.355 1
1 716 . 3 1 1 A 62 62 GLU N N 62 118.505 120.102 -1.597 1
1 717 . 3 1 1 A 63 63 VAL H H 63 7.227 7.498 -0.271 1
1 718 . 3 1 1 A 63 63 VAL HA H 63 3.545 3.480 0.065 1
1 726 . 3 1 1 A 63 63 VAL CA C 63 65.663 66.157 -0.494 1
1 727 . 3 1 1 A 63 63 VAL CB C 63 31.650 31.570 0.080 1
1 730 . 3 1 1 A 63 63 VAL N N 63 119.540 120.856 -1.316 1
1 731 . 3 1 1 A 64 64 ASP H H 64 8.281 8.069 0.212 1
1 732 . 3 1 1 A 64 64 ASP HA H 64 3.984 4.627 -0.643 1
1 735 . 3 1 1 A 64 64 ASP CA C 64 58.860 57.350 1.510 1
1 736 . 3 1 1 A 64 64 ASP CB C 64 42.561 42.220 0.341 1
1 737 . 3 1 1 A 64 64 ASP N N 64 122.316 120.360 1.956 1
1 738 . 3 1 1 A 65 65 THR H H 65 8.818 8.277 0.541 1
1 739 . 3 1 1 A 65 65 THR HA H 65 4.310 3.981 0.329 1
1 744 . 3 1 1 A 65 65 THR CA C 65 68.825 66.202 2.623 1
1 745 . 3 1 1 A 65 65 THR CB C 65 65.195 68.257 -3.062 1
1 747 . 3 1 1 A 65 65 THR N N 65 112.808 116.669 -3.861 1
1 748 . 3 1 1 A 66 66 SER H H 66 7.596 7.705 -0.109 1
1 749 . 3 1 1 A 66 66 SER HA H 66 4.469 4.375 0.094 1
1 752 . 3 1 1 A 66 66 SER CA C 66 59.827 59.981 -0.154 1
1 753 . 3 1 1 A 66 66 SER CB C 66 63.641 63.967 -0.326 1
1 754 . 3 1 1 A 66 66 SER N N 66 116.412 115.317 1.095 1
1 755 . 3 1 1 A 67 67 GLY H H 67 7.781 7.741 0.040 1
1 756 . 3 1 1 A 67 67 GLY HA2 H 67 4.467 4.133 0.334 1
1 757 . 3 1 1 A 67 67 GLY HA3 H 67 3.355 4.150 -0.795 1
1 758 . 3 1 1 A 67 67 GLY CA C 67 44.337 45.186 -0.849 1
1 759 . 3 1 1 A 67 67 GLY N N 67 108.565 107.525 1.040 1
1 760 . 3 1 1 A 68 68 LYS H H 68 6.932 8.951 -2.019 1
1 761 . 3 1 1 A 68 68 LYS HA H 68 4.706 3.886 0.820 1
1 770 . 3 1 1 A 68 68 LYS CA C 68 54.145 57.391 -3.246 1
1 771 . 3 1 1 A 68 68 LYS CB C 68 30.325 29.373 0.952 1
1 775 . 3 1 1 A 68 68 LYS N N 68 121.979 118.501 3.478 1
1 776 . 3 1 1 A 69 69 HIS H H 69 7.630 8.277 -0.647 1
1 777 . 3 1 1 A 69 69 HIS HA H 69 4.544 4.308 0.236 1
1 780 . 3 1 1 A 69 69 HIS CA C 69 58.270 59.093 -0.823 1
1 781 . 3 1 1 A 69 69 HIS CB C 69 28.303 29.012 -0.709 1
1 782 . 3 1 1 A 69 69 HIS N N 69 119.617 117.700 1.917 1
1 783 . 3 1 1 A 70 70 ASP H H 70 8.779 7.837 0.942 1
1 784 . 3 1 1 A 70 70 ASP HA H 70 4.330 4.180 0.150 1
1 787 . 3 1 1 A 70 70 ASP CA C 70 56.869 57.204 -0.335 1
1 788 . 3 1 1 A 70 70 ASP CB C 70 39.433 41.056 -1.623 1
1 789 . 3 1 1 A 70 70 ASP N N 70 118.586 121.632 -3.046 1
1 790 . 3 1 1 A 71 71 VAL H H 71 7.575 8.120 -0.545 1
1 791 . 3 1 1 A 71 71 VAL HA H 71 3.232 3.802 -0.570 1
1 799 . 3 1 1 A 71 71 VAL CA C 71 66.131 65.094 1.037 1
1 800 . 3 1 1 A 71 71 VAL CB C 71 31.105 31.323 -0.218 1
1 803 . 3 1 1 A 71 71 VAL N N 71 121.186 118.317 2.869 1
1 804 . 3 1 1 A 72 72 ALA H H 72 8.022 8.418 -0.396 1
1 805 . 3 1 1 A 72 72 ALA HA H 72 3.682 4.071 -0.389 1
1 809 . 3 1 1 A 72 72 ALA CA C 72 55.702 55.956 -0.254 1
1 810 . 3 1 1 A 72 72 ALA CB C 72 18.028 18.235 -0.207 1
1 811 . 3 1 1 A 72 72 ALA N N 72 120.675 123.642 -2.967 1
1 812 . 3 1 1 A 73 73 GLN H H 73 7.793 8.259 -0.466 1
1 813 . 3 1 1 A 73 73 GLN HA H 73 3.971 4.005 -0.034 1
1 820 . 3 1 1 A 73 73 GLN CA C 73 58.872 59.067 -0.195 1
1 821 . 3 1 1 A 73 73 GLN CB C 73 28.073 28.675 -0.602 1
1 823 . 3 1 1 A 73 73 GLN N N 73 115.949 116.941 -0.992 1
1 825 . 3 1 1 A 74 74 ARG H H 74 7.795 8.061 -0.266 1
1 826 . 3 1 1 A 74 74 ARG HA H 74 4.108 4.243 -0.135 1
1 833 . 3 1 1 A 74 74 ARG CA C 74 59.282 58.718 0.564 1
1 834 . 3 1 1 A 74 74 ARG CB C 74 29.857 29.931 -0.074 1
1 837 . 3 1 1 A 74 74 ARG N N 74 119.896 120.161 -0.265 1
1 838 . 3 1 1 A 75 75 LEU H H 75 8.850 8.492 0.358 1
1 839 . 3 1 1 A 75 75 LEU HA H 75 3.935 4.142 -0.207 1
1 849 . 3 1 1 A 75 75 LEU CA C 75 57.803 57.798 0.005 1
1 850 . 3 1 1 A 75 75 LEU CB C 75 42.858 41.406 1.452 1
1 854 . 3 1 1 A 75 75 LEU N N 75 118.044 119.725 -1.681 1
1 855 . 3 1 1 A 76 76 GLN H H 76 8.412 8.877 -0.465 1
1 856 . 3 1 1 A 76 76 GLN HA H 76 3.790 4.007 -0.217 1
1 861 . 3 1 1 A 76 76 GLN CA C 76 60.294 58.527 1.767 1
1 862 . 3 1 1 A 76 76 GLN CB C 76 27.995 28.327 -0.332 1
1 864 . 3 1 1 A 76 76 GLN N N 76 119.109 117.382 1.727 1
1 865 . 3 1 1 A 77 77 GLN H H 77 7.788 7.908 -0.120 1
1 866 . 3 1 1 A 77 77 GLN HA H 77 4.090 4.083 0.007 1
1 873 . 3 1 1 A 77 77 GLN CA C 77 59.318 58.477 0.841 1
1 874 . 3 1 1 A 77 77 GLN CB C 77 28.054 28.575 -0.521 1
1 876 . 3 1 1 A 77 77 GLN N N 77 119.616 119.364 0.252 1
1 878 . 3 1 1 A 78 78 ARG H H 78 8.552 8.381 0.171 1
1 879 . 3 1 1 A 78 78 ARG HA H 78 4.171 4.250 -0.079 1
1 886 . 3 1 1 A 78 78 ARG CA C 78 57.946 59.017 -1.071 1
1 887 . 3 1 1 A 78 78 ARG CB C 78 28.958 30.400 -1.442 1
1 890 . 3 1 1 A 78 78 ARG N N 78 118.044 117.852 0.192 1
1 891 . 3 1 1 A 79 79 VAL H H 79 8.958 7.938 1.020 1
1 892 . 3 1 1 A 79 79 VAL HA H 79 3.603 3.872 -0.269 1
1 900 . 3 1 1 A 79 79 VAL CA C 79 67.284 66.228 1.056 1
1 901 . 3 1 1 A 79 79 VAL CB C 79 31.228 31.889 -0.661 1
1 904 . 3 1 1 A 79 79 VAL N N 79 116.998 120.842 -3.844 1
1 905 . 3 1 1 A 80 80 THR H H 80 7.938 8.281 -0.343 1
1 906 . 3 1 1 A 80 80 THR HA H 80 4.301 3.873 0.428 1
1 911 . 3 1 1 A 80 80 THR CA C 80 67.976 66.303 1.673 1
1 912 . 3 1 1 A 80 80 THR CB C 80 67.466 68.654 -1.188 1
1 914 . 3 1 1 A 80 80 THR N N 80 115.701 116.566 -0.865 1
1 915 . 3 1 1 A 81 81 ALA H H 81 7.656 8.113 -0.457 1
1 916 . 3 1 1 A 81 81 ALA HA H 81 4.070 3.937 0.133 1
1 920 . 3 1 1 A 81 81 ALA CA C 81 55.232 54.960 0.272 1
1 921 . 3 1 1 A 81 81 ALA CB C 81 18.087 17.700 0.387 1
1 922 . 3 1 1 A 81 81 ALA N N 81 124.407 122.886 1.521 1
1 923 . 3 1 1 A 82 82 ILE H H 82 7.901 7.667 0.234 1
1 924 . 3 1 1 A 82 82 ILE HA H 82 2.733 3.603 -0.870 1
1 934 . 3 1 1 A 82 82 ILE CA C 82 65.450 65.115 0.335 1
1 935 . 3 1 1 A 82 82 ILE CB C 82 37.569 37.699 -0.130 1
1 939 . 3 1 1 A 82 82 ILE N N 82 121.196 119.509 1.687 1
1 940 . 3 1 1 A 83 83 MET H H 83 8.258 8.096 0.162 1
1 941 . 3 1 1 A 83 83 MET HA H 83 4.556 4.093 0.463 1
1 949 . 3 1 1 A 83 83 MET CA C 83 56.403 58.795 -2.392 1
1 950 . 3 1 1 A 83 83 MET CB C 83 29.782 32.099 -2.317 1
1 953 . 3 1 1 A 83 83 MET N N 83 120.154 118.195 1.959 1
1 954 . 3 1 1 A 84 84 ARG H H 84 7.915 7.706 0.209 1
1 955 . 3 1 1 A 84 84 ARG HA H 84 4.039 3.954 0.085 1
1 962 . 3 1 1 A 84 84 ARG CA C 84 59.749 59.413 0.336 1
1 963 . 3 1 1 A 84 84 ARG CB C 84 30.000 30.072 -0.072 1
1 966 . 3 1 1 A 84 84 ARG N N 84 116.534 120.793 -4.259 1
1 967 . 3 1 1 A 85 85 TYR H H 85 8.221 7.755 0.466 1
1 968 . 3 1 1 A 85 85 TYR HA H 85 4.255 4.241 0.014 1
1 975 . 3 1 1 A 85 85 TYR CA C 85 61.382 61.751 -0.369 1
1 976 . 3 1 1 A 85 85 TYR CB C 85 38.499 38.669 -0.170 1
1 979 . 3 1 1 A 85 85 TYR N N 85 122.313 120.740 1.573 1
1 980 . 3 1 1 A 86 86 ALA H H 86 8.804 8.441 0.363 1
1 981 . 3 1 1 A 86 86 ALA HA H 86 4.223 4.121 0.102 1
1 985 . 3 1 1 A 86 86 ALA CA C 86 55.043 55.181 -0.138 1
1 986 . 3 1 1 A 86 86 ALA CB C 86 18.087 18.455 -0.368 1
1 987 . 3 1 1 A 86 86 ALA N N 86 123.291 121.856 1.435 1
1 988 . 3 1 1 A 87 87 VAL H H 87 8.113 7.820 0.293 1
1 989 . 3 1 1 A 87 87 VAL HA H 87 4.170 3.281 0.889 1
1 997 . 3 1 1 A 87 87 VAL CA C 87 65.146 66.747 -1.601 1
1 998 . 3 1 1 A 87 87 VAL CB C 87 31.897 31.338 0.559 1
1 1001 . 3 1 1 A 87 87 VAL N N 87 120.144 118.114 2.030 1
1 1002 . 3 1 1 A 88 88 GLN H H 88 8.458 8.147 0.311 1
1 1003 . 3 1 1 A 88 88 GLN HA H 88 3.983 3.967 0.016 1
1 1010 . 3 1 1 A 88 88 GLN CA C 88 58.270 58.572 -0.302 1
1 1011 . 3 1 1 A 88 88 GLN CB C 88 28.075 27.854 0.221 1
1 1013 . 3 1 1 A 88 88 GLN N N 88 120.751 119.239 1.512 1
1 1015 . 3 1 1 A 89 89 ASN H H 89 7.359 7.521 -0.162 1
1 1016 . 3 1 1 A 89 89 ASN HA H 89 4.486 4.795 -0.309 1
1 1021 . 3 1 1 A 89 89 ASN CA C 89 53.444 53.291 0.153 1
1 1022 . 3 1 1 A 89 89 ASN CB C 89 38.932 39.156 -0.224 1
1 1023 . 3 1 1 A 89 89 ASN N N 89 113.850 115.774 -1.924 1
1 1025 . 3 1 1 A 90 90 ASP H H 90 7.849 7.805 0.044 1
1 1026 . 3 1 1 A 90 90 ASP HA H 90 4.387 4.375 0.012 1
1 1029 . 3 1 1 A 90 90 ASP CA C 90 55.935 55.407 0.528 1
1 1030 . 3 1 1 A 90 90 ASP CB C 90 38.811 38.781 0.030 1
1 1031 . 3 1 1 A 90 90 ASP N N 90 113.293 117.055 -3.762 1
1 1032 . 3 1 1 A 91 91 TYR H H 91 8.489 8.118 0.371 1
1 1033 . 3 1 1 A 91 91 TYR HA H 91 4.589 4.554 0.035 1
1 1040 . 3 1 1 A 91 91 TYR CA C 91 60.000 57.448 2.552 1
1 1041 . 3 1 1 A 91 91 TYR CB C 91 38.811 39.568 -0.757 1
1 1044 . 3 1 1 A 91 91 TYR N N 91 116.072 113.850 2.222 1
1 1045 . 3 1 1 A 92 92 ILE H H 92 7.131 7.377 -0.246 1
1 1046 . 3 1 1 A 92 92 ILE HA H 92 4.684 4.827 -0.143 1
1 1056 . 3 1 1 A 92 92 ILE CA C 92 59.126 59.146 -0.020 1
1 1057 . 3 1 1 A 92 92 ILE CB C 92 41.846 41.906 -0.060 1
1 1061 . 3 1 1 A 92 92 ILE N N 92 107.409 115.847 -8.438 1
1 1062 . 3 1 1 A 93 93 ASP H H 93 8.731 8.893 -0.162 1
1 1063 . 3 1 1 A 93 93 ASP HA H 93 4.707 4.972 -0.265 1
1 1066 . 3 1 1 A 93 93 ASP CA C 93 54.689 52.783 1.906 1
1 1067 . 3 1 1 A 93 93 ASP CB C 93 41.924 41.648 0.276 1
1 1068 . 3 1 1 A 93 93 ASP N N 93 118.847 126.415 -7.568 1
1 1069 . 3 1 1 A 94 94 SER H H 94 7.638 8.587 -0.949 1
1 1070 . 3 1 1 A 94 94 SER HA H 94 4.491 4.670 -0.179 1
1 1073 . 3 1 1 A 94 94 SER CA C 94 57.102 59.175 -2.073 1
1 1074 . 3 1 1 A 94 94 SER CB C 94 64.186 65.887 -1.701 1
1 1075 . 3 1 1 A 94 94 SER N N 94 112.240 120.706 -8.466 1
1 1076 . 3 1 1 A 95 95 ASN H H 95 8.801 8.218 0.583 1
1 1077 . 3 1 1 A 95 95 ASN HA H 95 4.942 4.358 0.584 1
1 1082 . 3 1 1 A 95 95 ASN CA C 95 49.941 53.919 -3.978 1
1 1083 . 3 1 1 A 95 95 ASN CB C 95 39.356 36.989 2.367 1
1 1084 . 3 1 1 A 95 95 ASN N N 95 119.551 118.907 0.644 1
1 1086 . 3 1 1 A 96 96 PRO HA H 96 4.632 4.568 0.064 1
1 1093 . 3 1 1 A 96 96 PRO CA C 96 63.564 62.408 1.156 1
1 1094 . 3 1 1 A 96 96 PRO CB C 96 32.058 32.665 -0.607 1
1 1097 . 3 1 1 A 97 97 ALA H H 97 8.335 8.627 -0.292 1
1 1098 . 3 1 1 A 97 97 ALA HA H 97 4.436 4.033 0.403 1
1 1102 . 3 1 1 A 97 97 ALA CA C 97 52.055 54.043 -1.988 1
1 1103 . 3 1 1 A 97 97 ALA CB C 97 18.998 18.291 0.707 1
1 1104 . 3 1 1 A 97 97 ALA N N 97 121.226 119.826 1.400 1
1 1105 . 3 1 1 A 98 98 SER H H 98 7.600 8.311 -0.711 1
1 1106 . 3 1 1 A 98 98 SER HA H 98 4.168 4.223 -0.055 1
1 1109 . 3 1 1 A 98 98 SER CA C 98 60.372 61.637 -1.265 1
1 1110 . 3 1 1 A 98 98 SER CB C 98 63.018 62.342 0.676 1
1 1111 . 3 1 1 A 98 98 SER N N 98 114.935 111.639 3.296 1
1 1112 . 3 1 1 A 99 99 ASP H H 99 8.098 7.799 0.299 1
1 1113 . 3 1 1 A 99 99 ASP HA H 99 4.760 4.468 0.292 1
1 1116 . 3 1 1 A 99 99 ASP CA C 99 54.300 55.106 -0.806 1
1 1117 . 3 1 1 A 99 99 ASP CB C 99 40.835 40.811 0.024 1
1 1118 . 3 1 1 A 99 99 ASP N N 99 119.889 121.449 -1.560 1
1 1119 . 3 1 1 A 100 100 MET H H 100 7.885 7.963 -0.078 1
1 1120 . 3 1 1 A 100 100 MET HA H 100 4.205 4.247 -0.042 1
1 1128 . 3 1 1 A 100 100 MET CA C 100 57.025 58.073 -1.048 1
1 1129 . 3 1 1 A 100 100 MET CB C 100 33.038 32.647 0.391 1
1 1132 . 3 1 1 A 100 100 MET N N 100 119.185 119.150 0.035 1
1 1133 . 3 1 1 A 101 101 ALA H H 101 8.041 7.402 0.639 1
1 1134 . 3 1 1 A 101 101 ALA HA H 101 4.137 4.467 -0.330 1
1 1138 . 3 1 1 A 101 101 ALA CA C 101 53.655 51.009 2.646 1
1 1139 . 3 1 1 A 101 101 ALA CB C 101 18.537 18.361 0.176 1
1 1140 . 3 1 1 A 101 101 ALA N N 101 122.264 119.876 2.388 1
1 1141 . 3 1 1 A 102 102 GLY H H 102 8.293 8.568 -0.275 1
1 1142 . 3 1 1 A 102 102 GLY HA2 H 102 3.910 4.206 -0.296 1
1 1143 . 3 1 1 A 102 102 GLY HA3 H 102 3.913 4.208 -0.295 1
1 1144 . 3 1 1 A 102 102 GLY CA C 102 45.664 44.268 1.396 1
1 1145 . 3 1 1 A 102 102 GLY N N 102 107.557 109.581 -2.024 1
1 1146 . 3 1 1 A 103 103 ALA H H 103 7.955 8.313 -0.358 1
1 1147 . 3 1 1 A 103 103 ALA HA H 103 4.235 4.368 -0.133 1
1 1151 . 3 1 1 A 103 103 ALA CA C 103 53.423 51.730 1.693 1
1 1152 . 3 1 1 A 103 103 ALA CB C 103 19.219 18.229 0.990 1
1 1153 . 3 1 1 A 103 103 ALA N N 103 123.285 123.473 -0.188 1
1 1154 . 3 1 1 A 104 104 LEU H H 104 8.145 8.691 -0.546 1
1 1155 . 3 1 1 A 104 104 LEU HA H 104 4.301 4.508 -0.207 1
1 1165 . 3 1 1 A 104 104 LEU CA C 104 55.312 56.813 -1.501 1
1 1166 . 3 1 1 A 104 104 LEU CB C 104 41.644 43.813 -2.169 1
1 1170 . 3 1 1 A 104 104 LEU N N 104 118.570 126.609 -8.039 1
1 1171 . 3 1 1 A 105 105 SER H H 105 8.040 7.877 0.163 1
1 1172 . 3 1 1 A 105 105 SER HA H 105 4.390 4.607 -0.217 1
1 1175 . 3 1 1 A 105 105 SER CA C 105 58.893 57.745 1.148 1
1 1176 . 3 1 1 A 105 105 SER CB C 105 63.424 63.618 -0.194 1
1 1177 . 3 1 1 A 105 105 SER N N 105 115.022 113.332 1.690 1
1 1178 . 3 1 1 A 106 106 THR H H 106 8.032 7.636 0.396 1
1 1179 . 3 1 1 A 106 106 THR HA H 106 4.293 4.646 -0.353 1
1 1184 . 3 1 1 A 106 106 THR CA C 106 62.037 60.051 1.986 1
1 1185 . 3 1 1 A 106 106 THR CB C 106 69.401 71.396 -1.995 1
1 1187 . 3 1 1 A 106 106 THR N N 106 115.371 115.018 0.353 1
1 1188 . 3 1 1 A 107 107 THR H H 107 7.940 9.176 -1.236 1
1 1189 . 3 1 1 A 107 107 THR HA H 107 4.296 4.397 -0.101 1
1 1194 . 3 1 1 A 107 107 THR CA C 107 61.539 63.495 -1.956 1
1 1195 . 3 1 1 A 107 107 THR CB C 107 61.610 67.709 -6.099 1
1 1197 . 3 1 1 A 107 107 THR N N 107 122.759 118.776 3.983 1
1 1198 . 3 1 1 A 108 108 LYS H H 108 8.240 8.812 -0.572 1
1 1199 . 3 1 1 A 108 108 LYS HA H 108 4.241 3.978 0.263 1
1 1208 . 3 1 1 A 108 108 LYS CA C 108 56.324 57.162 -0.838 1
1 1209 . 3 1 1 A 108 108 LYS CB C 108 32.817 30.995 1.822 1
1 1213 . 3 1 1 A 108 108 LYS N N 108 124.773 124.897 -0.124 1
1 1214 . 3 1 1 A 109 109 ALA H H 109 8.131 8.191 -0.060 1
1 1215 . 3 1 1 A 109 109 ALA HA H 109 4.224 4.423 -0.199 1
1 1219 . 3 1 1 A 109 109 ALA CA C 109 52.432 53.218 -0.786 1
1 1220 . 3 1 1 A 109 109 ALA CB C 109 19.017 20.330 -1.313 1
1 1221 . 3 1 1 A 109 109 ALA N N 109 124.331 122.408 1.923 1
1 1222 . 3 1 1 A 110 110 ARG H H 110 8.114 8.093 0.021 1
1 1223 . 3 1 1 A 110 110 ARG HA H 110 4.191 4.031 0.160 1
1 1230 . 3 1 1 A 110 110 ARG CA C 110 56.013 56.988 -0.975 1
1 1231 . 3 1 1 A 110 110 ARG CB C 110 30.871 28.868 2.003 1
1 1234 . 3 1 1 A 110 110 ARG N N 110 119.544 118.019 1.525 1
1 1235 . 3 1 1 A 111 111 HIS H H 111 8.283 8.027 0.256 1
1 1236 . 3 1 1 A 111 111 HIS HA H 111 4.604 4.826 -0.222 1
1 1240 . 3 1 1 A 111 111 HIS CA C 111 55.448 55.783 -0.335 1
1 1241 . 3 1 1 A 111 111 HIS CB C 111 29.866 31.767 -1.901 1
1 1243 . 3 1 1 A 111 111 HIS N N 111 119.886 122.046 -2.160 1
1 1244 . 3 1 1 A 112 112 TYR H H 112 8.179 8.525 -0.346 1
1 1245 . 3 1 1 A 112 112 TYR HA H 112 4.766 4.696 0.070 1
1 1252 . 3 1 1 A 112 112 TYR CA C 112 55.701 56.690 -0.989 1
1 1253 . 3 1 1 A 112 112 TYR CB C 112 38.110 42.115 -4.005 1
1 1256 . 3 1 1 A 112 112 TYR N N 112 122.673 127.357 -4.684 1
1 1257 . 3 1 1 A 113 113 PRO HA H 113 4.399 4.615 -0.216 1
1 1264 . 3 1 1 A 113 113 PRO CA C 113 63.097 62.242 0.855 1
1 1265 . 3 1 1 A 113 113 PRO CB C 113 31.684 30.870 0.814 1
1 1268 . 3 1 1 A 114 114 LEU H H 114 8.225 8.273 -0.048 1
1 1269 . 3 1 1 A 114 114 LEU HA H 114 4.265 4.559 -0.294 1
1 1279 . 3 1 1 A 114 114 LEU CA C 114 55.069 54.243 0.826 1
1 1280 . 3 1 1 A 114 114 LEU CB C 114 42.104 42.065 0.039 1
1 1284 . 3 1 1 A 114 114 LEU N N 114 121.625 120.612 1.013 1
1 1285 . 3 1 1 A 115 115 GLU H H 115 8.273 7.637 0.636 1
1 1286 . 3 1 1 A 115 115 GLU HA H 115 4.202 4.867 -0.665 1
1 1291 . 3 1 1 A 115 115 GLU CA C 115 56.402 55.235 1.167 1
1 1292 . 3 1 1 A 115 115 GLU CB C 115 30.249 32.221 -1.972 1
1 5 . 4 1 1 A 2 2 GLU HA H 2 4.399 4.699 -0.300 1
1 10 . 4 1 1 A 2 2 GLU CA C 2 56.358 56.023 0.335 1
1 11 . 4 1 1 A 2 2 GLU CB C 2 30.249 30.563 -0.314 1
1 13 . 4 1 1 A 3 3 ASN H H 3 8.699 8.664 0.035 1
1 14 . 4 1 1 A 3 3 ASN HA H 3 4.753 4.965 -0.212 1
1 19 . 4 1 1 A 3 3 ASN CA C 3 53.211 52.723 0.488 1
1 20 . 4 1 1 A 3 3 ASN CB C 3 38.733 38.559 0.174 1
1 21 . 4 1 1 A 3 3 ASN N N 3 120.234 124.801 -4.567 1
1 23 . 4 1 1 A 4 4 SER H H 4 8.428 8.082 0.346 1
1 24 . 4 1 1 A 4 4 SER HA H 4 4.395 4.184 0.211 1
1 27 . 4 1 1 A 4 4 SER CA C 4 59.048 61.488 -2.440 1
1 28 . 4 1 1 A 4 4 SER CB C 4 63.485 63.008 0.477 1
1 29 . 4 1 1 A 4 4 SER N N 4 116.413 116.522 -0.109 1
1 30 . 4 1 1 A 5 5 GLY H H 5 8.525 8.118 0.407 1
1 31 . 4 1 1 A 5 5 GLY HA2 H 5 3.970 3.870 0.100 1
1 32 . 4 1 1 A 5 5 GLY HA3 H 5 3.969 3.872 0.097 1
1 33 . 4 1 1 A 5 5 GLY CA C 5 45.717 47.044 -1.327 1
1 34 . 4 1 1 A 5 5 GLY N N 5 111.196 108.859 2.337 1
1 35 . 4 1 1 A 6 6 ALA H H 6 7.941 7.972 -0.031 1
1 36 . 4 1 1 A 6 6 ALA HA H 6 4.206 3.859 0.347 1
1 40 . 4 1 1 A 6 6 ALA CA C 6 52.988 52.636 0.352 1
1 41 . 4 1 1 A 6 6 ALA CB C 6 19.429 17.592 1.837 1
1 42 . 4 1 1 A 6 6 ALA N N 6 123.277 120.163 3.114 1
1 43 . 4 1 1 A 7 7 TYR H H 7 8.351 8.066 0.285 1
1 44 . 4 1 1 A 7 7 TYR HA H 7 4.509 4.509 0.000 1
1 51 . 4 1 1 A 7 7 TYR CA C 7 57.528 57.907 -0.379 1
1 52 . 4 1 1 A 7 7 TYR CB C 7 39.356 38.444 0.912 1
1 55 . 4 1 1 A 7 7 TYR N N 7 114.900 118.945 -4.045 1
1 56 . 4 1 1 A 8 8 THR H H 8 7.735 7.363 0.372 1
1 57 . 4 1 1 A 8 8 THR HA H 8 4.922 4.629 0.293 1
1 62 . 4 1 1 A 8 8 THR CA C 8 60.827 61.379 -0.552 1
1 63 . 4 1 1 A 8 8 THR CB C 8 70.109 70.785 -0.676 1
1 65 . 4 1 1 A 8 8 THR N N 8 110.856 115.883 -5.027 1
1 66 . 4 1 1 A 9 9 PHE H H 9 8.816 9.482 -0.666 1
1 67 . 4 1 1 A 9 9 PHE HA H 9 3.825 4.143 -0.318 1
1 75 . 4 1 1 A 9 9 PHE CA C 9 62.935 62.516 0.419 1
1 76 . 4 1 1 A 9 9 PHE CB C 9 39.373 39.390 -0.017 1
1 80 . 4 1 1 A 9 9 PHE N N 9 121.282 125.514 -4.232 1
1 81 . 4 1 1 A 10 10 GLU H H 10 9.741 8.301 1.440 1
1 82 . 4 1 1 A 10 10 GLU HA H 10 3.295 4.053 -0.758 1
1 87 . 4 1 1 A 10 10 GLU CA C 10 59.586 59.463 0.123 1
1 88 . 4 1 1 A 10 10 GLU CB C 10 28.453 29.724 -1.271 1
1 90 . 4 1 1 A 10 10 GLU N N 10 117.454 118.817 -1.363 1
1 91 . 4 1 1 A 11 11 THR H H 11 7.542 8.095 -0.553 1
1 92 . 4 1 1 A 11 11 THR HA H 11 3.667 3.986 -0.319 1
1 97 . 4 1 1 A 11 11 THR CA C 11 66.550 65.727 0.823 1
1 98 . 4 1 1 A 11 11 THR CB C 11 66.557 68.263 -1.706 1
1 100 . 4 1 1 A 11 11 THR N N 11 115.970 113.969 2.001 1
1 101 . 4 1 1 A 12 12 ILE H H 12 7.724 7.570 0.154 1
1 102 . 4 1 1 A 12 12 ILE HA H 12 3.561 3.828 -0.267 1
1 112 . 4 1 1 A 12 12 ILE CA C 12 63.395 64.513 -1.118 1
1 113 . 4 1 1 A 12 12 ILE CB C 12 36.233 36.755 -0.522 1
1 117 . 4 1 1 A 12 12 ILE N N 12 122.235 123.173 -0.938 1
1 118 . 4 1 1 A 13 13 ALA H H 13 9.099 7.828 1.271 1
1 119 . 4 1 1 A 13 13 ALA HA H 13 3.975 3.990 -0.015 1
1 123 . 4 1 1 A 13 13 ALA CA C 13 55.666 54.747 0.919 1
1 124 . 4 1 1 A 13 13 ALA CB C 13 20.126 17.942 2.184 1
1 125 . 4 1 1 A 13 13 ALA N N 13 122.259 121.740 0.519 1
1 126 . 4 1 1 A 14 14 ARG H H 14 8.600 8.191 0.409 1
1 127 . 4 1 1 A 14 14 ARG HA H 14 4.097 3.841 0.256 1
1 134 . 4 1 1 A 14 14 ARG CA C 14 60.889 59.682 1.207 1
1 135 . 4 1 1 A 14 14 ARG CB C 14 29.000 30.044 -1.044 1
1 138 . 4 1 1 A 14 14 ARG N N 14 116.993 117.286 -0.293 1
1 139 . 4 1 1 A 15 15 GLU H H 15 7.924 8.021 -0.097 1
1 140 . 4 1 1 A 15 15 GLU HA H 15 4.085 3.877 0.208 1
1 145 . 4 1 1 A 15 15 GLU CA C 15 59.312 59.363 -0.051 1
1 146 . 4 1 1 A 15 15 GLU CB C 15 29.866 29.485 0.381 1
1 148 . 4 1 1 A 15 15 GLU N N 15 122.758 119.031 3.727 1
1 149 . 4 1 1 A 16 16 TRP H H 16 8.864 7.824 1.040 1
1 150 . 4 1 1 A 16 16 TRP HA H 16 4.740 4.332 0.408 1
1 158 . 4 1 1 A 16 16 TRP CA C 16 60.839 59.514 1.325 1
1 159 . 4 1 1 A 16 16 TRP CB C 16 26.693 28.320 -1.627 1
1 163 . 4 1 1 A 16 16 TRP N N 16 122.323 119.775 2.548 1
1 165 . 4 1 1 A 17 17 HIS H H 17 8.803 6.695 2.108 1
1 166 . 4 1 1 A 17 17 HIS HA H 17 3.076 4.060 -0.984 1
1 170 . 4 1 1 A 17 17 HIS CA C 17 60.683 58.791 1.892 1
1 171 . 4 1 1 A 17 17 HIS CB C 17 30.772 29.142 1.630 1
1 173 . 4 1 1 A 17 17 HIS N N 17 121.293 120.372 0.921 1
1 174 . 4 1 1 A 18 18 GLU H H 18 7.897 8.689 -0.792 1
1 175 . 4 1 1 A 18 18 GLU HA H 18 3.837 3.951 -0.114 1
1 180 . 4 1 1 A 18 18 GLU CA C 18 57.506 58.350 -0.844 1
1 181 . 4 1 1 A 18 18 GLU CB C 18 29.421 28.974 0.447 1
1 183 . 4 1 1 A 18 18 GLU N N 18 118.162 117.867 0.295 1
1 184 . 4 1 1 A 19 19 SER H H 19 7.461 7.527 -0.066 1
1 185 . 4 1 1 A 19 19 SER HA H 19 4.150 4.261 -0.111 1
1 188 . 4 1 1 A 19 19 SER CA C 19 60.000 61.026 -1.026 1
1 189 . 4 1 1 A 19 19 SER CB C 19 63.329 63.233 0.096 1
1 190 . 4 1 1 A 19 19 SER N N 19 112.802 114.181 -1.379 1
1 191 . 4 1 1 A 20 20 ASN H H 20 6.638 7.662 -1.024 1
1 192 . 4 1 1 A 20 20 ASN HA H 20 4.226 4.974 -0.748 1
1 195 . 4 1 1 A 20 20 ASN CA C 20 53.211 51.802 1.409 1
1 196 . 4 1 1 A 20 20 ASN CB C 20 37.021 39.086 -2.065 1
1 197 . 4 1 1 A 20 20 ASN N N 20 121.098 118.939 2.159 1
1 198 . 4 1 1 A 21 21 LYS H H 21 8.010 8.297 -0.287 1
1 199 . 4 1 1 A 21 21 LYS HA H 21 4.077 4.781 -0.704 1
1 208 . 4 1 1 A 21 21 LYS CA C 21 56.558 55.499 1.059 1
1 209 . 4 1 1 A 21 21 LYS CB C 21 32.435 36.572 -4.137 1
1 213 . 4 1 1 A 21 21 LYS N N 21 122.666 124.110 -1.444 1
1 214 . 4 1 1 A 22 22 ARG H H 22 8.007 8.578 -0.571 1
1 215 . 4 1 1 A 22 22 ARG HA H 22 4.257 4.023 0.234 1
1 222 . 4 1 1 A 22 22 ARG CA C 22 56.480 55.288 1.192 1
1 223 . 4 1 1 A 22 22 ARG CB C 22 30.000 30.666 -0.666 1
1 226 . 4 1 1 A 22 22 ARG N N 22 117.459 122.278 -4.819 1
1 227 . 4 1 1 A 23 23 TRP H H 23 7.211 7.736 -0.525 1
1 228 . 4 1 1 A 23 23 TRP HA H 23 4.938 4.301 0.637 1
1 237 . 4 1 1 A 23 23 TRP CA C 23 55.206 57.692 -2.486 1
1 238 . 4 1 1 A 23 23 TRP CB C 23 30.772 26.748 4.024 1
1 244 . 4 1 1 A 23 23 TRP N N 23 118.844 126.264 -7.420 1
1 246 . 4 1 1 A 24 24 SER H H 24 8.764 8.156 0.608 1
1 247 . 4 1 1 A 24 24 SER HA H 24 4.520 4.738 -0.218 1
1 250 . 4 1 1 A 24 24 SER CA C 24 57.647 57.698 -0.051 1
1 251 . 4 1 1 A 24 24 SER CB C 24 64.419 63.618 0.801 1
1 252 . 4 1 1 A 24 24 SER N N 24 117.454 112.138 5.316 1
1 253 . 4 1 1 A 25 25 GLU H H 25 8.976 8.043 0.933 1
1 254 . 4 1 1 A 25 25 GLU HA H 25 4.076 3.907 0.169 1
1 259 . 4 1 1 A 25 25 GLU CA C 25 59.360 59.038 0.322 1
1 260 . 4 1 1 A 25 25 GLU CB C 25 28.960 29.278 -0.318 1
1 262 . 4 1 1 A 25 25 GLU N N 25 122.323 122.274 0.049 1
1 263 . 4 1 1 A 26 26 ASP H H 26 8.608 8.049 0.559 1
1 264 . 4 1 1 A 26 26 ASP HA H 26 4.400 4.327 0.073 1
1 267 . 4 1 1 A 26 26 ASP CA C 26 56.327 57.335 -1.008 1
1 268 . 4 1 1 A 26 26 ASP CB C 26 40.700 41.821 -1.121 1
1 269 . 4 1 1 A 26 26 ASP N N 26 118.165 119.802 -1.637 1
1 270 . 4 1 1 A 27 27 HIS H H 27 7.891 8.216 -0.325 1
1 271 . 4 1 1 A 27 27 HIS HA H 27 4.247 4.404 -0.157 1
1 275 . 4 1 1 A 27 27 HIS CA C 27 58.271 58.667 -0.396 1
1 276 . 4 1 1 A 27 27 HIS CB C 27 30.483 28.737 1.746 1
1 278 . 4 1 1 A 27 27 HIS N N 27 120.183 117.186 2.997 1
1 279 . 4 1 1 A 28 28 ARG H H 28 8.676 7.722 0.954 1
1 280 . 4 1 1 A 28 28 ARG HA H 28 3.720 4.108 -0.388 1
1 287 . 4 1 1 A 28 28 ARG CA C 28 59.444 58.261 1.183 1
1 288 . 4 1 1 A 28 28 ARG CB C 28 30.315 29.598 0.717 1
1 291 . 4 1 1 A 28 28 ARG N N 28 118.156 120.762 -2.606 1
1 292 . 4 1 1 A 29 29 SER H H 29 8.359 7.855 0.504 1
1 293 . 4 1 1 A 29 29 SER HA H 29 4.295 4.231 0.064 1
1 296 . 4 1 1 A 29 29 SER CA C 29 60.916 61.522 -0.606 1
1 297 . 4 1 1 A 29 29 SER CB C 29 62.629 62.957 -0.328 1
1 298 . 4 1 1 A 29 29 SER N N 29 115.374 118.025 -2.651 1
1 299 . 4 1 1 A 30 30 ARG H H 30 7.860 7.282 0.578 1
1 300 . 4 1 1 A 30 30 ARG HA H 30 3.850 4.207 -0.357 1
1 307 . 4 1 1 A 30 30 ARG CA C 30 59.162 59.111 0.051 1
1 308 . 4 1 1 A 30 30 ARG CB C 30 30.171 30.972 -0.801 1
1 311 . 4 1 1 A 30 30 ARG N N 30 124.066 121.686 2.380 1
1 312 . 4 1 1 A 31 31 VAL H H 31 7.928 8.310 -0.382 1
1 313 . 4 1 1 A 31 31 VAL HA H 31 4.728 3.973 0.755 1
1 321 . 4 1 1 A 31 31 VAL CA C 31 66.054 64.595 1.459 1
1 322 . 4 1 1 A 31 31 VAL CB C 31 31.961 31.646 0.315 1
1 325 . 4 1 1 A 31 31 VAL N N 31 116.760 119.955 -3.195 1
1 326 . 4 1 1 A 32 32 LEU H H 32 7.314 7.535 -0.221 1
1 327 . 4 1 1 A 32 32 LEU HA H 32 3.867 4.079 -0.212 1
1 337 . 4 1 1 A 32 32 LEU CA C 32 57.406 58.079 -0.673 1
1 338 . 4 1 1 A 32 32 LEU CB C 32 40.912 42.157 -1.245 1
1 342 . 4 1 1 A 32 32 LEU N N 32 117.541 122.078 -4.537 1
1 343 . 4 1 1 A 33 33 ARG H H 33 7.914 7.969 -0.055 1
1 344 . 4 1 1 A 33 33 ARG HA H 33 4.070 4.025 0.045 1
1 351 . 4 1 1 A 33 33 ARG CA C 33 58.815 59.880 -1.065 1
1 352 . 4 1 1 A 33 33 ARG CB C 33 29.393 29.845 -0.452 1
1 355 . 4 1 1 A 33 33 ARG N N 33 118.510 119.908 -1.398 1
1 356 . 4 1 1 A 34 34 TYR H H 34 8.211 8.226 -0.015 1
1 357 . 4 1 1 A 34 34 TYR HA H 34 4.533 4.311 0.222 1
1 364 . 4 1 1 A 34 34 TYR CA C 34 59.593 61.498 -1.905 1
1 365 . 4 1 1 A 34 34 TYR CB C 34 37.021 39.027 -2.006 1
1 368 . 4 1 1 A 34 34 TYR N N 34 116.416 121.237 -4.821 1
1 369 . 4 1 1 A 35 35 LEU H H 35 7.904 8.266 -0.362 1
1 370 . 4 1 1 A 35 35 LEU HA H 35 3.670 4.036 -0.366 1
1 380 . 4 1 1 A 35 35 LEU CA C 35 57.967 58.219 -0.252 1
1 381 . 4 1 1 A 35 35 LEU CB C 35 40.740 41.882 -1.142 1
1 385 . 4 1 1 A 35 35 LEU N N 35 118.885 121.351 -2.466 1
1 386 . 4 1 1 A 36 36 GLU H H 36 8.662 8.581 0.081 1
1 387 . 4 1 1 A 36 36 GLU HA H 36 3.993 4.381 -0.388 1
1 392 . 4 1 1 A 36 36 GLU CA C 36 59.749 59.330 0.419 1
1 393 . 4 1 1 A 36 36 GLU CB C 36 29.887 29.337 0.550 1
1 395 . 4 1 1 A 36 36 GLU N N 36 120.936 118.327 2.609 1
1 396 . 4 1 1 A 37 37 LEU H H 37 8.195 7.589 0.606 1
1 397 . 4 1 1 A 37 37 LEU HA H 37 3.979 3.982 -0.003 1
1 407 . 4 1 1 A 37 37 LEU CA C 37 56.947 57.604 -0.657 1
1 408 . 4 1 1 A 37 37 LEU CB C 37 42.936 41.877 1.059 1
1 412 . 4 1 1 A 37 37 LEU N N 37 116.413 121.673 -5.260 1
1 413 . 4 1 1 A 38 38 TYR H H 38 7.663 7.455 0.208 1
1 414 . 4 1 1 A 38 38 TYR HA H 38 4.951 4.328 0.623 1
1 421 . 4 1 1 A 38 38 TYR CA C 38 58.581 60.145 -1.564 1
1 422 . 4 1 1 A 38 38 TYR CB C 38 41.068 39.468 1.600 1
1 425 . 4 1 1 A 38 38 TYR N N 38 110.509 116.979 -6.470 1
1 426 . 4 1 1 A 39 39 ILE H H 39 7.833 7.787 0.046 1
1 427 . 4 1 1 A 39 39 ILE HA H 39 4.642 3.845 0.797 1
1 437 . 4 1 1 A 39 39 ILE CA C 39 60.000 62.505 -2.505 1
1 438 . 4 1 1 A 39 39 ILE CB C 39 37.111 38.810 -1.699 1
1 442 . 4 1 1 A 39 39 ILE N N 39 116.068 119.909 -3.841 1
1 443 . 4 1 1 A 40 40 PHE H H 40 9.117 7.666 1.451 1
1 444 . 4 1 1 A 40 40 PHE HA H 40 4.634 5.083 -0.449 1
1 452 . 4 1 1 A 40 40 PHE CA C 40 57.492 54.757 2.735 1
1 453 . 4 1 1 A 40 40 PHE CB C 40 34.374 38.293 -3.919 1
1 457 . 4 1 1 A 40 40 PHE N N 40 121.241 119.401 1.840 1
1 458 . 4 1 1 A 41 41 PRO HA H 41 4.388 4.308 0.080 1
1 465 . 4 1 1 A 41 41 PRO CA C 41 66.132 65.718 0.414 1
1 466 . 4 1 1 A 41 41 PRO CB C 41 31.261 31.424 -0.163 1
1 469 . 4 1 1 A 42 42 HIS H H 42 7.153 7.750 -0.597 1
1 470 . 4 1 1 A 42 42 HIS HA H 42 4.678 4.705 -0.027 1
1 474 . 4 1 1 A 42 42 HIS CA C 42 57.336 56.584 0.752 1
1 475 . 4 1 1 A 42 42 HIS CB C 42 32.895 30.235 2.660 1
1 477 . 4 1 1 A 42 42 HIS N N 42 111.205 116.029 -4.824 1
1 478 . 4 1 1 A 43 43 ILE H H 43 7.327 7.672 -0.345 1
1 479 . 4 1 1 A 43 43 ILE HA H 43 4.938 4.529 0.409 1
1 489 . 4 1 1 A 43 43 ILE CA C 43 60.527 60.375 0.152 1
1 490 . 4 1 1 A 43 43 ILE CB C 43 40.445 38.189 2.256 1
1 494 . 4 1 1 A 43 43 ILE N N 43 105.996 113.149 -7.153 1
1 495 . 4 1 1 A 44 44 GLY H H 44 8.958 8.440 0.518 1
1 496 . 4 1 1 A 44 44 GLY HA2 H 44 4.340 3.913 0.427 1
1 497 . 4 1 1 A 44 44 GLY HA3 H 44 3.855 3.957 -0.102 1
1 498 . 4 1 1 A 44 44 GLY CA C 44 48.385 46.143 2.242 1
1 499 . 4 1 1 A 44 44 GLY N N 44 110.704 112.876 -2.172 1
1 500 . 4 1 1 A 45 45 SER H H 45 8.294 7.978 0.316 1
1 501 . 4 1 1 A 45 45 SER HA H 45 4.517 4.469 0.048 1
1 504 . 4 1 1 A 45 45 SER CA C 45 58.270 58.525 -0.255 1
1 505 . 4 1 1 A 45 45 SER CB C 45 63.563 63.841 -0.278 1
1 506 . 4 1 1 A 45 45 SER N N 45 110.505 112.376 -1.871 1
1 507 . 4 1 1 A 46 46 SER H H 46 7.689 7.225 0.464 1
1 508 . 4 1 1 A 46 46 SER HA H 46 4.322 4.781 -0.459 1
1 511 . 4 1 1 A 46 46 SER CA C 46 59.282 58.266 1.016 1
1 512 . 4 1 1 A 46 46 SER CB C 46 63.719 64.842 -1.123 1
1 513 . 4 1 1 A 46 46 SER N N 46 119.190 117.948 1.242 1
1 514 . 4 1 1 A 47 47 ASP H H 47 8.646 8.660 -0.014 1
1 515 . 4 1 1 A 47 47 ASP HA H 47 4.446 4.872 -0.426 1
1 518 . 4 1 1 A 47 47 ASP CA C 47 54.145 54.140 0.005 1
1 519 . 4 1 1 A 47 47 ASP CB C 47 41.652 42.400 -0.748 1
1 520 . 4 1 1 A 47 47 ASP N N 47 124.868 124.269 0.599 1
1 521 . 4 1 1 A 48 48 ILE H H 48 9.406 8.785 0.621 1
1 522 . 4 1 1 A 48 48 ILE HA H 48 4.091 4.390 -0.299 1
1 532 . 4 1 1 A 48 48 ILE CA C 48 63.844 62.561 1.283 1
1 533 . 4 1 1 A 48 48 ILE CB C 48 39.845 38.721 1.124 1
1 537 . 4 1 1 A 48 48 ILE N N 48 129.573 125.278 4.295 1
1 538 . 4 1 1 A 49 49 ARG H H 49 9.004 8.617 0.387 1
1 539 . 4 1 1 A 49 49 ARG HA H 49 4.166 4.388 -0.222 1
1 546 . 4 1 1 A 49 49 ARG CA C 49 57.534 57.623 -0.089 1
1 547 . 4 1 1 A 49 49 ARG CB C 49 29.870 30.178 -0.308 1
1 548 . 4 1 1 A 49 49 ARG N N 49 119.541 119.372 0.169 1
1 549 . 4 1 1 A 50 50 GLN H H 50 7.868 7.754 0.114 1
1 550 . 4 1 1 A 50 50 GLN HA H 50 4.498 4.617 -0.119 1
1 557 . 4 1 1 A 50 50 GLN CA C 50 54.633 55.010 -0.377 1
1 558 . 4 1 1 A 50 50 GLN CB C 50 29.548 28.844 0.704 1
1 560 . 4 1 1 A 50 50 GLN N N 50 114.374 119.869 -5.495 1
1 562 . 4 1 1 A 51 51 LEU H H 51 6.799 8.896 -2.097 1
1 563 . 4 1 1 A 51 51 LEU HA H 51 4.516 4.603 -0.087 1
1 573 . 4 1 1 A 51 51 LEU CA C 51 54.519 55.238 -0.719 1
1 574 . 4 1 1 A 51 51 LEU CB C 51 43.014 43.306 -0.292 1
1 578 . 4 1 1 A 51 51 LEU N N 51 119.548 128.274 -8.726 1
1 579 . 4 1 1 A 52 52 LYS H H 52 10.373 8.555 1.818 1
1 580 . 4 1 1 A 52 52 LYS HA H 52 4.725 4.742 -0.017 1
1 589 . 4 1 1 A 52 52 LYS CA C 52 53.806 54.627 -0.821 1
1 590 . 4 1 1 A 52 52 LYS CB C 52 34.394 34.336 0.058 1
1 594 . 4 1 1 A 52 52 LYS N N 52 125.943 124.970 0.973 1
1 595 . 4 1 1 A 53 53 THR H H 53 8.724 8.548 0.176 1
1 596 . 4 1 1 A 53 53 THR HA H 53 4.727 4.479 0.248 1
1 601 . 4 1 1 A 53 53 THR CA C 53 57.570 61.414 -3.844 1
1 602 . 4 1 1 A 53 53 THR CB C 53 68.467 69.530 -1.063 1
1 604 . 4 1 1 A 53 53 THR N N 53 117.533 116.122 1.411 1
1 605 . 4 1 1 A 54 54 SER H H 54 8.416 8.825 -0.409 1
1 606 . 4 1 1 A 54 54 SER HA H 54 4.743 4.277 0.466 1
1 609 . 4 1 1 A 54 54 SER CA C 54 61.306 59.893 1.413 1
1 610 . 4 1 1 A 54 54 SER CB C 54 61.132 62.912 -1.780 1
1 611 . 4 1 1 A 54 54 SER N N 54 112.941 117.541 -4.600 1
1 612 . 4 1 1 A 55 55 HIS H H 55 7.077 7.600 -0.523 1
1 613 . 4 1 1 A 55 55 HIS HA H 55 4.425 4.295 0.130 1
1 617 . 4 1 1 A 55 55 HIS CA C 55 58.659 58.972 -0.313 1
1 618 . 4 1 1 A 55 55 HIS CB C 55 33.051 29.940 3.111 1
1 620 . 4 1 1 A 55 55 HIS N N 55 120.680 119.063 1.617 1
1 621 . 4 1 1 A 56 56 LEU H H 56 7.410 8.105 -0.695 1
1 622 . 4 1 1 A 56 56 LEU HA H 56 3.916 4.047 -0.131 1
1 632 . 4 1 1 A 56 56 LEU CA C 56 56.558 57.391 -0.833 1
1 633 . 4 1 1 A 56 56 LEU CB C 56 42.547 41.385 1.162 1
1 637 . 4 1 1 A 56 56 LEU N N 56 115.029 121.169 -6.140 1
1 638 . 4 1 1 A 57 57 LEU H H 57 7.906 7.706 0.200 1
1 639 . 4 1 1 A 57 57 LEU HA H 57 4.073 4.089 -0.016 1
1 649 . 4 1 1 A 57 57 LEU CA C 57 56.047 57.145 -1.098 1
1 650 . 4 1 1 A 57 57 LEU CB C 57 42.575 41.524 1.051 1
1 654 . 4 1 1 A 57 57 LEU N N 57 113.214 119.497 -6.283 1
1 655 . 4 1 1 A 58 58 ALA H H 58 7.367 7.922 -0.555 1
1 656 . 4 1 1 A 58 58 ALA HA H 58 4.176 3.945 0.231 1
1 660 . 4 1 1 A 58 58 ALA CA C 58 57.049 57.363 -0.314 1
1 661 . 4 1 1 A 58 58 ALA CB C 58 15.362 16.541 -1.179 1
1 662 . 4 1 1 A 58 58 ALA N N 58 120.662 121.569 -0.907 1
1 663 . 4 1 1 A 59 59 PRO HA H 59 4.133 4.290 -0.157 1
1 670 . 4 1 1 A 59 59 PRO CA C 59 65.120 65.916 -0.796 1
1 671 . 4 1 1 A 59 59 PRO CB C 59 31.183 30.661 0.522 1
1 674 . 4 1 1 A 60 60 ILE H H 60 6.643 7.483 -0.840 1
1 675 . 4 1 1 A 60 60 ILE HA H 60 3.383 3.828 -0.445 1
1 685 . 4 1 1 A 60 60 ILE CA C 60 64.886 63.732 1.154 1
1 686 . 4 1 1 A 60 60 ILE CB C 60 37.799 37.022 0.777 1
1 690 . 4 1 1 A 60 60 ILE N N 60 117.809 116.162 1.647 1
1 691 . 4 1 1 A 61 61 LYS H H 61 8.635 7.778 0.857 1
1 692 . 4 1 1 A 61 61 LYS HA H 61 3.992 4.763 -0.771 1
1 701 . 4 1 1 A 61 61 LYS CA C 61 59.048 59.611 -0.563 1
1 702 . 4 1 1 A 61 61 LYS CB C 61 31.678 31.937 -0.259 1
1 706 . 4 1 1 A 61 61 LYS N N 61 120.585 120.941 -0.356 1
1 707 . 4 1 1 A 62 62 GLU H H 62 7.664 7.353 0.311 1
1 708 . 4 1 1 A 62 62 GLU HA H 62 3.992 4.143 -0.151 1
1 713 . 4 1 1 A 62 62 GLU CA C 62 59.593 58.837 0.756 1
1 714 . 4 1 1 A 62 62 GLU CB C 62 28.975 29.162 -0.187 1
1 716 . 4 1 1 A 62 62 GLU N N 62 118.505 119.675 -1.170 1
1 717 . 4 1 1 A 63 63 VAL H H 63 7.227 7.389 -0.162 1
1 718 . 4 1 1 A 63 63 VAL HA H 63 3.545 3.677 -0.132 1
1 726 . 4 1 1 A 63 63 VAL CA C 63 65.663 66.087 -0.424 1
1 727 . 4 1 1 A 63 63 VAL CB C 63 31.650 31.669 -0.019 1
1 730 . 4 1 1 A 63 63 VAL N N 63 119.540 120.349 -0.809 1
1 731 . 4 1 1 A 64 64 ASP H H 64 8.281 8.433 -0.152 1
1 732 . 4 1 1 A 64 64 ASP HA H 64 3.984 4.627 -0.643 1
1 735 . 4 1 1 A 64 64 ASP CA C 64 58.860 56.727 2.133 1
1 736 . 4 1 1 A 64 64 ASP CB C 64 42.561 39.554 3.007 1
1 737 . 4 1 1 A 64 64 ASP N N 64 122.316 119.469 2.847 1
1 738 . 4 1 1 A 65 65 THR H H 65 8.818 7.734 1.084 1
1 739 . 4 1 1 A 65 65 THR HA H 65 4.310 4.107 0.203 1
1 744 . 4 1 1 A 65 65 THR CA C 65 68.825 65.664 3.161 1
1 745 . 4 1 1 A 65 65 THR CB C 65 65.195 68.563 -3.368 1
1 747 . 4 1 1 A 65 65 THR N N 65 112.808 116.961 -4.153 1
1 748 . 4 1 1 A 66 66 SER H H 66 7.596 7.631 -0.035 1
1 749 . 4 1 1 A 66 66 SER HA H 66 4.469 4.541 -0.072 1
1 752 . 4 1 1 A 66 66 SER CA C 66 59.827 58.602 1.225 1
1 753 . 4 1 1 A 66 66 SER CB C 66 63.641 63.456 0.185 1
1 754 . 4 1 1 A 66 66 SER N N 66 116.412 115.265 1.147 1
1 755 . 4 1 1 A 67 67 GLY H H 67 7.781 8.008 -0.227 1
1 756 . 4 1 1 A 67 67 GLY HA2 H 67 4.467 4.065 0.402 1
1 757 . 4 1 1 A 67 67 GLY HA3 H 67 3.355 4.074 -0.719 1
1 758 . 4 1 1 A 67 67 GLY CA C 67 44.337 45.471 -1.134 1
1 759 . 4 1 1 A 67 67 GLY N N 67 108.565 107.326 1.239 1
1 760 . 4 1 1 A 68 68 LYS H H 68 6.932 7.900 -0.968 1
1 761 . 4 1 1 A 68 68 LYS HA H 68 4.706 4.597 0.109 1
1 770 . 4 1 1 A 68 68 LYS CA C 68 54.145 54.817 -0.672 1
1 771 . 4 1 1 A 68 68 LYS CB C 68 30.325 30.386 -0.061 1
1 775 . 4 1 1 A 68 68 LYS N N 68 121.979 121.115 0.864 1
1 776 . 4 1 1 A 69 69 HIS H H 69 7.630 8.438 -0.808 1
1 777 . 4 1 1 A 69 69 HIS HA H 69 4.544 4.119 0.425 1
1 780 . 4 1 1 A 69 69 HIS CA C 69 58.270 59.642 -1.372 1
1 781 . 4 1 1 A 69 69 HIS CB C 69 28.303 29.958 -1.655 1
1 782 . 4 1 1 A 69 69 HIS N N 69 119.617 123.791 -4.174 1
1 783 . 4 1 1 A 70 70 ASP H H 70 8.779 8.276 0.503 1
1 784 . 4 1 1 A 70 70 ASP HA H 70 4.330 4.360 -0.030 1
1 787 . 4 1 1 A 70 70 ASP CA C 70 56.869 57.244 -0.375 1
1 788 . 4 1 1 A 70 70 ASP CB C 70 39.433 41.019 -1.586 1
1 789 . 4 1 1 A 70 70 ASP N N 70 118.586 120.446 -1.860 1
1 790 . 4 1 1 A 71 71 VAL H H 71 7.575 8.197 -0.622 1
1 791 . 4 1 1 A 71 71 VAL HA H 71 3.232 3.786 -0.554 1
1 799 . 4 1 1 A 71 71 VAL CA C 71 66.131 65.052 1.079 1
1 800 . 4 1 1 A 71 71 VAL CB C 71 31.105 31.200 -0.095 1
1 803 . 4 1 1 A 71 71 VAL N N 71 121.186 118.997 2.189 1
1 804 . 4 1 1 A 72 72 ALA H H 72 8.022 8.230 -0.208 1
1 805 . 4 1 1 A 72 72 ALA HA H 72 3.682 3.942 -0.260 1
1 809 . 4 1 1 A 72 72 ALA CA C 72 55.702 55.742 -0.040 1
1 810 . 4 1 1 A 72 72 ALA CB C 72 18.028 18.196 -0.168 1
1 811 . 4 1 1 A 72 72 ALA N N 72 120.675 123.499 -2.824 1
1 812 . 4 1 1 A 73 73 GLN H H 73 7.793 7.529 0.264 1
1 813 . 4 1 1 A 73 73 GLN HA H 73 3.971 3.962 0.009 1
1 820 . 4 1 1 A 73 73 GLN CA C 73 58.872 58.909 -0.037 1
1 821 . 4 1 1 A 73 73 GLN CB C 73 28.073 28.555 -0.482 1
1 823 . 4 1 1 A 73 73 GLN N N 73 115.949 117.614 -1.665 1
1 825 . 4 1 1 A 74 74 ARG H H 74 7.795 7.986 -0.191 1
1 826 . 4 1 1 A 74 74 ARG HA H 74 4.108 4.136 -0.028 1
1 833 . 4 1 1 A 74 74 ARG CA C 74 59.282 58.844 0.438 1
1 834 . 4 1 1 A 74 74 ARG CB C 74 29.857 30.114 -0.257 1
1 837 . 4 1 1 A 74 74 ARG N N 74 119.896 120.129 -0.233 1
1 838 . 4 1 1 A 75 75 LEU H H 75 8.850 8.531 0.319 1
1 839 . 4 1 1 A 75 75 LEU HA H 75 3.935 4.056 -0.121 1
1 849 . 4 1 1 A 75 75 LEU CA C 75 57.803 57.927 -0.124 1
1 850 . 4 1 1 A 75 75 LEU CB C 75 42.858 41.449 1.409 1
1 854 . 4 1 1 A 75 75 LEU N N 75 118.044 119.762 -1.718 1
1 855 . 4 1 1 A 76 76 GLN H H 76 8.412 8.658 -0.246 1
1 856 . 4 1 1 A 76 76 GLN HA H 76 3.790 3.981 -0.191 1
1 861 . 4 1 1 A 76 76 GLN CA C 76 60.294 58.745 1.549 1
1 862 . 4 1 1 A 76 76 GLN CB C 76 27.995 28.260 -0.265 1
1 864 . 4 1 1 A 76 76 GLN N N 76 119.109 117.416 1.693 1
1 865 . 4 1 1 A 77 77 GLN H H 77 7.788 7.981 -0.193 1
1 866 . 4 1 1 A 77 77 GLN HA H 77 4.090 4.087 0.003 1
1 873 . 4 1 1 A 77 77 GLN CA C 77 59.318 58.350 0.968 1
1 874 . 4 1 1 A 77 77 GLN CB C 77 28.054 28.774 -0.720 1
1 876 . 4 1 1 A 77 77 GLN N N 77 119.616 119.303 0.313 1
1 878 . 4 1 1 A 78 78 ARG H H 78 8.552 8.155 0.397 1
1 879 . 4 1 1 A 78 78 ARG HA H 78 4.171 4.114 0.057 1
1 886 . 4 1 1 A 78 78 ARG CA C 78 57.946 58.837 -0.891 1
1 887 . 4 1 1 A 78 78 ARG CB C 78 28.958 30.245 -1.287 1
1 890 . 4 1 1 A 78 78 ARG N N 78 118.044 117.858 0.186 1
1 891 . 4 1 1 A 79 79 VAL H H 79 8.958 7.757 1.201 1
1 892 . 4 1 1 A 79 79 VAL HA H 79 3.603 3.955 -0.352 1
1 900 . 4 1 1 A 79 79 VAL CA C 79 67.284 65.651 1.633 1
1 901 . 4 1 1 A 79 79 VAL CB C 79 31.228 31.542 -0.314 1
1 904 . 4 1 1 A 79 79 VAL N N 79 116.998 115.635 1.363 1
1 905 . 4 1 1 A 80 80 THR H H 80 7.938 7.916 0.022 1
1 906 . 4 1 1 A 80 80 THR HA H 80 4.301 3.855 0.446 1
1 911 . 4 1 1 A 80 80 THR CA C 80 67.976 66.427 1.549 1
1 912 . 4 1 1 A 80 80 THR CB C 80 67.466 68.624 -1.158 1
1 914 . 4 1 1 A 80 80 THR N N 80 115.701 117.204 -1.503 1
1 915 . 4 1 1 A 81 81 ALA H H 81 7.656 7.288 0.368 1
1 916 . 4 1 1 A 81 81 ALA HA H 81 4.070 3.931 0.139 1
1 920 . 4 1 1 A 81 81 ALA CA C 81 55.232 54.924 0.308 1
1 921 . 4 1 1 A 81 81 ALA CB C 81 18.087 17.710 0.377 1
1 922 . 4 1 1 A 81 81 ALA N N 81 124.407 122.923 1.484 1
1 923 . 4 1 1 A 82 82 ILE H H 82 7.901 8.003 -0.102 1
1 924 . 4 1 1 A 82 82 ILE HA H 82 2.733 3.533 -0.800 1
1 934 . 4 1 1 A 82 82 ILE CA C 82 65.450 64.935 0.515 1
1 935 . 4 1 1 A 82 82 ILE CB C 82 37.569 37.916 -0.347 1
1 939 . 4 1 1 A 82 82 ILE N N 82 121.196 119.238 1.958 1
1 940 . 4 1 1 A 83 83 MET H H 83 8.258 8.274 -0.016 1
1 941 . 4 1 1 A 83 83 MET HA H 83 4.556 4.062 0.494 1
1 949 . 4 1 1 A 83 83 MET CA C 83 56.403 59.125 -2.722 1
1 950 . 4 1 1 A 83 83 MET CB C 83 29.782 32.596 -2.814 1
1 953 . 4 1 1 A 83 83 MET N N 83 120.154 118.264 1.890 1
1 954 . 4 1 1 A 84 84 ARG H H 84 7.915 8.125 -0.210 1
1 955 . 4 1 1 A 84 84 ARG HA H 84 4.039 3.860 0.179 1
1 962 . 4 1 1 A 84 84 ARG CA C 84 59.749 59.085 0.664 1
1 963 . 4 1 1 A 84 84 ARG CB C 84 30.000 29.828 0.172 1
1 966 . 4 1 1 A 84 84 ARG N N 84 116.534 120.208 -3.674 1
1 967 . 4 1 1 A 85 85 TYR H H 85 8.221 8.219 0.002 1
1 968 . 4 1 1 A 85 85 TYR HA H 85 4.255 4.054 0.201 1
1 975 . 4 1 1 A 85 85 TYR CA C 85 61.382 61.768 -0.386 1
1 976 . 4 1 1 A 85 85 TYR CB C 85 38.499 38.464 0.035 1
1 979 . 4 1 1 A 85 85 TYR N N 85 122.313 121.224 1.089 1
1 980 . 4 1 1 A 86 86 ALA H H 86 8.804 8.783 0.021 1
1 981 . 4 1 1 A 86 86 ALA HA H 86 4.223 4.102 0.121 1
1 985 . 4 1 1 A 86 86 ALA CA C 86 55.043 55.133 -0.090 1
1 986 . 4 1 1 A 86 86 ALA CB C 86 18.087 18.256 -0.169 1
1 987 . 4 1 1 A 86 86 ALA N N 86 123.291 121.862 1.429 1
1 988 . 4 1 1 A 87 87 VAL H H 87 8.113 8.199 -0.086 1
1 989 . 4 1 1 A 87 87 VAL HA H 87 4.170 3.780 0.390 1
1 997 . 4 1 1 A 87 87 VAL CA C 87 65.146 65.021 0.125 1
1 998 . 4 1 1 A 87 87 VAL CB C 87 31.897 31.406 0.491 1
1 1001 . 4 1 1 A 87 87 VAL N N 87 120.144 117.421 2.723 1
1 1002 . 4 1 1 A 88 88 GLN H H 88 8.458 7.717 0.741 1
1 1003 . 4 1 1 A 88 88 GLN HA H 88 3.983 3.930 0.053 1
1 1010 . 4 1 1 A 88 88 GLN CA C 88 58.270 58.575 -0.305 1
1 1011 . 4 1 1 A 88 88 GLN CB C 88 28.075 28.296 -0.221 1
1 1013 . 4 1 1 A 88 88 GLN N N 88 120.751 121.197 -0.446 1
1 1015 . 4 1 1 A 89 89 ASN H H 89 7.359 7.264 0.095 1
1 1016 . 4 1 1 A 89 89 ASN HA H 89 4.486 4.515 -0.029 1
1 1021 . 4 1 1 A 89 89 ASN CA C 89 53.444 52.372 1.072 1
1 1022 . 4 1 1 A 89 89 ASN CB C 89 38.932 37.765 1.167 1
1 1023 . 4 1 1 A 89 89 ASN N N 89 113.850 114.727 -0.877 1
1 1025 . 4 1 1 A 90 90 ASP H H 90 7.849 7.929 -0.080 1
1 1026 . 4 1 1 A 90 90 ASP HA H 90 4.387 4.321 0.066 1
1 1029 . 4 1 1 A 90 90 ASP CA C 90 55.935 55.282 0.653 1
1 1030 . 4 1 1 A 90 90 ASP CB C 90 38.811 38.505 0.306 1
1 1031 . 4 1 1 A 90 90 ASP N N 90 113.293 115.503 -2.210 1
1 1032 . 4 1 1 A 91 91 TYR H H 91 8.489 8.099 0.390 1
1 1033 . 4 1 1 A 91 91 TYR HA H 91 4.589 4.404 0.185 1
1 1040 . 4 1 1 A 91 91 TYR CA C 91 60.000 59.946 0.054 1
1 1041 . 4 1 1 A 91 91 TYR CB C 91 38.811 39.668 -0.857 1
1 1044 . 4 1 1 A 91 91 TYR N N 91 116.072 116.938 -0.866 1
1 1045 . 4 1 1 A 92 92 ILE H H 92 7.131 7.757 -0.626 1
1 1046 . 4 1 1 A 92 92 ILE HA H 92 4.684 4.646 0.038 1
1 1056 . 4 1 1 A 92 92 ILE CA C 92 59.126 59.821 -0.695 1
1 1057 . 4 1 1 A 92 92 ILE CB C 92 41.846 40.014 1.832 1
1 1061 . 4 1 1 A 92 92 ILE N N 92 107.409 117.370 -9.961 1
1 1062 . 4 1 1 A 93 93 ASP H H 93 8.731 9.011 -0.280 1
1 1063 . 4 1 1 A 93 93 ASP HA H 93 4.707 4.602 0.105 1
1 1066 . 4 1 1 A 93 93 ASP CA C 93 54.689 56.291 -1.602 1
1 1067 . 4 1 1 A 93 93 ASP CB C 93 41.924 41.090 0.834 1
1 1068 . 4 1 1 A 93 93 ASP N N 93 118.847 122.524 -3.677 1
1 1069 . 4 1 1 A 94 94 SER H H 94 7.638 8.154 -0.516 1
1 1070 . 4 1 1 A 94 94 SER HA H 94 4.491 4.927 -0.436 1
1 1073 . 4 1 1 A 94 94 SER CA C 94 57.102 56.529 0.573 1
1 1074 . 4 1 1 A 94 94 SER CB C 94 64.186 66.790 -2.604 1
1 1075 . 4 1 1 A 94 94 SER N N 94 112.240 109.614 2.626 1
1 1076 . 4 1 1 A 95 95 ASN H H 95 8.801 8.773 0.028 1
1 1077 . 4 1 1 A 95 95 ASN HA H 95 4.942 5.447 -0.505 1
1 1082 . 4 1 1 A 95 95 ASN CA C 95 49.941 50.420 -0.479 1
1 1083 . 4 1 1 A 95 95 ASN CB C 95 39.356 39.158 0.198 1
1 1084 . 4 1 1 A 95 95 ASN N N 95 119.551 118.468 1.083 1
1 1086 . 4 1 1 A 96 96 PRO HA H 96 4.632 4.715 -0.083 1
1 1093 . 4 1 1 A 96 96 PRO CA C 96 63.564 62.325 1.239 1
1 1094 . 4 1 1 A 96 96 PRO CB C 96 32.058 32.659 -0.601 1
1 1097 . 4 1 1 A 97 97 ALA H H 97 8.335 8.629 -0.294 1
1 1098 . 4 1 1 A 97 97 ALA HA H 97 4.436 4.013 0.423 1
1 1102 . 4 1 1 A 97 97 ALA CA C 97 52.055 54.269 -2.214 1
1 1103 . 4 1 1 A 97 97 ALA CB C 97 18.998 17.916 1.082 1
1 1104 . 4 1 1 A 97 97 ALA N N 97 121.226 119.107 2.119 1
1 1105 . 4 1 1 A 98 98 SER H H 98 7.600 7.967 -0.367 1
1 1106 . 4 1 1 A 98 98 SER HA H 98 4.168 4.251 -0.083 1
1 1109 . 4 1 1 A 98 98 SER CA C 98 60.372 61.003 -0.631 1
1 1110 . 4 1 1 A 98 98 SER CB C 98 63.018 63.121 -0.103 1
1 1111 . 4 1 1 A 98 98 SER N N 98 114.935 113.474 1.461 1
1 1112 . 4 1 1 A 99 99 ASP H H 99 8.098 7.910 0.188 1
1 1113 . 4 1 1 A 99 99 ASP HA H 99 4.760 4.883 -0.123 1
1 1116 . 4 1 1 A 99 99 ASP CA C 99 54.300 52.874 1.426 1
1 1117 . 4 1 1 A 99 99 ASP CB C 99 40.835 41.118 -0.283 1
1 1118 . 4 1 1 A 99 99 ASP N N 99 119.889 120.986 -1.097 1
1 1119 . 4 1 1 A 100 100 MET H H 100 7.885 7.746 0.139 1
1 1120 . 4 1 1 A 100 100 MET HA H 100 4.205 4.774 -0.569 1
1 1128 . 4 1 1 A 100 100 MET CA C 100 57.025 57.331 -0.306 1
1 1129 . 4 1 1 A 100 100 MET CB C 100 33.038 33.359 -0.321 1
1 1132 . 4 1 1 A 100 100 MET N N 100 119.185 118.951 0.234 1
1 1133 . 4 1 1 A 101 101 ALA H H 101 8.041 7.696 0.345 1
1 1134 . 4 1 1 A 101 101 ALA HA H 101 4.137 4.932 -0.795 1
1 1138 . 4 1 1 A 101 101 ALA CA C 101 53.655 50.573 3.082 1
1 1139 . 4 1 1 A 101 101 ALA CB C 101 18.537 21.941 -3.404 1
1 1140 . 4 1 1 A 101 101 ALA N N 101 122.264 119.336 2.928 1
1 1141 . 4 1 1 A 102 102 GLY H H 102 8.293 8.397 -0.104 1
1 1142 . 4 1 1 A 102 102 GLY HA2 H 102 3.910 4.263 -0.353 1
1 1143 . 4 1 1 A 102 102 GLY HA3 H 102 3.913 4.266 -0.353 1
1 1144 . 4 1 1 A 102 102 GLY CA C 102 45.664 46.079 -0.415 1
1 1145 . 4 1 1 A 102 102 GLY N N 102 107.557 108.310 -0.753 1
1 1146 . 4 1 1 A 103 103 ALA H H 103 7.955 8.367 -0.412 1
1 1147 . 4 1 1 A 103 103 ALA HA H 103 4.235 4.366 -0.131 1
1 1151 . 4 1 1 A 103 103 ALA CA C 103 53.423 51.572 1.851 1
1 1152 . 4 1 1 A 103 103 ALA CB C 103 19.219 17.759 1.460 1
1 1153 . 4 1 1 A 103 103 ALA N N 103 123.285 126.025 -2.740 1
1 1154 . 4 1 1 A 104 104 LEU H H 104 8.145 8.339 -0.194 1
1 1155 . 4 1 1 A 104 104 LEU HA H 104 4.301 4.797 -0.496 1
1 1165 . 4 1 1 A 104 104 LEU CA C 104 55.312 54.772 0.540 1
1 1166 . 4 1 1 A 104 104 LEU CB C 104 41.644 43.732 -2.088 1
1 1170 . 4 1 1 A 104 104 LEU N N 104 118.570 120.337 -1.767 1
1 1171 . 4 1 1 A 105 105 SER H H 105 8.040 7.978 0.062 1
1 1172 . 4 1 1 A 105 105 SER HA H 105 4.390 4.715 -0.325 1
1 1175 . 4 1 1 A 105 105 SER CA C 105 58.893 58.660 0.233 1
1 1176 . 4 1 1 A 105 105 SER CB C 105 63.424 64.475 -1.051 1
1 1177 . 4 1 1 A 105 105 SER N N 105 115.022 113.983 1.039 1
1 1178 . 4 1 1 A 106 106 THR H H 106 8.032 7.525 0.507 1
1 1179 . 4 1 1 A 106 106 THR HA H 106 4.293 4.689 -0.396 1
1 1184 . 4 1 1 A 106 106 THR CA C 106 62.037 60.806 1.231 1
1 1185 . 4 1 1 A 106 106 THR CB C 106 69.401 70.170 -0.769 1
1 1187 . 4 1 1 A 106 106 THR N N 106 115.371 112.578 2.793 1
1 1188 . 4 1 1 A 107 107 THR H H 107 7.940 8.718 -0.778 1
1 1189 . 4 1 1 A 107 107 THR HA H 107 4.296 5.136 -0.840 1
1 1194 . 4 1 1 A 107 107 THR CA C 107 61.539 60.802 0.737 1
1 1195 . 4 1 1 A 107 107 THR CB C 107 61.610 71.908 -10.298 1
1 1197 . 4 1 1 A 107 107 THR N N 107 122.759 120.707 2.052 1
1 1198 . 4 1 1 A 108 108 LYS H H 108 8.240 8.669 -0.429 1
1 1199 . 4 1 1 A 108 108 LYS HA H 108 4.241 4.931 -0.690 1
1 1208 . 4 1 1 A 108 108 LYS CA C 108 56.324 55.245 1.079 1
1 1209 . 4 1 1 A 108 108 LYS CB C 108 32.817 35.091 -2.274 1
1 1213 . 4 1 1 A 108 108 LYS N N 108 124.773 121.385 3.388 1
1 1214 . 4 1 1 A 109 109 ALA H H 109 8.131 8.638 -0.507 1
1 1215 . 4 1 1 A 109 109 ALA HA H 109 4.224 4.517 -0.293 1
1 1219 . 4 1 1 A 109 109 ALA CA C 109 52.432 53.403 -0.971 1
1 1220 . 4 1 1 A 109 109 ALA CB C 109 19.017 20.246 -1.229 1
1 1221 . 4 1 1 A 109 109 ALA N N 109 124.331 121.409 2.922 1
1 1222 . 4 1 1 A 110 110 ARG H H 110 8.114 7.827 0.287 1
1 1223 . 4 1 1 A 110 110 ARG HA H 110 4.191 4.718 -0.527 1
1 1230 . 4 1 1 A 110 110 ARG CA C 110 56.013 56.016 -0.003 1
1 1231 . 4 1 1 A 110 110 ARG CB C 110 30.871 33.199 -2.328 1
1 1234 . 4 1 1 A 110 110 ARG N N 110 119.544 115.274 4.270 1
1 1235 . 4 1 1 A 111 111 HIS H H 111 8.283 8.827 -0.544 1
1 1236 . 4 1 1 A 111 111 HIS HA H 111 4.604 4.173 0.431 1
1 1240 . 4 1 1 A 111 111 HIS CA C 111 55.448 56.830 -1.382 1
1 1241 . 4 1 1 A 111 111 HIS CB C 111 29.866 28.165 1.701 1
1 1243 . 4 1 1 A 111 111 HIS N N 111 119.886 123.264 -3.378 1
1 1244 . 4 1 1 A 112 112 TYR H H 112 8.179 8.055 0.124 1
1 1245 . 4 1 1 A 112 112 TYR HA H 112 4.766 4.914 -0.148 1
1 1252 . 4 1 1 A 112 112 TYR CA C 112 55.701 55.117 0.584 1
1 1253 . 4 1 1 A 112 112 TYR CB C 112 38.110 41.097 -2.987 1
1 1256 . 4 1 1 A 112 112 TYR N N 112 122.673 127.579 -4.906 1
1 1257 . 4 1 1 A 113 113 PRO HA H 113 4.399 4.429 -0.030 1
1 1264 . 4 1 1 A 113 113 PRO CA C 113 63.097 62.109 0.988 1
1 1265 . 4 1 1 A 113 113 PRO CB C 113 31.684 31.396 0.288 1
1 1268 . 4 1 1 A 114 114 LEU H H 114 8.225 8.799 -0.574 1
1 1269 . 4 1 1 A 114 114 LEU HA H 114 4.265 4.145 0.120 1
1 1279 . 4 1 1 A 114 114 LEU CA C 114 55.069 57.252 -2.183 1
1 1280 . 4 1 1 A 114 114 LEU CB C 114 42.104 41.791 0.313 1
1 1284 . 4 1 1 A 114 114 LEU N N 114 121.625 126.210 -4.585 1
1 1285 . 4 1 1 A 115 115 GLU H H 115 8.273 7.549 0.724 1
1 1286 . 4 1 1 A 115 115 GLU HA H 115 4.202 4.200 0.002 1
1 1291 . 4 1 1 A 115 115 GLU CA C 115 56.402 56.074 0.328 1
1 1292 . 4 1 1 A 115 115 GLU CB C 115 30.249 30.093 0.156 1
1 5 . 5 1 1 A 2 2 GLU HA H 2 4.399 4.823 -0.424 1
1 10 . 5 1 1 A 2 2 GLU CA C 2 56.358 55.121 1.237 1
1 11 . 5 1 1 A 2 2 GLU CB C 2 30.249 31.495 -1.246 1
1 13 . 5 1 1 A 3 3 ASN H H 3 8.699 8.824 -0.125 1
1 14 . 5 1 1 A 3 3 ASN HA H 3 4.753 4.860 -0.107 1
1 19 . 5 1 1 A 3 3 ASN CA C 3 53.211 53.342 -0.131 1
1 20 . 5 1 1 A 3 3 ASN CB C 3 38.733 39.180 -0.447 1
1 21 . 5 1 1 A 3 3 ASN N N 3 120.234 125.409 -5.175 1
1 23 . 5 1 1 A 4 4 SER H H 4 8.428 8.947 -0.519 1
1 24 . 5 1 1 A 4 4 SER HA H 4 4.395 4.164 0.231 1
1 27 . 5 1 1 A 4 4 SER CA C 4 59.048 59.004 0.044 1
1 28 . 5 1 1 A 4 4 SER CB C 4 63.485 62.911 0.574 1
1 29 . 5 1 1 A 4 4 SER N N 4 116.413 121.851 -5.438 1
1 30 . 5 1 1 A 5 5 GLY H H 5 8.525 7.887 0.638 1
1 31 . 5 1 1 A 5 5 GLY HA2 H 5 3.970 3.820 0.150 1
1 32 . 5 1 1 A 5 5 GLY HA3 H 5 3.969 3.879 0.090 1
1 33 . 5 1 1 A 5 5 GLY CA C 5 45.717 45.429 0.288 1
1 34 . 5 1 1 A 5 5 GLY N N 5 111.196 109.238 1.958 1
1 35 . 5 1 1 A 6 6 ALA H H 6 7.941 7.709 0.232 1
1 36 . 5 1 1 A 6 6 ALA HA H 6 4.206 4.336 -0.130 1
1 40 . 5 1 1 A 6 6 ALA CA C 6 52.988 50.881 2.107 1
1 41 . 5 1 1 A 6 6 ALA CB C 6 19.429 18.353 1.076 1
1 42 . 5 1 1 A 6 6 ALA N N 6 123.277 123.767 -0.490 1
1 43 . 5 1 1 A 7 7 TYR H H 7 8.351 8.757 -0.406 1
1 44 . 5 1 1 A 7 7 TYR HA H 7 4.509 4.839 -0.330 1
1 51 . 5 1 1 A 7 7 TYR CA C 7 57.528 57.500 0.028 1
1 52 . 5 1 1 A 7 7 TYR CB C 7 39.356 37.489 1.867 1
1 55 . 5 1 1 A 7 7 TYR N N 7 114.900 124.491 -9.591 1
1 56 . 5 1 1 A 8 8 THR H H 8 7.735 8.427 -0.692 1
1 57 . 5 1 1 A 8 8 THR HA H 8 4.922 4.860 0.062 1
1 62 . 5 1 1 A 8 8 THR CA C 8 60.827 60.491 0.336 1
1 63 . 5 1 1 A 8 8 THR CB C 8 70.109 71.036 -0.927 1
1 65 . 5 1 1 A 8 8 THR N N 8 110.856 118.100 -7.244 1
1 66 . 5 1 1 A 9 9 PHE H H 9 8.816 9.332 -0.516 1
1 67 . 5 1 1 A 9 9 PHE HA H 9 3.825 4.246 -0.421 1
1 75 . 5 1 1 A 9 9 PHE CA C 9 62.935 62.660 0.275 1
1 76 . 5 1 1 A 9 9 PHE CB C 9 39.373 39.730 -0.357 1
1 80 . 5 1 1 A 9 9 PHE N N 9 121.282 124.284 -3.002 1
1 81 . 5 1 1 A 10 10 GLU H H 10 9.741 8.718 1.023 1
1 82 . 5 1 1 A 10 10 GLU HA H 10 3.295 4.102 -0.807 1
1 87 . 5 1 1 A 10 10 GLU CA C 10 59.586 59.387 0.199 1
1 88 . 5 1 1 A 10 10 GLU CB C 10 28.453 28.949 -0.496 1
1 90 . 5 1 1 A 10 10 GLU N N 10 117.454 117.865 -0.411 1
1 91 . 5 1 1 A 11 11 THR H H 11 7.542 8.087 -0.545 1
1 92 . 5 1 1 A 11 11 THR HA H 11 3.667 3.942 -0.275 1
1 97 . 5 1 1 A 11 11 THR CA C 11 66.550 67.251 -0.701 1
1 98 . 5 1 1 A 11 11 THR CB C 11 66.557 68.728 -2.171 1
1 100 . 5 1 1 A 11 11 THR N N 11 115.970 116.255 -0.285 1
1 101 . 5 1 1 A 12 12 ILE H H 12 7.724 7.853 -0.129 1
1 102 . 5 1 1 A 12 12 ILE HA H 12 3.561 3.691 -0.130 1
1 112 . 5 1 1 A 12 12 ILE CA C 12 63.395 65.458 -2.063 1
1 113 . 5 1 1 A 12 12 ILE CB C 12 36.233 37.997 -1.764 1
1 117 . 5 1 1 A 12 12 ILE N N 12 122.235 121.187 1.048 1
1 118 . 5 1 1 A 13 13 ALA H H 13 9.099 7.876 1.223 1
1 119 . 5 1 1 A 13 13 ALA HA H 13 3.975 3.895 0.080 1
1 123 . 5 1 1 A 13 13 ALA CA C 13 55.666 55.258 0.408 1
1 124 . 5 1 1 A 13 13 ALA CB C 13 20.126 17.859 2.267 1
1 125 . 5 1 1 A 13 13 ALA N N 13 122.259 121.990 0.269 1
1 126 . 5 1 1 A 14 14 ARG H H 14 8.600 7.851 0.749 1
1 127 . 5 1 1 A 14 14 ARG HA H 14 4.097 3.838 0.259 1
1 134 . 5 1 1 A 14 14 ARG CA C 14 60.889 58.962 1.927 1
1 135 . 5 1 1 A 14 14 ARG CB C 14 29.000 29.686 -0.686 1
1 138 . 5 1 1 A 14 14 ARG N N 14 116.993 118.391 -1.398 1
1 139 . 5 1 1 A 15 15 GLU H H 15 7.924 7.667 0.257 1
1 140 . 5 1 1 A 15 15 GLU HA H 15 4.085 3.896 0.189 1
1 145 . 5 1 1 A 15 15 GLU CA C 15 59.312 59.320 -0.008 1
1 146 . 5 1 1 A 15 15 GLU CB C 15 29.866 29.505 0.361 1
1 148 . 5 1 1 A 15 15 GLU N N 15 122.758 118.494 4.264 1
1 149 . 5 1 1 A 16 16 TRP H H 16 8.864 7.729 1.135 1
1 150 . 5 1 1 A 16 16 TRP HA H 16 4.740 4.273 0.467 1
1 158 . 5 1 1 A 16 16 TRP CA C 16 60.839 59.078 1.761 1
1 159 . 5 1 1 A 16 16 TRP CB C 16 26.693 28.254 -1.561 1
1 163 . 5 1 1 A 16 16 TRP N N 16 122.323 119.932 2.391 1
1 165 . 5 1 1 A 17 17 HIS H H 17 8.803 7.096 1.707 1
1 166 . 5 1 1 A 17 17 HIS HA H 17 3.076 3.910 -0.834 1
1 170 . 5 1 1 A 17 17 HIS CA C 17 60.683 59.758 0.925 1
1 171 . 5 1 1 A 17 17 HIS CB C 17 30.772 28.784 1.988 1
1 173 . 5 1 1 A 17 17 HIS N N 17 121.293 120.346 0.947 1
1 174 . 5 1 1 A 18 18 GLU H H 18 7.897 8.434 -0.537 1
1 175 . 5 1 1 A 18 18 GLU HA H 18 3.837 3.737 0.100 1
1 180 . 5 1 1 A 18 18 GLU CA C 18 57.506 58.741 -1.235 1
1 181 . 5 1 1 A 18 18 GLU CB C 18 29.421 29.389 0.032 1
1 183 . 5 1 1 A 18 18 GLU N N 18 118.162 118.940 -0.778 1
1 184 . 5 1 1 A 19 19 SER H H 19 7.461 7.421 0.040 1
1 185 . 5 1 1 A 19 19 SER HA H 19 4.150 4.303 -0.153 1
1 188 . 5 1 1 A 19 19 SER CA C 19 60.000 61.428 -1.428 1
1 189 . 5 1 1 A 19 19 SER CB C 19 63.329 63.183 0.146 1
1 190 . 5 1 1 A 19 19 SER N N 19 112.802 115.466 -2.664 1
1 191 . 5 1 1 A 20 20 ASN H H 20 6.638 7.810 -1.172 1
1 192 . 5 1 1 A 20 20 ASN HA H 20 4.226 4.818 -0.592 1
1 195 . 5 1 1 A 20 20 ASN CA C 20 53.211 51.783 1.428 1
1 196 . 5 1 1 A 20 20 ASN CB C 20 37.021 38.278 -1.257 1
1 197 . 5 1 1 A 20 20 ASN N N 20 121.098 118.444 2.654 1
1 198 . 5 1 1 A 21 21 LYS H H 21 8.010 8.809 -0.799 1
1 199 . 5 1 1 A 21 21 LYS HA H 21 4.077 4.560 -0.483 1
1 208 . 5 1 1 A 21 21 LYS CA C 21 56.558 54.669 1.889 1
1 209 . 5 1 1 A 21 21 LYS CB C 21 32.435 34.292 -1.857 1
1 213 . 5 1 1 A 21 21 LYS N N 21 122.666 126.988 -4.322 1
1 214 . 5 1 1 A 22 22 ARG H H 22 8.007 8.427 -0.420 1
1 215 . 5 1 1 A 22 22 ARG HA H 22 4.257 4.020 0.237 1
1 222 . 5 1 1 A 22 22 ARG CA C 22 56.480 54.236 2.244 1
1 223 . 5 1 1 A 22 22 ARG CB C 22 30.000 31.902 -1.902 1
1 226 . 5 1 1 A 22 22 ARG N N 22 117.459 126.371 -8.912 1
1 227 . 5 1 1 A 23 23 TRP H H 23 7.211 8.072 -0.861 1
1 228 . 5 1 1 A 23 23 TRP HA H 23 4.938 4.219 0.719 1
1 237 . 5 1 1 A 23 23 TRP CA C 23 55.206 60.075 -4.869 1
1 238 . 5 1 1 A 23 23 TRP CB C 23 30.772 29.699 1.073 1
1 244 . 5 1 1 A 23 23 TRP N N 23 118.844 126.132 -7.288 1
1 246 . 5 1 1 A 24 24 SER H H 24 8.764 8.097 0.667 1
1 247 . 5 1 1 A 24 24 SER HA H 24 4.520 4.663 -0.143 1
1 250 . 5 1 1 A 24 24 SER CA C 24 57.647 56.714 0.933 1
1 251 . 5 1 1 A 24 24 SER CB C 24 64.419 63.832 0.587 1
1 252 . 5 1 1 A 24 24 SER N N 24 117.454 112.072 5.382 1
1 253 . 5 1 1 A 25 25 GLU H H 25 8.976 8.799 0.177 1
1 254 . 5 1 1 A 25 25 GLU HA H 25 4.076 4.109 -0.033 1
1 259 . 5 1 1 A 25 25 GLU CA C 25 59.360 58.833 0.527 1
1 260 . 5 1 1 A 25 25 GLU CB C 25 28.960 28.929 0.031 1
1 262 . 5 1 1 A 25 25 GLU N N 25 122.323 123.558 -1.235 1
1 263 . 5 1 1 A 26 26 ASP H H 26 8.608 8.184 0.424 1
1 264 . 5 1 1 A 26 26 ASP HA H 26 4.400 4.454 -0.054 1
1 267 . 5 1 1 A 26 26 ASP CA C 26 56.327 57.260 -0.933 1
1 268 . 5 1 1 A 26 26 ASP CB C 26 40.700 40.922 -0.222 1
1 269 . 5 1 1 A 26 26 ASP N N 26 118.165 121.165 -3.000 1
1 270 . 5 1 1 A 27 27 HIS H H 27 7.891 7.984 -0.093 1
1 271 . 5 1 1 A 27 27 HIS HA H 27 4.247 4.367 -0.120 1
1 275 . 5 1 1 A 27 27 HIS CA C 27 58.271 59.332 -1.061 1
1 276 . 5 1 1 A 27 27 HIS CB C 27 30.483 30.075 0.408 1
1 278 . 5 1 1 A 27 27 HIS N N 27 120.183 117.763 2.420 1
1 279 . 5 1 1 A 28 28 ARG H H 28 8.676 7.893 0.783 1
1 280 . 5 1 1 A 28 28 ARG HA H 28 3.720 3.935 -0.215 1
1 287 . 5 1 1 A 28 28 ARG CA C 28 59.444 59.579 -0.135 1
1 288 . 5 1 1 A 28 28 ARG CB C 28 30.315 29.740 0.575 1
1 291 . 5 1 1 A 28 28 ARG N N 28 118.156 121.056 -2.900 1
1 292 . 5 1 1 A 29 29 SER H H 29 8.359 7.756 0.603 1
1 293 . 5 1 1 A 29 29 SER HA H 29 4.295 4.181 0.114 1
1 296 . 5 1 1 A 29 29 SER CA C 29 60.916 61.248 -0.332 1
1 297 . 5 1 1 A 29 29 SER CB C 29 62.629 63.164 -0.535 1
1 298 . 5 1 1 A 29 29 SER N N 29 115.374 115.537 -0.163 1
1 299 . 5 1 1 A 30 30 ARG H H 30 7.860 7.905 -0.045 1
1 300 . 5 1 1 A 30 30 ARG HA H 30 3.850 4.205 -0.355 1
1 307 . 5 1 1 A 30 30 ARG CA C 30 59.162 58.565 0.597 1
1 308 . 5 1 1 A 30 30 ARG CB C 30 30.171 29.786 0.385 1
1 311 . 5 1 1 A 30 30 ARG N N 30 124.066 121.687 2.379 1
1 312 . 5 1 1 A 31 31 VAL H H 31 7.928 7.568 0.360 1
1 313 . 5 1 1 A 31 31 VAL HA H 31 4.728 3.734 0.994 1
1 321 . 5 1 1 A 31 31 VAL CA C 31 66.054 65.956 0.098 1
1 322 . 5 1 1 A 31 31 VAL CB C 31 31.961 31.376 0.585 1
1 325 . 5 1 1 A 31 31 VAL N N 31 116.760 120.223 -3.463 1
1 326 . 5 1 1 A 32 32 LEU H H 32 7.314 7.997 -0.683 1
1 327 . 5 1 1 A 32 32 LEU HA H 32 3.867 4.023 -0.156 1
1 337 . 5 1 1 A 32 32 LEU CA C 32 57.406 58.596 -1.190 1
1 338 . 5 1 1 A 32 32 LEU CB C 32 40.912 41.828 -0.916 1
1 342 . 5 1 1 A 32 32 LEU N N 32 117.541 121.636 -4.095 1
1 343 . 5 1 1 A 33 33 ARG H H 33 7.914 8.278 -0.364 1
1 344 . 5 1 1 A 33 33 ARG HA H 33 4.070 4.022 0.048 1
1 351 . 5 1 1 A 33 33 ARG CA C 33 58.815 59.648 -0.833 1
1 352 . 5 1 1 A 33 33 ARG CB C 33 29.393 29.780 -0.387 1
1 355 . 5 1 1 A 33 33 ARG N N 33 118.510 119.546 -1.036 1
1 356 . 5 1 1 A 34 34 TYR H H 34 8.211 7.863 0.348 1
1 357 . 5 1 1 A 34 34 TYR HA H 34 4.533 4.285 0.248 1
1 364 . 5 1 1 A 34 34 TYR CA C 34 59.593 61.512 -1.919 1
1 365 . 5 1 1 A 34 34 TYR CB C 34 37.021 38.582 -1.561 1
1 368 . 5 1 1 A 34 34 TYR N N 34 116.416 121.634 -5.218 1
1 369 . 5 1 1 A 35 35 LEU H H 35 7.904 8.746 -0.842 1
1 370 . 5 1 1 A 35 35 LEU HA H 35 3.670 3.941 -0.271 1
1 380 . 5 1 1 A 35 35 LEU CA C 35 57.967 58.121 -0.154 1
1 381 . 5 1 1 A 35 35 LEU CB C 35 40.740 41.841 -1.101 1
1 385 . 5 1 1 A 35 35 LEU N N 35 118.885 121.107 -2.222 1
1 386 . 5 1 1 A 36 36 GLU H H 36 8.662 8.719 -0.057 1
1 387 . 5 1 1 A 36 36 GLU HA H 36 3.993 4.119 -0.126 1
1 392 . 5 1 1 A 36 36 GLU CA C 36 59.749 59.598 0.151 1
1 393 . 5 1 1 A 36 36 GLU CB C 36 29.887 29.531 0.356 1
1 395 . 5 1 1 A 36 36 GLU N N 36 120.936 118.960 1.976 1
1 396 . 5 1 1 A 37 37 LEU H H 37 8.195 8.309 -0.114 1
1 397 . 5 1 1 A 37 37 LEU HA H 37 3.979 4.093 -0.114 1
1 407 . 5 1 1 A 37 37 LEU CA C 37 56.947 56.931 0.016 1
1 408 . 5 1 1 A 37 37 LEU CB C 37 42.936 41.538 1.398 1
1 412 . 5 1 1 A 37 37 LEU N N 37 116.413 119.827 -3.414 1
1 413 . 5 1 1 A 38 38 TYR H H 38 7.663 7.715 -0.052 1
1 414 . 5 1 1 A 38 38 TYR HA H 38 4.951 4.553 0.398 1
1 421 . 5 1 1 A 38 38 TYR CA C 38 58.581 58.748 -0.167 1
1 422 . 5 1 1 A 38 38 TYR CB C 38 41.068 40.261 0.807 1
1 425 . 5 1 1 A 38 38 TYR N N 38 110.509 116.690 -6.181 1
1 426 . 5 1 1 A 39 39 ILE H H 39 7.833 8.619 -0.786 1
1 427 . 5 1 1 A 39 39 ILE HA H 39 4.642 3.867 0.775 1
1 437 . 5 1 1 A 39 39 ILE CA C 39 60.000 62.115 -2.115 1
1 438 . 5 1 1 A 39 39 ILE CB C 39 37.111 38.239 -1.128 1
1 442 . 5 1 1 A 39 39 ILE N N 39 116.068 121.734 -5.666 1
1 443 . 5 1 1 A 40 40 PHE H H 40 9.117 7.672 1.445 1
1 444 . 5 1 1 A 40 40 PHE HA H 40 4.634 5.047 -0.413 1
1 452 . 5 1 1 A 40 40 PHE CA C 40 57.492 54.892 2.600 1
1 453 . 5 1 1 A 40 40 PHE CB C 40 34.374 38.227 -3.853 1
1 457 . 5 1 1 A 40 40 PHE N N 40 121.241 119.699 1.542 1
1 458 . 5 1 1 A 41 41 PRO HA H 41 4.388 4.464 -0.076 1
1 465 . 5 1 1 A 41 41 PRO CA C 41 66.132 65.367 0.765 1
1 466 . 5 1 1 A 41 41 PRO CB C 41 31.261 31.541 -0.280 1
1 469 . 5 1 1 A 42 42 HIS H H 42 7.153 7.631 -0.478 1
1 470 . 5 1 1 A 42 42 HIS HA H 42 4.678 4.439 0.239 1
1 474 . 5 1 1 A 42 42 HIS CA C 42 57.336 58.771 -1.435 1
1 475 . 5 1 1 A 42 42 HIS CB C 42 32.895 30.722 2.173 1
1 477 . 5 1 1 A 42 42 HIS N N 42 111.205 116.324 -5.119 1
1 478 . 5 1 1 A 43 43 ILE H H 43 7.327 7.880 -0.553 1
1 479 . 5 1 1 A 43 43 ILE HA H 43 4.938 4.190 0.748 1
1 489 . 5 1 1 A 43 43 ILE CA C 43 60.527 62.520 -1.993 1
1 490 . 5 1 1 A 43 43 ILE CB C 43 40.445 38.032 2.413 1
1 494 . 5 1 1 A 43 43 ILE N N 43 105.996 114.286 -8.290 1
1 495 . 5 1 1 A 44 44 GLY H H 44 8.958 8.117 0.841 1
1 496 . 5 1 1 A 44 44 GLY HA2 H 44 4.340 4.167 0.173 1
1 497 . 5 1 1 A 44 44 GLY HA3 H 44 3.855 4.255 -0.400 1
1 498 . 5 1 1 A 44 44 GLY CA C 44 48.385 45.591 2.794 1
1 499 . 5 1 1 A 44 44 GLY N N 44 110.704 111.472 -0.768 1
1 500 . 5 1 1 A 45 45 SER H H 45 8.294 8.214 0.080 1
1 501 . 5 1 1 A 45 45 SER HA H 45 4.517 4.362 0.155 1
1 504 . 5 1 1 A 45 45 SER CA C 45 58.270 58.913 -0.643 1
1 505 . 5 1 1 A 45 45 SER CB C 45 63.563 63.767 -0.204 1
1 506 . 5 1 1 A 45 45 SER N N 45 110.505 113.101 -2.596 1
1 507 . 5 1 1 A 46 46 SER H H 46 7.689 7.575 0.114 1
1 508 . 5 1 1 A 46 46 SER HA H 46 4.322 4.815 -0.493 1
1 511 . 5 1 1 A 46 46 SER CA C 46 59.282 57.139 2.143 1
1 512 . 5 1 1 A 46 46 SER CB C 46 63.719 65.958 -2.239 1
1 513 . 5 1 1 A 46 46 SER N N 46 119.190 117.077 2.113 1
1 514 . 5 1 1 A 47 47 ASP H H 47 8.646 8.776 -0.130 1
1 515 . 5 1 1 A 47 47 ASP HA H 47 4.446 5.055 -0.609 1
1 518 . 5 1 1 A 47 47 ASP CA C 47 54.145 53.343 0.802 1
1 519 . 5 1 1 A 47 47 ASP CB C 47 41.652 42.865 -1.213 1
1 520 . 5 1 1 A 47 47 ASP N N 47 124.868 122.735 2.133 1
1 521 . 5 1 1 A 48 48 ILE H H 48 9.406 8.874 0.532 1
1 522 . 5 1 1 A 48 48 ILE HA H 48 4.091 4.232 -0.141 1
1 532 . 5 1 1 A 48 48 ILE CA C 48 63.844 63.356 0.488 1
1 533 . 5 1 1 A 48 48 ILE CB C 48 39.845 38.379 1.466 1
1 537 . 5 1 1 A 48 48 ILE N N 48 129.573 126.130 3.443 1
1 538 . 5 1 1 A 49 49 ARG H H 49 9.004 8.443 0.561 1
1 539 . 5 1 1 A 49 49 ARG HA H 49 4.166 4.427 -0.261 1
1 546 . 5 1 1 A 49 49 ARG CA C 49 57.534 58.775 -1.241 1
1 547 . 5 1 1 A 49 49 ARG CB C 49 29.870 30.494 -0.624 1
1 548 . 5 1 1 A 49 49 ARG N N 49 119.541 121.466 -1.925 1
1 549 . 5 1 1 A 50 50 GLN H H 50 7.868 7.694 0.174 1
1 550 . 5 1 1 A 50 50 GLN HA H 50 4.498 4.606 -0.108 1
1 557 . 5 1 1 A 50 50 GLN CA C 50 54.633 54.753 -0.120 1
1 558 . 5 1 1 A 50 50 GLN CB C 50 29.548 28.704 0.844 1
1 560 . 5 1 1 A 50 50 GLN N N 50 114.374 118.165 -3.791 1
1 562 . 5 1 1 A 51 51 LEU H H 51 6.799 8.820 -2.021 1
1 563 . 5 1 1 A 51 51 LEU HA H 51 4.516 5.072 -0.556 1
1 573 . 5 1 1 A 51 51 LEU CA C 51 54.519 54.209 0.310 1
1 574 . 5 1 1 A 51 51 LEU CB C 51 43.014 44.877 -1.863 1
1 578 . 5 1 1 A 51 51 LEU N N 51 119.548 127.229 -7.681 1
1 579 . 5 1 1 A 52 52 LYS H H 52 10.373 8.632 1.741 1
1 580 . 5 1 1 A 52 52 LYS HA H 52 4.725 4.696 0.029 1
1 589 . 5 1 1 A 52 52 LYS CA C 52 53.806 54.785 -0.979 1
1 590 . 5 1 1 A 52 52 LYS CB C 52 34.394 34.179 0.215 1
1 594 . 5 1 1 A 52 52 LYS N N 52 125.943 124.793 1.150 1
1 595 . 5 1 1 A 53 53 THR H H 53 8.724 8.759 -0.035 1
1 596 . 5 1 1 A 53 53 THR HA H 53 4.727 4.579 0.148 1
1 601 . 5 1 1 A 53 53 THR CA C 53 57.570 61.404 -3.834 1
1 602 . 5 1 1 A 53 53 THR CB C 53 68.467 69.469 -1.002 1
1 604 . 5 1 1 A 53 53 THR N N 53 117.533 115.449 2.084 1
1 605 . 5 1 1 A 54 54 SER H H 54 8.416 8.884 -0.468 1
1 606 . 5 1 1 A 54 54 SER HA H 54 4.743 4.281 0.462 1
1 609 . 5 1 1 A 54 54 SER CA C 54 61.306 60.351 0.955 1
1 610 . 5 1 1 A 54 54 SER CB C 54 61.132 62.896 -1.764 1
1 611 . 5 1 1 A 54 54 SER N N 54 112.941 117.513 -4.572 1
1 612 . 5 1 1 A 55 55 HIS H H 55 7.077 7.507 -0.430 1
1 613 . 5 1 1 A 55 55 HIS HA H 55 4.425 4.294 0.131 1
1 617 . 5 1 1 A 55 55 HIS CA C 55 58.659 59.212 -0.553 1
1 618 . 5 1 1 A 55 55 HIS CB C 55 33.051 29.738 3.313 1
1 620 . 5 1 1 A 55 55 HIS N N 55 120.680 119.074 1.606 1
1 621 . 5 1 1 A 56 56 LEU H H 56 7.410 7.660 -0.250 1
1 622 . 5 1 1 A 56 56 LEU HA H 56 3.916 4.047 -0.131 1
1 632 . 5 1 1 A 56 56 LEU CA C 56 56.558 57.334 -0.776 1
1 633 . 5 1 1 A 56 56 LEU CB C 56 42.547 41.551 0.996 1
1 637 . 5 1 1 A 56 56 LEU N N 56 115.029 115.919 -0.890 1
1 638 . 5 1 1 A 57 57 LEU H H 57 7.906 7.933 -0.027 1
1 639 . 5 1 1 A 57 57 LEU HA H 57 4.073 4.085 -0.012 1
1 649 . 5 1 1 A 57 57 LEU CA C 57 56.047 57.395 -1.348 1
1 650 . 5 1 1 A 57 57 LEU CB C 57 42.575 41.078 1.497 1
1 654 . 5 1 1 A 57 57 LEU N N 57 113.214 121.383 -8.169 1
1 655 . 5 1 1 A 58 58 ALA H H 58 7.367 7.823 -0.456 1
1 656 . 5 1 1 A 58 58 ALA HA H 58 4.176 4.091 0.085 1
1 660 . 5 1 1 A 58 58 ALA CA C 58 57.049 56.972 0.077 1
1 661 . 5 1 1 A 58 58 ALA CB C 58 15.362 17.620 -2.258 1
1 662 . 5 1 1 A 58 58 ALA N N 58 120.662 121.929 -1.267 1
1 663 . 5 1 1 A 59 59 PRO HA H 59 4.133 4.154 -0.021 1
1 670 . 5 1 1 A 59 59 PRO CA C 59 65.120 65.762 -0.642 1
1 671 . 5 1 1 A 59 59 PRO CB C 59 31.183 30.602 0.581 1
1 674 . 5 1 1 A 60 60 ILE H H 60 6.643 7.104 -0.461 1
1 675 . 5 1 1 A 60 60 ILE HA H 60 3.383 3.854 -0.471 1
1 685 . 5 1 1 A 60 60 ILE CA C 60 64.886 63.992 0.894 1
1 686 . 5 1 1 A 60 60 ILE CB C 60 37.799 36.753 1.046 1
1 690 . 5 1 1 A 60 60 ILE N N 60 117.809 116.313 1.496 1
1 691 . 5 1 1 A 61 61 LYS H H 61 8.635 8.117 0.518 1
1 692 . 5 1 1 A 61 61 LYS HA H 61 3.992 3.941 0.051 1
1 701 . 5 1 1 A 61 61 LYS CA C 61 59.048 58.939 0.109 1
1 702 . 5 1 1 A 61 61 LYS CB C 61 31.678 31.862 -0.184 1
1 706 . 5 1 1 A 61 61 LYS N N 61 120.585 122.310 -1.725 1
1 707 . 5 1 1 A 62 62 GLU H H 62 7.664 7.786 -0.122 1
1 708 . 5 1 1 A 62 62 GLU HA H 62 3.992 4.113 -0.121 1
1 713 . 5 1 1 A 62 62 GLU CA C 62 59.593 59.084 0.509 1
1 714 . 5 1 1 A 62 62 GLU CB C 62 28.975 29.359 -0.384 1
1 716 . 5 1 1 A 62 62 GLU N N 62 118.505 118.746 -0.241 1
1 717 . 5 1 1 A 63 63 VAL H H 63 7.227 7.453 -0.226 1
1 718 . 5 1 1 A 63 63 VAL HA H 63 3.545 3.591 -0.046 1
1 726 . 5 1 1 A 63 63 VAL CA C 63 65.663 66.851 -1.188 1
1 727 . 5 1 1 A 63 63 VAL CB C 63 31.650 31.569 0.081 1
1 730 . 5 1 1 A 63 63 VAL N N 63 119.540 120.199 -0.659 1
1 731 . 5 1 1 A 64 64 ASP H H 64 8.281 8.231 0.050 1
1 732 . 5 1 1 A 64 64 ASP HA H 64 3.984 4.366 -0.382 1
1 735 . 5 1 1 A 64 64 ASP CA C 64 58.860 57.447 1.413 1
1 736 . 5 1 1 A 64 64 ASP CB C 64 42.561 41.734 0.827 1
1 737 . 5 1 1 A 64 64 ASP N N 64 122.316 120.346 1.970 1
1 738 . 5 1 1 A 65 65 THR H H 65 8.818 8.516 0.302 1
1 739 . 5 1 1 A 65 65 THR HA H 65 4.310 4.015 0.295 1
1 744 . 5 1 1 A 65 65 THR CA C 65 68.825 65.990 2.835 1
1 745 . 5 1 1 A 65 65 THR CB C 65 65.195 68.210 -3.015 1
1 747 . 5 1 1 A 65 65 THR N N 65 112.808 115.900 -3.092 1
1 748 . 5 1 1 A 66 66 SER H H 66 7.596 7.532 0.064 1
1 749 . 5 1 1 A 66 66 SER HA H 66 4.469 4.473 -0.004 1
1 752 . 5 1 1 A 66 66 SER CA C 66 59.827 58.907 0.920 1
1 753 . 5 1 1 A 66 66 SER CB C 66 63.641 63.261 0.380 1
1 754 . 5 1 1 A 66 66 SER N N 66 116.412 114.413 1.999 1
1 755 . 5 1 1 A 67 67 GLY H H 67 7.781 8.115 -0.334 1
1 756 . 5 1 1 A 67 67 GLY HA2 H 67 4.467 3.949 0.518 1
1 757 . 5 1 1 A 67 67 GLY HA3 H 67 3.355 3.960 -0.605 1
1 758 . 5 1 1 A 67 67 GLY CA C 67 44.337 45.272 -0.935 1
1 759 . 5 1 1 A 67 67 GLY N N 67 108.565 107.786 0.779 1
1 760 . 5 1 1 A 68 68 LYS H H 68 6.932 7.579 -0.647 1
1 761 . 5 1 1 A 68 68 LYS HA H 68 4.706 4.574 0.132 1
1 770 . 5 1 1 A 68 68 LYS CA C 68 54.145 54.874 -0.729 1
1 771 . 5 1 1 A 68 68 LYS CB C 68 30.325 31.576 -1.251 1
1 775 . 5 1 1 A 68 68 LYS N N 68 121.979 120.027 1.952 1
1 776 . 5 1 1 A 69 69 HIS H H 69 7.630 7.812 -0.182 1
1 777 . 5 1 1 A 69 69 HIS HA H 69 4.544 4.329 0.215 1
1 780 . 5 1 1 A 69 69 HIS CA C 69 58.270 58.824 -0.554 1
1 781 . 5 1 1 A 69 69 HIS CB C 69 28.303 28.776 -0.473 1
1 782 . 5 1 1 A 69 69 HIS N N 69 119.617 118.860 0.757 1
1 783 . 5 1 1 A 70 70 ASP H H 70 8.779 8.668 0.111 1
1 784 . 5 1 1 A 70 70 ASP HA H 70 4.330 4.384 -0.054 1
1 787 . 5 1 1 A 70 70 ASP CA C 70 56.869 57.049 -0.180 1
1 788 . 5 1 1 A 70 70 ASP CB C 70 39.433 39.873 -0.440 1
1 789 . 5 1 1 A 70 70 ASP N N 70 118.586 120.804 -2.218 1
1 790 . 5 1 1 A 71 71 VAL H H 71 7.575 7.957 -0.382 1
1 791 . 5 1 1 A 71 71 VAL HA H 71 3.232 3.530 -0.298 1
1 799 . 5 1 1 A 71 71 VAL CA C 71 66.131 66.314 -0.183 1
1 800 . 5 1 1 A 71 71 VAL CB C 71 31.105 31.416 -0.311 1
1 803 . 5 1 1 A 71 71 VAL N N 71 121.186 121.274 -0.088 1
1 804 . 5 1 1 A 72 72 ALA H H 72 8.022 8.556 -0.534 1
1 805 . 5 1 1 A 72 72 ALA HA H 72 3.682 3.992 -0.310 1
1 809 . 5 1 1 A 72 72 ALA CA C 72 55.702 55.951 -0.249 1
1 810 . 5 1 1 A 72 72 ALA CB C 72 18.028 18.259 -0.231 1
1 811 . 5 1 1 A 72 72 ALA N N 72 120.675 122.263 -1.588 1
1 812 . 5 1 1 A 73 73 GLN H H 73 7.793 7.761 0.032 1
1 813 . 5 1 1 A 73 73 GLN HA H 73 3.971 3.962 0.009 1
1 820 . 5 1 1 A 73 73 GLN CA C 73 58.872 59.057 -0.185 1
1 821 . 5 1 1 A 73 73 GLN CB C 73 28.073 28.450 -0.377 1
1 823 . 5 1 1 A 73 73 GLN N N 73 115.949 117.882 -1.933 1
1 825 . 5 1 1 A 74 74 ARG H H 74 7.795 7.516 0.279 1
1 826 . 5 1 1 A 74 74 ARG HA H 74 4.108 4.114 -0.006 1
1 833 . 5 1 1 A 74 74 ARG CA C 74 59.282 58.766 0.516 1
1 834 . 5 1 1 A 74 74 ARG CB C 74 29.857 30.188 -0.331 1
1 837 . 5 1 1 A 74 74 ARG N N 74 119.896 120.001 -0.105 1
1 838 . 5 1 1 A 75 75 LEU H H 75 8.850 8.300 0.550 1
1 839 . 5 1 1 A 75 75 LEU HA H 75 3.935 4.034 -0.099 1
1 849 . 5 1 1 A 75 75 LEU CA C 75 57.803 57.904 -0.101 1
1 850 . 5 1 1 A 75 75 LEU CB C 75 42.858 41.351 1.507 1
1 854 . 5 1 1 A 75 75 LEU N N 75 118.044 119.265 -1.221 1
1 855 . 5 1 1 A 76 76 GLN H H 76 8.412 8.435 -0.023 1
1 856 . 5 1 1 A 76 76 GLN HA H 76 3.790 4.024 -0.234 1
1 861 . 5 1 1 A 76 76 GLN CA C 76 60.294 58.903 1.391 1
1 862 . 5 1 1 A 76 76 GLN CB C 76 27.995 28.200 -0.205 1
1 864 . 5 1 1 A 76 76 GLN N N 76 119.109 117.549 1.560 1
1 865 . 5 1 1 A 77 77 GLN H H 77 7.788 8.784 -0.996 1
1 866 . 5 1 1 A 77 77 GLN HA H 77 4.090 4.110 -0.020 1
1 873 . 5 1 1 A 77 77 GLN CA C 77 59.318 58.110 1.208 1
1 874 . 5 1 1 A 77 77 GLN CB C 77 28.054 27.287 0.767 1
1 876 . 5 1 1 A 77 77 GLN N N 77 119.616 118.231 1.385 1
1 878 . 5 1 1 A 78 78 ARG H H 78 8.552 7.683 0.869 1
1 879 . 5 1 1 A 78 78 ARG HA H 78 4.171 4.182 -0.011 1
1 886 . 5 1 1 A 78 78 ARG CA C 78 57.946 58.708 -0.762 1
1 887 . 5 1 1 A 78 78 ARG CB C 78 28.958 30.215 -1.257 1
1 890 . 5 1 1 A 78 78 ARG N N 78 118.044 120.458 -2.414 1
1 891 . 5 1 1 A 79 79 VAL H H 79 8.958 8.056 0.902 1
1 892 . 5 1 1 A 79 79 VAL HA H 79 3.603 4.042 -0.439 1
1 900 . 5 1 1 A 79 79 VAL CA C 79 67.284 65.225 2.059 1
1 901 . 5 1 1 A 79 79 VAL CB C 79 31.228 31.405 -0.177 1
1 904 . 5 1 1 A 79 79 VAL N N 79 116.998 118.978 -1.980 1
1 905 . 5 1 1 A 80 80 THR H H 80 7.938 7.853 0.085 1
1 906 . 5 1 1 A 80 80 THR HA H 80 4.301 4.140 0.161 1
1 911 . 5 1 1 A 80 80 THR CA C 80 67.976 65.342 2.634 1
1 912 . 5 1 1 A 80 80 THR CB C 80 67.466 68.505 -1.039 1
1 914 . 5 1 1 A 80 80 THR N N 80 115.701 115.300 0.401 1
1 915 . 5 1 1 A 81 81 ALA H H 81 7.656 7.720 -0.064 1
1 916 . 5 1 1 A 81 81 ALA HA H 81 4.070 3.865 0.205 1
1 920 . 5 1 1 A 81 81 ALA CA C 81 55.232 54.737 0.495 1
1 921 . 5 1 1 A 81 81 ALA CB C 81 18.087 18.127 -0.040 1
1 922 . 5 1 1 A 81 81 ALA N N 81 124.407 123.890 0.517 1
1 923 . 5 1 1 A 82 82 ILE H H 82 7.901 7.922 -0.021 1
1 924 . 5 1 1 A 82 82 ILE HA H 82 2.733 3.975 -1.242 1
1 934 . 5 1 1 A 82 82 ILE CA C 82 65.450 65.132 0.318 1
1 935 . 5 1 1 A 82 82 ILE CB C 82 37.569 38.236 -0.667 1
1 939 . 5 1 1 A 82 82 ILE N N 82 121.196 119.274 1.922 1
1 940 . 5 1 1 A 83 83 MET H H 83 8.258 8.558 -0.300 1
1 941 . 5 1 1 A 83 83 MET HA H 83 4.556 4.332 0.224 1
1 949 . 5 1 1 A 83 83 MET CA C 83 56.403 58.419 -2.016 1
1 950 . 5 1 1 A 83 83 MET CB C 83 29.782 32.216 -2.434 1
1 953 . 5 1 1 A 83 83 MET N N 83 120.154 120.928 -0.774 1
1 954 . 5 1 1 A 84 84 ARG H H 84 7.915 7.846 0.069 1
1 955 . 5 1 1 A 84 84 ARG HA H 84 4.039 3.870 0.169 1
1 962 . 5 1 1 A 84 84 ARG CA C 84 59.749 59.136 0.613 1
1 963 . 5 1 1 A 84 84 ARG CB C 84 30.000 29.797 0.203 1
1 966 . 5 1 1 A 84 84 ARG N N 84 116.534 119.444 -2.910 1
1 967 . 5 1 1 A 85 85 TYR H H 85 8.221 8.012 0.209 1
1 968 . 5 1 1 A 85 85 TYR HA H 85 4.255 4.172 0.083 1
1 975 . 5 1 1 A 85 85 TYR CA C 85 61.382 61.697 -0.315 1
1 976 . 5 1 1 A 85 85 TYR CB C 85 38.499 38.835 -0.336 1
1 979 . 5 1 1 A 85 85 TYR N N 85 122.313 121.381 0.932 1
1 980 . 5 1 1 A 86 86 ALA H H 86 8.804 7.980 0.824 1
1 981 . 5 1 1 A 86 86 ALA HA H 86 4.223 4.336 -0.113 1
1 985 . 5 1 1 A 86 86 ALA CA C 86 55.043 54.881 0.162 1
1 986 . 5 1 1 A 86 86 ALA CB C 86 18.087 18.623 -0.536 1
1 987 . 5 1 1 A 86 86 ALA N N 86 123.291 121.744 1.547 1
1 988 . 5 1 1 A 87 87 VAL H H 87 8.113 7.482 0.631 1
1 989 . 5 1 1 A 87 87 VAL HA H 87 4.170 3.556 0.614 1
1 997 . 5 1 1 A 87 87 VAL CA C 87 65.146 66.743 -1.597 1
1 998 . 5 1 1 A 87 87 VAL CB C 87 31.897 31.236 0.661 1
1 1001 . 5 1 1 A 87 87 VAL N N 87 120.144 118.617 1.527 1
1 1002 . 5 1 1 A 88 88 GLN H H 88 8.458 7.842 0.616 1
1 1003 . 5 1 1 A 88 88 GLN HA H 88 3.983 3.895 0.088 1
1 1010 . 5 1 1 A 88 88 GLN CA C 88 58.270 58.700 -0.430 1
1 1011 . 5 1 1 A 88 88 GLN CB C 88 28.075 28.176 -0.101 1
1 1013 . 5 1 1 A 88 88 GLN N N 88 120.751 120.086 0.665 1
1 1015 . 5 1 1 A 89 89 ASN H H 89 7.359 7.900 -0.541 1
1 1016 . 5 1 1 A 89 89 ASN HA H 89 4.486 4.637 -0.151 1
1 1021 . 5 1 1 A 89 89 ASN CA C 89 53.444 52.617 0.827 1
1 1022 . 5 1 1 A 89 89 ASN CB C 89 38.932 37.961 0.971 1
1 1023 . 5 1 1 A 89 89 ASN N N 89 113.850 113.299 0.551 1
1 1025 . 5 1 1 A 90 90 ASP H H 90 7.849 8.276 -0.427 1
1 1026 . 5 1 1 A 90 90 ASP HA H 90 4.387 4.334 0.053 1
1 1029 . 5 1 1 A 90 90 ASP CA C 90 55.935 54.934 1.001 1
1 1030 . 5 1 1 A 90 90 ASP CB C 90 38.811 39.278 -0.467 1
1 1031 . 5 1 1 A 90 90 ASP N N 90 113.293 119.068 -5.775 1
1 1032 . 5 1 1 A 91 91 TYR H H 91 8.489 8.550 -0.061 1
1 1033 . 5 1 1 A 91 91 TYR HA H 91 4.589 4.678 -0.089 1
1 1040 . 5 1 1 A 91 91 TYR CA C 91 60.000 57.165 2.835 1
1 1041 . 5 1 1 A 91 91 TYR CB C 91 38.811 40.014 -1.203 1
1 1044 . 5 1 1 A 91 91 TYR N N 91 116.072 116.957 -0.885 1
1 1045 . 5 1 1 A 92 92 ILE H H 92 7.131 7.326 -0.195 1
1 1046 . 5 1 1 A 92 92 ILE HA H 92 4.684 4.601 0.083 1
1 1056 . 5 1 1 A 92 92 ILE CA C 92 59.126 58.647 0.479 1
1 1057 . 5 1 1 A 92 92 ILE CB C 92 41.846 41.205 0.641 1
1 1061 . 5 1 1 A 92 92 ILE N N 92 107.409 115.502 -8.093 1
1 1062 . 5 1 1 A 93 93 ASP H H 93 8.731 9.018 -0.287 1
1 1063 . 5 1 1 A 93 93 ASP HA H 93 4.707 4.990 -0.283 1
1 1066 . 5 1 1 A 93 93 ASP CA C 93 54.689 53.699 0.990 1
1 1067 . 5 1 1 A 93 93 ASP CB C 93 41.924 41.478 0.446 1
1 1068 . 5 1 1 A 93 93 ASP N N 93 118.847 121.952 -3.105 1
1 1069 . 5 1 1 A 94 94 SER H H 94 7.638 7.754 -0.116 1
1 1070 . 5 1 1 A 94 94 SER HA H 94 4.491 4.563 -0.072 1
1 1073 . 5 1 1 A 94 94 SER CA C 94 57.102 59.312 -2.210 1
1 1074 . 5 1 1 A 94 94 SER CB C 94 64.186 64.722 -0.536 1
1 1075 . 5 1 1 A 94 94 SER N N 94 112.240 113.587 -1.347 1
1 1076 . 5 1 1 A 95 95 ASN H H 95 8.801 8.173 0.628 1
1 1077 . 5 1 1 A 95 95 ASN HA H 95 4.942 4.400 0.542 1
1 1082 . 5 1 1 A 95 95 ASN CA C 95 49.941 53.927 -3.986 1
1 1083 . 5 1 1 A 95 95 ASN CB C 95 39.356 36.796 2.560 1
1 1084 . 5 1 1 A 95 95 ASN N N 95 119.551 118.586 0.965 1
1 1086 . 5 1 1 A 96 96 PRO HA H 96 4.632 4.524 0.108 1
1 1093 . 5 1 1 A 96 96 PRO CA C 96 63.564 64.157 -0.593 1
1 1094 . 5 1 1 A 96 96 PRO CB C 96 32.058 31.771 0.287 1
1 1097 . 5 1 1 A 97 97 ALA H H 97 8.335 8.246 0.089 1
1 1098 . 5 1 1 A 97 97 ALA HA H 97 4.436 4.433 0.003 1
1 1102 . 5 1 1 A 97 97 ALA CA C 97 52.055 51.347 0.708 1
1 1103 . 5 1 1 A 97 97 ALA CB C 97 18.998 17.810 1.188 1
1 1104 . 5 1 1 A 97 97 ALA N N 97 121.226 122.470 -1.244 1
1 1105 . 5 1 1 A 98 98 SER H H 98 7.600 8.159 -0.559 1
1 1106 . 5 1 1 A 98 98 SER HA H 98 4.168 4.727 -0.559 1
1 1109 . 5 1 1 A 98 98 SER CA C 98 60.372 59.445 0.927 1
1 1110 . 5 1 1 A 98 98 SER CB C 98 63.018 65.166 -2.148 1
1 1111 . 5 1 1 A 98 98 SER N N 98 114.935 118.976 -4.041 1
1 1112 . 5 1 1 A 99 99 ASP H H 99 8.098 8.077 0.021 1
1 1113 . 5 1 1 A 99 99 ASP HA H 99 4.760 4.997 -0.237 1
1 1116 . 5 1 1 A 99 99 ASP CA C 99 54.300 53.733 0.567 1
1 1117 . 5 1 1 A 99 99 ASP CB C 99 40.835 40.539 0.296 1
1 1118 . 5 1 1 A 99 99 ASP N N 99 119.889 118.565 1.324 1
1 1119 . 5 1 1 A 100 100 MET H H 100 7.885 8.064 -0.179 1
1 1120 . 5 1 1 A 100 100 MET HA H 100 4.205 4.496 -0.291 1
1 1128 . 5 1 1 A 100 100 MET CA C 100 57.025 57.809 -0.784 1
1 1129 . 5 1 1 A 100 100 MET CB C 100 33.038 33.532 -0.494 1
1 1132 . 5 1 1 A 100 100 MET N N 100 119.185 119.276 -0.091 1
1 1133 . 5 1 1 A 101 101 ALA H H 101 8.041 7.582 0.459 1
1 1134 . 5 1 1 A 101 101 ALA HA H 101 4.137 4.463 -0.326 1
1 1138 . 5 1 1 A 101 101 ALA CA C 101 53.655 51.670 1.985 1
1 1139 . 5 1 1 A 101 101 ALA CB C 101 18.537 18.867 -0.330 1
1 1140 . 5 1 1 A 101 101 ALA N N 101 122.264 119.348 2.916 1
1 1141 . 5 1 1 A 102 102 GLY H H 102 8.293 8.026 0.267 1
1 1142 . 5 1 1 A 102 102 GLY HA2 H 102 3.910 3.832 0.078 1
1 1143 . 5 1 1 A 102 102 GLY HA3 H 102 3.913 3.833 0.080 1
1 1144 . 5 1 1 A 102 102 GLY CA C 102 45.664 46.357 -0.693 1
1 1145 . 5 1 1 A 102 102 GLY N N 102 107.557 106.875 0.682 1
1 1146 . 5 1 1 A 103 103 ALA H H 103 7.955 8.608 -0.653 1
1 1147 . 5 1 1 A 103 103 ALA HA H 103 4.235 3.912 0.323 1
1 1151 . 5 1 1 A 103 103 ALA CA C 103 53.423 52.896 0.527 1
1 1152 . 5 1 1 A 103 103 ALA CB C 103 19.219 17.723 1.496 1
1 1153 . 5 1 1 A 103 103 ALA N N 103 123.285 124.263 -0.978 1
1 1154 . 5 1 1 A 104 104 LEU H H 104 8.145 7.992 0.153 1
1 1155 . 5 1 1 A 104 104 LEU HA H 104 4.301 4.699 -0.398 1
1 1165 . 5 1 1 A 104 104 LEU CA C 104 55.312 53.304 2.008 1
1 1166 . 5 1 1 A 104 104 LEU CB C 104 41.644 43.674 -2.030 1
1 1170 . 5 1 1 A 104 104 LEU N N 104 118.570 121.429 -2.859 1
1 1171 . 5 1 1 A 105 105 SER H H 105 8.040 8.850 -0.810 1
1 1172 . 5 1 1 A 105 105 SER HA H 105 4.390 4.116 0.274 1
1 1175 . 5 1 1 A 105 105 SER CA C 105 58.893 59.548 -0.655 1
1 1176 . 5 1 1 A 105 105 SER CB C 105 63.424 62.802 0.622 1
1 1177 . 5 1 1 A 105 105 SER N N 105 115.022 121.660 -6.638 1
1 1178 . 5 1 1 A 106 106 THR H H 106 8.032 7.715 0.317 1
1 1179 . 5 1 1 A 106 106 THR HA H 106 4.293 4.263 0.030 1
1 1184 . 5 1 1 A 106 106 THR CA C 106 62.037 63.048 -1.011 1
1 1185 . 5 1 1 A 106 106 THR CB C 106 69.401 68.536 0.865 1
1 1187 . 5 1 1 A 106 106 THR N N 106 115.371 116.908 -1.537 1
1 1188 . 5 1 1 A 107 107 THR H H 107 7.940 8.815 -0.875 1
1 1189 . 5 1 1 A 107 107 THR HA H 107 4.296 4.400 -0.104 1
1 1194 . 5 1 1 A 107 107 THR CA C 107 61.539 63.843 -2.304 1
1 1195 . 5 1 1 A 107 107 THR CB C 107 61.610 70.079 -8.469 1
1 1197 . 5 1 1 A 107 107 THR N N 107 122.759 121.559 1.200 1
1 1198 . 5 1 1 A 108 108 LYS H H 108 8.240 7.701 0.539 1
1 1199 . 5 1 1 A 108 108 LYS HA H 108 4.241 4.646 -0.405 1
1 1208 . 5 1 1 A 108 108 LYS CA C 108 56.324 55.755 0.569 1
1 1209 . 5 1 1 A 108 108 LYS CB C 108 32.817 32.875 -0.058 1
1 1213 . 5 1 1 A 108 108 LYS N N 108 124.773 118.572 6.201 1
1 1214 . 5 1 1 A 109 109 ALA H H 109 8.131 8.530 -0.399 1
1 1215 . 5 1 1 A 109 109 ALA HA H 109 4.224 4.714 -0.490 1
1 1219 . 5 1 1 A 109 109 ALA CA C 109 52.432 51.257 1.175 1
1 1220 . 5 1 1 A 109 109 ALA CB C 109 19.017 19.417 -0.400 1
1 1221 . 5 1 1 A 109 109 ALA N N 109 124.331 127.799 -3.468 1
1 1222 . 5 1 1 A 110 110 ARG H H 110 8.114 7.844 0.270 1
1 1223 . 5 1 1 A 110 110 ARG HA H 110 4.191 4.544 -0.353 1
1 1230 . 5 1 1 A 110 110 ARG CA C 110 56.013 57.209 -1.196 1
1 1231 . 5 1 1 A 110 110 ARG CB C 110 30.871 32.146 -1.275 1
1 1234 . 5 1 1 A 110 110 ARG N N 110 119.544 118.451 1.093 1
1 1235 . 5 1 1 A 111 111 HIS H H 111 8.283 8.184 0.099 1
1 1236 . 5 1 1 A 111 111 HIS HA H 111 4.604 5.068 -0.464 1
1 1240 . 5 1 1 A 111 111 HIS CA C 111 55.448 55.172 0.276 1
1 1241 . 5 1 1 A 111 111 HIS CB C 111 29.866 31.986 -2.120 1
1 1243 . 5 1 1 A 111 111 HIS N N 111 119.886 117.480 2.406 1
1 1244 . 5 1 1 A 112 112 TYR H H 112 8.179 8.370 -0.191 1
1 1245 . 5 1 1 A 112 112 TYR HA H 112 4.766 5.381 -0.615 1
1 1252 . 5 1 1 A 112 112 TYR CA C 112 55.701 55.103 0.598 1
1 1253 . 5 1 1 A 112 112 TYR CB C 112 38.110 41.140 -3.030 1
1 1256 . 5 1 1 A 112 112 TYR N N 112 122.673 120.944 1.729 1
1 1257 . 5 1 1 A 113 113 PRO HA H 113 4.399 4.472 -0.073 1
1 1264 . 5 1 1 A 113 113 PRO CA C 113 63.097 62.878 0.219 1
1 1265 . 5 1 1 A 113 113 PRO CB C 113 31.684 32.484 -0.800 1
1 1268 . 5 1 1 A 114 114 LEU H H 114 8.225 8.421 -0.196 1
1 1269 . 5 1 1 A 114 114 LEU HA H 114 4.265 4.256 0.009 1
1 1279 . 5 1 1 A 114 114 LEU CA C 114 55.069 57.193 -2.124 1
1 1280 . 5 1 1 A 114 114 LEU CB C 114 42.104 42.638 -0.534 1
1 1284 . 5 1 1 A 114 114 LEU N N 114 121.625 122.077 -0.452 1
1 1285 . 5 1 1 A 115 115 GLU H H 115 8.273 7.561 0.712 1
1 1286 . 5 1 1 A 115 115 GLU HA H 115 4.202 4.605 -0.403 1
1 1291 . 5 1 1 A 115 115 GLU CA C 115 56.402 56.138 0.264 1
1 1292 . 5 1 1 A 115 115 GLU CB C 115 30.249 32.137 -1.888 1
1 5 . 6 1 1 A 2 2 GLU HA H 2 4.399 4.246 0.153 1
1 10 . 6 1 1 A 2 2 GLU CA C 2 56.358 57.342 -0.984 1
1 11 . 6 1 1 A 2 2 GLU CB C 2 30.249 28.748 1.501 1
1 13 . 6 1 1 A 3 3 ASN H H 3 8.699 8.818 -0.119 1
1 14 . 6 1 1 A 3 3 ASN HA H 3 4.753 5.471 -0.718 1
1 19 . 6 1 1 A 3 3 ASN CA C 3 53.211 52.152 1.059 1
1 20 . 6 1 1 A 3 3 ASN CB C 3 38.733 41.442 -2.709 1
1 21 . 6 1 1 A 3 3 ASN N N 3 120.234 125.092 -4.858 1
1 23 . 6 1 1 A 4 4 SER H H 4 8.428 8.808 -0.380 1
1 24 . 6 1 1 A 4 4 SER HA H 4 4.395 4.990 -0.595 1
1 27 . 6 1 1 A 4 4 SER CA C 4 59.048 56.520 2.528 1
1 28 . 6 1 1 A 4 4 SER CB C 4 63.485 66.049 -2.564 1
1 29 . 6 1 1 A 4 4 SER N N 4 116.413 119.167 -2.754 1
1 30 . 6 1 1 A 5 5 GLY H H 5 8.525 8.505 0.020 1
1 31 . 6 1 1 A 5 5 GLY HA2 H 5 3.970 4.223 -0.253 1
1 32 . 6 1 1 A 5 5 GLY HA3 H 5 3.969 4.226 -0.257 1
1 33 . 6 1 1 A 5 5 GLY CA C 5 45.717 44.762 0.955 1
1 34 . 6 1 1 A 5 5 GLY N N 5 111.196 110.766 0.430 1
1 35 . 6 1 1 A 6 6 ALA H H 6 7.941 8.678 -0.737 1
1 36 . 6 1 1 A 6 6 ALA HA H 6 4.206 4.613 -0.407 1
1 40 . 6 1 1 A 6 6 ALA CA C 6 52.988 51.348 1.640 1
1 41 . 6 1 1 A 6 6 ALA CB C 6 19.429 22.898 -3.469 1
1 42 . 6 1 1 A 6 6 ALA N N 6 123.277 126.047 -2.770 1
1 43 . 6 1 1 A 7 7 TYR H H 7 8.351 7.776 0.575 1
1 44 . 6 1 1 A 7 7 TYR HA H 7 4.509 4.622 -0.113 1
1 51 . 6 1 1 A 7 7 TYR CA C 7 57.528 57.413 0.115 1
1 52 . 6 1 1 A 7 7 TYR CB C 7 39.356 39.007 0.349 1
1 55 . 6 1 1 A 7 7 TYR N N 7 114.900 116.269 -1.369 1
1 56 . 6 1 1 A 8 8 THR H H 8 7.735 7.230 0.505 1
1 57 . 6 1 1 A 8 8 THR HA H 8 4.922 4.523 0.399 1
1 62 . 6 1 1 A 8 8 THR CA C 8 60.827 63.964 -3.137 1
1 63 . 6 1 1 A 8 8 THR CB C 8 70.109 69.254 0.855 1
1 65 . 6 1 1 A 8 8 THR N N 8 110.856 116.445 -5.589 1
1 66 . 6 1 1 A 9 9 PHE H H 9 8.816 9.565 -0.749 1
1 67 . 6 1 1 A 9 9 PHE HA H 9 3.825 4.209 -0.384 1
1 75 . 6 1 1 A 9 9 PHE CA C 9 62.935 62.495 0.440 1
1 76 . 6 1 1 A 9 9 PHE CB C 9 39.373 39.762 -0.389 1
1 80 . 6 1 1 A 9 9 PHE N N 9 121.282 125.339 -4.057 1
1 81 . 6 1 1 A 10 10 GLU H H 10 9.741 8.410 1.331 1
1 82 . 6 1 1 A 10 10 GLU HA H 10 3.295 4.010 -0.715 1
1 87 . 6 1 1 A 10 10 GLU CA C 10 59.586 59.580 0.006 1
1 88 . 6 1 1 A 10 10 GLU CB C 10 28.453 29.342 -0.889 1
1 90 . 6 1 1 A 10 10 GLU N N 10 117.454 117.466 -0.012 1
1 91 . 6 1 1 A 11 11 THR H H 11 7.542 7.624 -0.082 1
1 92 . 6 1 1 A 11 11 THR HA H 11 3.667 3.974 -0.307 1
1 97 . 6 1 1 A 11 11 THR CA C 11 66.550 65.438 1.112 1
1 98 . 6 1 1 A 11 11 THR CB C 11 66.557 68.586 -2.029 1
1 100 . 6 1 1 A 11 11 THR N N 11 115.970 115.310 0.660 1
1 101 . 6 1 1 A 12 12 ILE H H 12 7.724 8.130 -0.406 1
1 102 . 6 1 1 A 12 12 ILE HA H 12 3.561 3.660 -0.099 1
1 112 . 6 1 1 A 12 12 ILE CA C 12 63.395 65.141 -1.746 1
1 113 . 6 1 1 A 12 12 ILE CB C 12 36.233 37.748 -1.515 1
1 117 . 6 1 1 A 12 12 ILE N N 12 122.235 121.601 0.634 1
1 118 . 6 1 1 A 13 13 ALA H H 13 9.099 7.916 1.183 1
1 119 . 6 1 1 A 13 13 ALA HA H 13 3.975 3.962 0.013 1
1 123 . 6 1 1 A 13 13 ALA CA C 13 55.666 55.033 0.633 1
1 124 . 6 1 1 A 13 13 ALA CB C 13 20.126 18.235 1.891 1
1 125 . 6 1 1 A 13 13 ALA N N 13 122.259 121.817 0.442 1
1 126 . 6 1 1 A 14 14 ARG H H 14 8.600 7.998 0.602 1
1 127 . 6 1 1 A 14 14 ARG HA H 14 4.097 3.866 0.231 1
1 134 . 6 1 1 A 14 14 ARG CA C 14 60.889 59.573 1.316 1
1 135 . 6 1 1 A 14 14 ARG CB C 14 29.000 29.867 -0.867 1
1 138 . 6 1 1 A 14 14 ARG N N 14 116.993 117.917 -0.924 1
1 139 . 6 1 1 A 15 15 GLU H H 15 7.924 7.710 0.214 1
1 140 . 6 1 1 A 15 15 GLU HA H 15 4.085 3.911 0.174 1
1 145 . 6 1 1 A 15 15 GLU CA C 15 59.312 59.350 -0.038 1
1 146 . 6 1 1 A 15 15 GLU CB C 15 29.866 29.501 0.365 1
1 148 . 6 1 1 A 15 15 GLU N N 15 122.758 118.201 4.557 1
1 149 . 6 1 1 A 16 16 TRP H H 16 8.864 7.819 1.045 1
1 150 . 6 1 1 A 16 16 TRP HA H 16 4.740 4.327 0.413 1
1 158 . 6 1 1 A 16 16 TRP CA C 16 60.839 59.763 1.076 1
1 159 . 6 1 1 A 16 16 TRP CB C 16 26.693 28.509 -1.816 1
1 163 . 6 1 1 A 16 16 TRP N N 16 122.323 120.043 2.280 1
1 165 . 6 1 1 A 17 17 HIS H H 17 8.803 6.775 2.028 1
1 166 . 6 1 1 A 17 17 HIS HA H 17 3.076 3.890 -0.814 1
1 170 . 6 1 1 A 17 17 HIS CA C 17 60.683 59.084 1.599 1
1 171 . 6 1 1 A 17 17 HIS CB C 17 30.772 29.195 1.577 1
1 173 . 6 1 1 A 17 17 HIS N N 17 121.293 120.268 1.025 1
1 174 . 6 1 1 A 18 18 GLU H H 18 7.897 8.303 -0.406 1
1 175 . 6 1 1 A 18 18 GLU HA H 18 3.837 3.838 -0.001 1
1 180 . 6 1 1 A 18 18 GLU CA C 18 57.506 59.225 -1.719 1
1 181 . 6 1 1 A 18 18 GLU CB C 18 29.421 29.297 0.124 1
1 183 . 6 1 1 A 18 18 GLU N N 18 118.162 118.625 -0.463 1
1 184 . 6 1 1 A 19 19 SER H H 19 7.461 7.524 -0.063 1
1 185 . 6 1 1 A 19 19 SER HA H 19 4.150 4.158 -0.008 1
1 188 . 6 1 1 A 19 19 SER CA C 19 60.000 61.114 -1.114 1
1 189 . 6 1 1 A 19 19 SER CB C 19 63.329 63.345 -0.016 1
1 190 . 6 1 1 A 19 19 SER N N 19 112.802 114.655 -1.853 1
1 191 . 6 1 1 A 20 20 ASN H H 20 6.638 7.951 -1.313 1
1 192 . 6 1 1 A 20 20 ASN HA H 20 4.226 4.881 -0.655 1
1 195 . 6 1 1 A 20 20 ASN CA C 20 53.211 51.725 1.486 1
1 196 . 6 1 1 A 20 20 ASN CB C 20 37.021 38.610 -1.589 1
1 197 . 6 1 1 A 20 20 ASN N N 20 121.098 114.747 6.351 1
1 198 . 6 1 1 A 21 21 LYS H H 21 8.010 8.711 -0.701 1
1 199 . 6 1 1 A 21 21 LYS HA H 21 4.077 4.454 -0.377 1
1 208 . 6 1 1 A 21 21 LYS CA C 21 56.558 55.428 1.130 1
1 209 . 6 1 1 A 21 21 LYS CB C 21 32.435 33.336 -0.901 1
1 213 . 6 1 1 A 21 21 LYS N N 21 122.666 125.588 -2.922 1
1 214 . 6 1 1 A 22 22 ARG H H 22 8.007 8.438 -0.431 1
1 215 . 6 1 1 A 22 22 ARG HA H 22 4.257 4.256 0.001 1
1 222 . 6 1 1 A 22 22 ARG CA C 22 56.480 54.013 2.467 1
1 223 . 6 1 1 A 22 22 ARG CB C 22 30.000 33.682 -3.682 1
1 226 . 6 1 1 A 22 22 ARG N N 22 117.459 124.963 -7.504 1
1 227 . 6 1 1 A 23 23 TRP H H 23 7.211 8.340 -1.129 1
1 228 . 6 1 1 A 23 23 TRP HA H 23 4.938 4.784 0.154 1
1 237 . 6 1 1 A 23 23 TRP CA C 23 55.206 57.786 -2.580 1
1 238 . 6 1 1 A 23 23 TRP CB C 23 30.772 30.422 0.350 1
1 244 . 6 1 1 A 23 23 TRP N N 23 118.844 126.694 -7.850 1
1 246 . 6 1 1 A 24 24 SER H H 24 8.764 8.907 -0.143 1
1 247 . 6 1 1 A 24 24 SER HA H 24 4.520 4.263 0.257 1
1 250 . 6 1 1 A 24 24 SER CA C 24 57.647 58.936 -1.289 1
1 251 . 6 1 1 A 24 24 SER CB C 24 64.419 61.680 2.739 1
1 252 . 6 1 1 A 24 24 SER N N 24 117.454 112.986 4.468 1
1 253 . 6 1 1 A 25 25 GLU H H 25 8.976 8.233 0.743 1
1 254 . 6 1 1 A 25 25 GLU HA H 25 4.076 4.155 -0.079 1
1 259 . 6 1 1 A 25 25 GLU CA C 25 59.360 58.561 0.799 1
1 260 . 6 1 1 A 25 25 GLU CB C 25 28.960 28.568 0.392 1
1 262 . 6 1 1 A 25 25 GLU N N 25 122.323 119.431 2.892 1
1 263 . 6 1 1 A 26 26 ASP H H 26 8.608 8.310 0.298 1
1 264 . 6 1 1 A 26 26 ASP HA H 26 4.400 4.274 0.126 1
1 267 . 6 1 1 A 26 26 ASP CA C 26 56.327 57.418 -1.091 1
1 268 . 6 1 1 A 26 26 ASP CB C 26 40.700 40.653 0.047 1
1 269 . 6 1 1 A 26 26 ASP N N 26 118.165 120.192 -2.027 1
1 270 . 6 1 1 A 27 27 HIS H H 27 7.891 8.070 -0.179 1
1 271 . 6 1 1 A 27 27 HIS HA H 27 4.247 4.338 -0.091 1
1 275 . 6 1 1 A 27 27 HIS CA C 27 58.271 59.454 -1.183 1
1 276 . 6 1 1 A 27 27 HIS CB C 27 30.483 29.472 1.011 1
1 278 . 6 1 1 A 27 27 HIS N N 27 120.183 118.747 1.436 1
1 279 . 6 1 1 A 28 28 ARG H H 28 8.676 8.682 -0.006 1
1 280 . 6 1 1 A 28 28 ARG HA H 28 3.720 3.956 -0.236 1
1 287 . 6 1 1 A 28 28 ARG CA C 28 59.444 59.642 -0.198 1
1 288 . 6 1 1 A 28 28 ARG CB C 28 30.315 30.227 0.088 1
1 291 . 6 1 1 A 28 28 ARG N N 28 118.156 121.295 -3.139 1
1 292 . 6 1 1 A 29 29 SER H H 29 8.359 8.073 0.286 1
1 293 . 6 1 1 A 29 29 SER HA H 29 4.295 4.090 0.205 1
1 296 . 6 1 1 A 29 29 SER CA C 29 60.916 61.873 -0.957 1
1 297 . 6 1 1 A 29 29 SER CB C 29 62.629 62.803 -0.174 1
1 298 . 6 1 1 A 29 29 SER N N 29 115.374 117.233 -1.859 1
1 299 . 6 1 1 A 30 30 ARG H H 30 7.860 8.058 -0.198 1
1 300 . 6 1 1 A 30 30 ARG HA H 30 3.850 4.209 -0.359 1
1 307 . 6 1 1 A 30 30 ARG CA C 30 59.162 58.636 0.526 1
1 308 . 6 1 1 A 30 30 ARG CB C 30 30.171 29.939 0.232 1
1 311 . 6 1 1 A 30 30 ARG N N 30 124.066 121.323 2.743 1
1 312 . 6 1 1 A 31 31 VAL H H 31 7.928 8.153 -0.225 1
1 313 . 6 1 1 A 31 31 VAL HA H 31 4.728 3.706 1.022 1
1 321 . 6 1 1 A 31 31 VAL CA C 31 66.054 66.343 -0.289 1
1 322 . 6 1 1 A 31 31 VAL CB C 31 31.961 31.483 0.478 1
1 325 . 6 1 1 A 31 31 VAL N N 31 116.760 120.361 -3.601 1
1 326 . 6 1 1 A 32 32 LEU H H 32 7.314 8.548 -1.234 1
1 327 . 6 1 1 A 32 32 LEU HA H 32 3.867 4.022 -0.155 1
1 337 . 6 1 1 A 32 32 LEU CA C 32 57.406 58.638 -1.232 1
1 338 . 6 1 1 A 32 32 LEU CB C 32 40.912 41.550 -0.638 1
1 342 . 6 1 1 A 32 32 LEU N N 32 117.541 120.701 -3.160 1
1 343 . 6 1 1 A 33 33 ARG H H 33 7.914 8.288 -0.374 1
1 344 . 6 1 1 A 33 33 ARG HA H 33 4.070 4.018 0.052 1
1 351 . 6 1 1 A 33 33 ARG CA C 33 58.815 59.759 -0.944 1
1 352 . 6 1 1 A 33 33 ARG CB C 33 29.393 29.689 -0.296 1
1 355 . 6 1 1 A 33 33 ARG N N 33 118.510 119.160 -0.650 1
1 356 . 6 1 1 A 34 34 TYR H H 34 8.211 8.001 0.210 1
1 357 . 6 1 1 A 34 34 TYR HA H 34 4.533 4.202 0.331 1
1 364 . 6 1 1 A 34 34 TYR CA C 34 59.593 61.170 -1.577 1
1 365 . 6 1 1 A 34 34 TYR CB C 34 37.021 38.653 -1.632 1
1 368 . 6 1 1 A 34 34 TYR N N 34 116.416 122.765 -6.349 1
1 369 . 6 1 1 A 35 35 LEU H H 35 7.904 8.690 -0.786 1
1 370 . 6 1 1 A 35 35 LEU HA H 35 3.670 4.062 -0.392 1
1 380 . 6 1 1 A 35 35 LEU CA C 35 57.967 58.262 -0.295 1
1 381 . 6 1 1 A 35 35 LEU CB C 35 40.740 41.784 -1.044 1
1 385 . 6 1 1 A 35 35 LEU N N 35 118.885 121.174 -2.289 1
1 386 . 6 1 1 A 36 36 GLU H H 36 8.662 8.635 0.027 1
1 387 . 6 1 1 A 36 36 GLU HA H 36 3.993 4.241 -0.248 1
1 392 . 6 1 1 A 36 36 GLU CA C 36 59.749 58.751 0.998 1
1 393 . 6 1 1 A 36 36 GLU CB C 36 29.887 28.473 1.414 1
1 395 . 6 1 1 A 36 36 GLU N N 36 120.936 117.676 3.260 1
1 396 . 6 1 1 A 37 37 LEU H H 37 8.195 7.715 0.480 1
1 397 . 6 1 1 A 37 37 LEU HA H 37 3.979 4.206 -0.227 1
1 407 . 6 1 1 A 37 37 LEU CA C 37 56.947 56.806 0.141 1
1 408 . 6 1 1 A 37 37 LEU CB C 37 42.936 42.534 0.402 1
1 412 . 6 1 1 A 37 37 LEU N N 37 116.413 121.296 -4.883 1
1 413 . 6 1 1 A 38 38 TYR H H 38 7.663 8.057 -0.394 1
1 414 . 6 1 1 A 38 38 TYR HA H 38 4.951 4.134 0.817 1
1 421 . 6 1 1 A 38 38 TYR CA C 38 58.581 60.583 -2.002 1
1 422 . 6 1 1 A 38 38 TYR CB C 38 41.068 38.965 2.103 1
1 425 . 6 1 1 A 38 38 TYR N N 38 110.509 119.906 -9.397 1
1 426 . 6 1 1 A 39 39 ILE H H 39 7.833 7.815 0.018 1
1 427 . 6 1 1 A 39 39 ILE HA H 39 4.642 3.794 0.848 1
1 437 . 6 1 1 A 39 39 ILE CA C 39 60.000 62.582 -2.582 1
1 438 . 6 1 1 A 39 39 ILE CB C 39 37.111 39.050 -1.939 1
1 442 . 6 1 1 A 39 39 ILE N N 39 116.068 118.361 -2.293 1
1 443 . 6 1 1 A 40 40 PHE H H 40 9.117 7.838 1.279 1
1 444 . 6 1 1 A 40 40 PHE HA H 40 4.634 5.083 -0.449 1
1 452 . 6 1 1 A 40 40 PHE CA C 40 57.492 54.804 2.688 1
1 453 . 6 1 1 A 40 40 PHE CB C 40 34.374 37.996 -3.622 1
1 457 . 6 1 1 A 40 40 PHE N N 40 121.241 119.280 1.961 1
1 458 . 6 1 1 A 41 41 PRO HA H 41 4.388 4.541 -0.153 1
1 465 . 6 1 1 A 41 41 PRO CA C 41 66.132 66.018 0.114 1
1 466 . 6 1 1 A 41 41 PRO CB C 41 31.261 31.367 -0.106 1
1 469 . 6 1 1 A 42 42 HIS H H 42 7.153 8.195 -1.042 1
1 470 . 6 1 1 A 42 42 HIS HA H 42 4.678 4.693 -0.015 1
1 474 . 6 1 1 A 42 42 HIS CA C 42 57.336 55.988 1.348 1
1 475 . 6 1 1 A 42 42 HIS CB C 42 32.895 30.453 2.442 1
1 477 . 6 1 1 A 42 42 HIS N N 42 111.205 114.666 -3.461 1
1 478 . 6 1 1 A 43 43 ILE H H 43 7.327 7.601 -0.274 1
1 479 . 6 1 1 A 43 43 ILE HA H 43 4.938 4.460 0.478 1
1 489 . 6 1 1 A 43 43 ILE CA C 43 60.527 60.269 0.258 1
1 490 . 6 1 1 A 43 43 ILE CB C 43 40.445 38.233 2.212 1
1 494 . 6 1 1 A 43 43 ILE N N 43 105.996 111.617 -5.621 1
1 495 . 6 1 1 A 44 44 GLY H H 44 8.958 8.486 0.472 1
1 496 . 6 1 1 A 44 44 GLY HA2 H 44 4.340 3.813 0.527 1
1 497 . 6 1 1 A 44 44 GLY HA3 H 44 3.855 3.896 -0.041 1
1 498 . 6 1 1 A 44 44 GLY CA C 44 48.385 46.421 1.964 1
1 499 . 6 1 1 A 44 44 GLY N N 44 110.704 112.976 -2.272 1
1 500 . 6 1 1 A 45 45 SER H H 45 8.294 7.859 0.435 1
1 501 . 6 1 1 A 45 45 SER HA H 45 4.517 4.418 0.099 1
1 504 . 6 1 1 A 45 45 SER CA C 45 58.270 58.796 -0.526 1
1 505 . 6 1 1 A 45 45 SER CB C 45 63.563 63.707 -0.144 1
1 506 . 6 1 1 A 45 45 SER N N 45 110.505 112.314 -1.809 1
1 507 . 6 1 1 A 46 46 SER H H 46 7.689 7.543 0.146 1
1 508 . 6 1 1 A 46 46 SER HA H 46 4.322 4.960 -0.638 1
1 511 . 6 1 1 A 46 46 SER CA C 46 59.282 57.749 1.533 1
1 512 . 6 1 1 A 46 46 SER CB C 46 63.719 63.398 0.321 1
1 513 . 6 1 1 A 46 46 SER N N 46 119.190 118.463 0.727 1
1 514 . 6 1 1 A 47 47 ASP H H 47 8.646 8.895 -0.249 1
1 515 . 6 1 1 A 47 47 ASP HA H 47 4.446 4.830 -0.384 1
1 518 . 6 1 1 A 47 47 ASP CA C 47 54.145 53.966 0.179 1
1 519 . 6 1 1 A 47 47 ASP CB C 47 41.652 42.135 -0.483 1
1 520 . 6 1 1 A 47 47 ASP N N 47 124.868 126.742 -1.874 1
1 521 . 6 1 1 A 48 48 ILE H H 48 9.406 9.001 0.405 1
1 522 . 6 1 1 A 48 48 ILE HA H 48 4.091 4.307 -0.216 1
1 532 . 6 1 1 A 48 48 ILE CA C 48 63.844 63.333 0.511 1
1 533 . 6 1 1 A 48 48 ILE CB C 48 39.845 38.402 1.443 1
1 537 . 6 1 1 A 48 48 ILE N N 48 129.573 125.877 3.696 1
1 538 . 6 1 1 A 49 49 ARG H H 49 9.004 7.937 1.067 1
1 539 . 6 1 1 A 49 49 ARG HA H 49 4.166 4.241 -0.075 1
1 546 . 6 1 1 A 49 49 ARG CA C 49 57.534 59.554 -2.020 1
1 547 . 6 1 1 A 49 49 ARG CB C 49 29.870 30.003 -0.133 1
1 548 . 6 1 1 A 49 49 ARG N N 49 119.541 122.847 -3.306 1
1 549 . 6 1 1 A 50 50 GLN H H 50 7.868 7.495 0.373 1
1 550 . 6 1 1 A 50 50 GLN HA H 50 4.498 4.679 -0.181 1
1 557 . 6 1 1 A 50 50 GLN CA C 50 54.633 54.764 -0.131 1
1 558 . 6 1 1 A 50 50 GLN CB C 50 29.548 28.774 0.774 1
1 560 . 6 1 1 A 50 50 GLN N N 50 114.374 118.187 -3.813 1
1 562 . 6 1 1 A 51 51 LEU H H 51 6.799 8.931 -2.132 1
1 563 . 6 1 1 A 51 51 LEU HA H 51 4.516 4.923 -0.407 1
1 573 . 6 1 1 A 51 51 LEU CA C 51 54.519 54.633 -0.114 1
1 574 . 6 1 1 A 51 51 LEU CB C 51 43.014 44.100 -1.086 1
1 578 . 6 1 1 A 51 51 LEU N N 51 119.548 128.495 -8.947 1
1 579 . 6 1 1 A 52 52 LYS H H 52 10.373 8.504 1.869 1
1 580 . 6 1 1 A 52 52 LYS HA H 52 4.725 4.625 0.100 1
1 589 . 6 1 1 A 52 52 LYS CA C 52 53.806 55.080 -1.274 1
1 590 . 6 1 1 A 52 52 LYS CB C 52 34.394 33.594 0.800 1
1 594 . 6 1 1 A 52 52 LYS N N 52 125.943 126.799 -0.856 1
1 595 . 6 1 1 A 53 53 THR H H 53 8.724 8.610 0.114 1
1 596 . 6 1 1 A 53 53 THR HA H 53 4.727 4.502 0.225 1
1 601 . 6 1 1 A 53 53 THR CA C 53 57.570 61.428 -3.858 1
1 602 . 6 1 1 A 53 53 THR CB C 53 68.467 69.374 -0.907 1
1 604 . 6 1 1 A 53 53 THR N N 53 117.533 116.084 1.449 1
1 605 . 6 1 1 A 54 54 SER H H 54 8.416 8.923 -0.507 1
1 606 . 6 1 1 A 54 54 SER HA H 54 4.743 4.455 0.288 1
1 609 . 6 1 1 A 54 54 SER CA C 54 61.306 59.476 1.830 1
1 610 . 6 1 1 A 54 54 SER CB C 54 61.132 62.520 -1.388 1
1 611 . 6 1 1 A 54 54 SER N N 54 112.941 117.590 -4.649 1
1 612 . 6 1 1 A 55 55 HIS H H 55 7.077 7.976 -0.899 1
1 613 . 6 1 1 A 55 55 HIS HA H 55 4.425 4.341 0.084 1
1 617 . 6 1 1 A 55 55 HIS CA C 55 58.659 59.414 -0.755 1
1 618 . 6 1 1 A 55 55 HIS CB C 55 33.051 30.458 2.593 1
1 620 . 6 1 1 A 55 55 HIS N N 55 120.680 120.032 0.648 1
1 621 . 6 1 1 A 56 56 LEU H H 56 7.410 7.451 -0.041 1
1 622 . 6 1 1 A 56 56 LEU HA H 56 3.916 4.018 -0.102 1
1 632 . 6 1 1 A 56 56 LEU CA C 56 56.558 57.282 -0.724 1
1 633 . 6 1 1 A 56 56 LEU CB C 56 42.547 41.445 1.102 1
1 637 . 6 1 1 A 56 56 LEU N N 56 115.029 115.786 -0.757 1
1 638 . 6 1 1 A 57 57 LEU H H 57 7.906 7.920 -0.014 1
1 639 . 6 1 1 A 57 57 LEU HA H 57 4.073 4.029 0.044 1
1 649 . 6 1 1 A 57 57 LEU CA C 57 56.047 57.307 -1.260 1
1 650 . 6 1 1 A 57 57 LEU CB C 57 42.575 41.111 1.464 1
1 654 . 6 1 1 A 57 57 LEU N N 57 113.214 122.064 -8.850 1
1 655 . 6 1 1 A 58 58 ALA H H 58 7.367 8.295 -0.928 1
1 656 . 6 1 1 A 58 58 ALA HA H 58 4.176 3.967 0.209 1
1 660 . 6 1 1 A 58 58 ALA CA C 58 57.049 57.205 -0.156 1
1 661 . 6 1 1 A 58 58 ALA CB C 58 15.362 17.080 -1.718 1
1 662 . 6 1 1 A 58 58 ALA N N 58 120.662 121.303 -0.641 1
1 663 . 6 1 1 A 59 59 PRO HA H 59 4.133 4.182 -0.049 1
1 670 . 6 1 1 A 59 59 PRO CA C 59 65.120 65.261 -0.141 1
1 671 . 6 1 1 A 59 59 PRO CB C 59 31.183 30.868 0.315 1
1 674 . 6 1 1 A 60 60 ILE H H 60 6.643 7.410 -0.767 1
1 675 . 6 1 1 A 60 60 ILE HA H 60 3.383 3.778 -0.395 1
1 685 . 6 1 1 A 60 60 ILE CA C 60 64.886 63.627 1.259 1
1 686 . 6 1 1 A 60 60 ILE CB C 60 37.799 36.776 1.023 1
1 690 . 6 1 1 A 60 60 ILE N N 60 117.809 116.767 1.042 1
1 691 . 6 1 1 A 61 61 LYS H H 61 8.635 8.034 0.601 1
1 692 . 6 1 1 A 61 61 LYS HA H 61 3.992 3.958 0.034 1
1 701 . 6 1 1 A 61 61 LYS CA C 61 59.048 58.797 0.251 1
1 702 . 6 1 1 A 61 61 LYS CB C 61 31.678 31.971 -0.293 1
1 706 . 6 1 1 A 61 61 LYS N N 61 120.585 123.797 -3.212 1
1 707 . 6 1 1 A 62 62 GLU H H 62 7.664 7.416 0.248 1
1 708 . 6 1 1 A 62 62 GLU HA H 62 3.992 4.110 -0.118 1
1 713 . 6 1 1 A 62 62 GLU CA C 62 59.593 58.887 0.706 1
1 714 . 6 1 1 A 62 62 GLU CB C 62 28.975 29.602 -0.627 1
1 716 . 6 1 1 A 62 62 GLU N N 62 118.505 118.494 0.011 1
1 717 . 6 1 1 A 63 63 VAL H H 63 7.227 8.011 -0.784 1
1 718 . 6 1 1 A 63 63 VAL HA H 63 3.545 3.860 -0.315 1
1 726 . 6 1 1 A 63 63 VAL CA C 63 65.663 64.308 1.355 1
1 727 . 6 1 1 A 63 63 VAL CB C 63 31.650 31.376 0.274 1
1 730 . 6 1 1 A 63 63 VAL N N 63 119.540 119.313 0.227 1
1 731 . 6 1 1 A 64 64 ASP H H 64 8.281 8.193 0.088 1
1 732 . 6 1 1 A 64 64 ASP HA H 64 3.984 4.332 -0.348 1
1 735 . 6 1 1 A 64 64 ASP CA C 64 58.860 57.513 1.347 1
1 736 . 6 1 1 A 64 64 ASP CB C 64 42.561 41.734 0.827 1
1 737 . 6 1 1 A 64 64 ASP N N 64 122.316 122.026 0.290 1
1 738 . 6 1 1 A 65 65 THR H H 65 8.818 8.068 0.750 1
1 739 . 6 1 1 A 65 65 THR HA H 65 4.310 4.034 0.276 1
1 744 . 6 1 1 A 65 65 THR CA C 65 68.825 65.292 3.533 1
1 745 . 6 1 1 A 65 65 THR CB C 65 65.195 68.444 -3.249 1
1 747 . 6 1 1 A 65 65 THR N N 65 112.808 115.477 -2.669 1
1 748 . 6 1 1 A 66 66 SER H H 66 7.596 7.631 -0.035 1
1 749 . 6 1 1 A 66 66 SER HA H 66 4.469 4.486 -0.017 1
1 752 . 6 1 1 A 66 66 SER CA C 66 59.827 58.574 1.253 1
1 753 . 6 1 1 A 66 66 SER CB C 66 63.641 63.580 0.061 1
1 754 . 6 1 1 A 66 66 SER N N 66 116.412 113.896 2.516 1
1 755 . 6 1 1 A 67 67 GLY H H 67 7.781 7.699 0.082 1
1 756 . 6 1 1 A 67 67 GLY HA2 H 67 4.467 4.042 0.425 1
1 757 . 6 1 1 A 67 67 GLY HA3 H 67 3.355 4.048 -0.693 1
1 758 . 6 1 1 A 67 67 GLY CA C 67 44.337 45.410 -1.073 1
1 759 . 6 1 1 A 67 67 GLY N N 67 108.565 108.655 -0.090 1
1 760 . 6 1 1 A 68 68 LYS H H 68 6.932 7.708 -0.776 1
1 761 . 6 1 1 A 68 68 LYS HA H 68 4.706 4.594 0.112 1
1 770 . 6 1 1 A 68 68 LYS CA C 68 54.145 55.931 -1.786 1
1 771 . 6 1 1 A 68 68 LYS CB C 68 30.325 32.576 -2.251 1
1 775 . 6 1 1 A 68 68 LYS N N 68 121.979 120.541 1.438 1
1 776 . 6 1 1 A 69 69 HIS H H 69 7.630 8.422 -0.792 1
1 777 . 6 1 1 A 69 69 HIS HA H 69 4.544 4.206 0.338 1
1 780 . 6 1 1 A 69 69 HIS CA C 69 58.270 59.158 -0.888 1
1 781 . 6 1 1 A 69 69 HIS CB C 69 28.303 28.792 -0.489 1
1 782 . 6 1 1 A 69 69 HIS N N 69 119.617 118.871 0.746 1
1 783 . 6 1 1 A 70 70 ASP H H 70 8.779 8.017 0.762 1
1 784 . 6 1 1 A 70 70 ASP HA H 70 4.330 4.058 0.272 1
1 787 . 6 1 1 A 70 70 ASP CA C 70 56.869 56.693 0.176 1
1 788 . 6 1 1 A 70 70 ASP CB C 70 39.433 39.426 0.007 1
1 789 . 6 1 1 A 70 70 ASP N N 70 118.586 119.917 -1.331 1
1 790 . 6 1 1 A 71 71 VAL H H 71 7.575 7.816 -0.241 1
1 791 . 6 1 1 A 71 71 VAL HA H 71 3.232 3.528 -0.296 1
1 799 . 6 1 1 A 71 71 VAL CA C 71 66.131 65.971 0.160 1
1 800 . 6 1 1 A 71 71 VAL CB C 71 31.105 31.471 -0.366 1
1 803 . 6 1 1 A 71 71 VAL N N 71 121.186 121.061 0.125 1
1 804 . 6 1 1 A 72 72 ALA H H 72 8.022 8.548 -0.526 1
1 805 . 6 1 1 A 72 72 ALA HA H 72 3.682 3.904 -0.222 1
1 809 . 6 1 1 A 72 72 ALA CA C 72 55.702 55.790 -0.088 1
1 810 . 6 1 1 A 72 72 ALA CB C 72 18.028 18.526 -0.498 1
1 811 . 6 1 1 A 72 72 ALA N N 72 120.675 121.989 -1.314 1
1 812 . 6 1 1 A 73 73 GLN H H 73 7.793 8.060 -0.267 1
1 813 . 6 1 1 A 73 73 GLN HA H 73 3.971 3.918 0.053 1
1 820 . 6 1 1 A 73 73 GLN CA C 73 58.872 59.090 -0.218 1
1 821 . 6 1 1 A 73 73 GLN CB C 73 28.073 28.465 -0.392 1
1 823 . 6 1 1 A 73 73 GLN N N 73 115.949 117.402 -1.453 1
1 825 . 6 1 1 A 74 74 ARG H H 74 7.795 7.840 -0.045 1
1 826 . 6 1 1 A 74 74 ARG HA H 74 4.108 4.089 0.019 1
1 833 . 6 1 1 A 74 74 ARG CA C 74 59.282 59.167 0.115 1
1 834 . 6 1 1 A 74 74 ARG CB C 74 29.857 29.993 -0.136 1
1 837 . 6 1 1 A 74 74 ARG N N 74 119.896 119.857 0.039 1
1 838 . 6 1 1 A 75 75 LEU H H 75 8.850 8.156 0.694 1
1 839 . 6 1 1 A 75 75 LEU HA H 75 3.935 3.975 -0.040 1
1 849 . 6 1 1 A 75 75 LEU CA C 75 57.803 57.992 -0.189 1
1 850 . 6 1 1 A 75 75 LEU CB C 75 42.858 41.126 1.732 1
1 854 . 6 1 1 A 75 75 LEU N N 75 118.044 120.395 -2.351 1
1 855 . 6 1 1 A 76 76 GLN H H 76 8.412 8.115 0.297 1
1 856 . 6 1 1 A 76 76 GLN HA H 76 3.790 3.937 -0.147 1
1 861 . 6 1 1 A 76 76 GLN CA C 76 60.294 59.182 1.112 1
1 862 . 6 1 1 A 76 76 GLN CB C 76 27.995 28.532 -0.537 1
1 864 . 6 1 1 A 76 76 GLN N N 76 119.109 118.393 0.716 1
1 865 . 6 1 1 A 77 77 GLN H H 77 7.788 8.147 -0.359 1
1 866 . 6 1 1 A 77 77 GLN HA H 77 4.090 4.220 -0.130 1
1 873 . 6 1 1 A 77 77 GLN CA C 77 59.318 58.195 1.123 1
1 874 . 6 1 1 A 77 77 GLN CB C 77 28.054 28.537 -0.483 1
1 876 . 6 1 1 A 77 77 GLN N N 77 119.616 118.899 0.717 1
1 878 . 6 1 1 A 78 78 ARG H H 78 8.552 7.554 0.998 1
1 879 . 6 1 1 A 78 78 ARG HA H 78 4.171 4.051 0.120 1
1 886 . 6 1 1 A 78 78 ARG CA C 78 57.946 59.059 -1.113 1
1 887 . 6 1 1 A 78 78 ARG CB C 78 28.958 30.672 -1.714 1
1 890 . 6 1 1 A 78 78 ARG N N 78 118.044 119.992 -1.948 1
1 891 . 6 1 1 A 79 79 VAL H H 79 8.958 8.037 0.921 1
1 892 . 6 1 1 A 79 79 VAL HA H 79 3.603 3.842 -0.239 1
1 900 . 6 1 1 A 79 79 VAL CA C 79 67.284 66.364 0.920 1
1 901 . 6 1 1 A 79 79 VAL CB C 79 31.228 31.684 -0.456 1
1 904 . 6 1 1 A 79 79 VAL N N 79 116.998 119.961 -2.963 1
1 905 . 6 1 1 A 80 80 THR H H 80 7.938 8.445 -0.507 1
1 906 . 6 1 1 A 80 80 THR HA H 80 4.301 4.120 0.181 1
1 911 . 6 1 1 A 80 80 THR CA C 80 67.976 65.513 2.463 1
1 912 . 6 1 1 A 80 80 THR CB C 80 67.466 67.987 -0.521 1
1 914 . 6 1 1 A 80 80 THR N N 80 115.701 112.276 3.425 1
1 915 . 6 1 1 A 81 81 ALA H H 81 7.656 7.778 -0.122 1
1 916 . 6 1 1 A 81 81 ALA HA H 81 4.070 3.958 0.112 1
1 920 . 6 1 1 A 81 81 ALA CA C 81 55.232 54.842 0.390 1
1 921 . 6 1 1 A 81 81 ALA CB C 81 18.087 17.799 0.288 1
1 922 . 6 1 1 A 81 81 ALA N N 81 124.407 123.925 0.482 1
1 923 . 6 1 1 A 82 82 ILE H H 82 7.901 7.832 0.069 1
1 924 . 6 1 1 A 82 82 ILE HA H 82 2.733 3.577 -0.844 1
1 934 . 6 1 1 A 82 82 ILE CA C 82 65.450 64.989 0.461 1
1 935 . 6 1 1 A 82 82 ILE CB C 82 37.569 37.690 -0.121 1
1 939 . 6 1 1 A 82 82 ILE N N 82 121.196 119.390 1.806 1
1 940 . 6 1 1 A 83 83 MET H H 83 8.258 8.351 -0.093 1
1 941 . 6 1 1 A 83 83 MET HA H 83 4.556 4.116 0.440 1
1 949 . 6 1 1 A 83 83 MET CA C 83 56.403 58.760 -2.357 1
1 950 . 6 1 1 A 83 83 MET CB C 83 29.782 32.254 -2.472 1
1 953 . 6 1 1 A 83 83 MET N N 83 120.154 118.362 1.792 1
1 954 . 6 1 1 A 84 84 ARG H H 84 7.915 7.937 -0.022 1
1 955 . 6 1 1 A 84 84 ARG HA H 84 4.039 4.091 -0.052 1
1 962 . 6 1 1 A 84 84 ARG CA C 84 59.749 59.318 0.431 1
1 963 . 6 1 1 A 84 84 ARG CB C 84 30.000 29.634 0.366 1
1 966 . 6 1 1 A 84 84 ARG N N 84 116.534 118.708 -2.174 1
1 967 . 6 1 1 A 85 85 TYR H H 85 8.221 8.296 -0.075 1
1 968 . 6 1 1 A 85 85 TYR HA H 85 4.255 4.186 0.069 1
1 975 . 6 1 1 A 85 85 TYR CA C 85 61.382 61.676 -0.294 1
1 976 . 6 1 1 A 85 85 TYR CB C 85 38.499 38.350 0.149 1
1 979 . 6 1 1 A 85 85 TYR N N 85 122.313 122.462 -0.149 1
1 980 . 6 1 1 A 86 86 ALA H H 86 8.804 8.220 0.584 1
1 981 . 6 1 1 A 86 86 ALA HA H 86 4.223 4.174 0.049 1
1 985 . 6 1 1 A 86 86 ALA CA C 86 55.043 55.139 -0.096 1
1 986 . 6 1 1 A 86 86 ALA CB C 86 18.087 18.302 -0.215 1
1 987 . 6 1 1 A 86 86 ALA N N 86 123.291 121.891 1.400 1
1 988 . 6 1 1 A 87 87 VAL H H 87 8.113 8.039 0.074 1
1 989 . 6 1 1 A 87 87 VAL HA H 87 4.170 3.372 0.798 1
1 997 . 6 1 1 A 87 87 VAL CA C 87 65.146 66.533 -1.387 1
1 998 . 6 1 1 A 87 87 VAL CB C 87 31.897 31.270 0.627 1
1 1001 . 6 1 1 A 87 87 VAL N N 87 120.144 118.227 1.917 1
1 1002 . 6 1 1 A 88 88 GLN H H 88 8.458 7.910 0.548 1
1 1003 . 6 1 1 A 88 88 GLN HA H 88 3.983 3.890 0.093 1
1 1010 . 6 1 1 A 88 88 GLN CA C 88 58.270 58.960 -0.690 1
1 1011 . 6 1 1 A 88 88 GLN CB C 88 28.075 27.885 0.190 1
1 1013 . 6 1 1 A 88 88 GLN N N 88 120.751 119.926 0.825 1
1 1015 . 6 1 1 A 89 89 ASN H H 89 7.359 7.498 -0.139 1
1 1016 . 6 1 1 A 89 89 ASN HA H 89 4.486 4.782 -0.296 1
1 1021 . 6 1 1 A 89 89 ASN CA C 89 53.444 52.894 0.550 1
1 1022 . 6 1 1 A 89 89 ASN CB C 89 38.932 38.909 0.023 1
1 1023 . 6 1 1 A 89 89 ASN N N 89 113.850 114.520 -0.670 1
1 1025 . 6 1 1 A 90 90 ASP H H 90 7.849 7.928 -0.079 1
1 1026 . 6 1 1 A 90 90 ASP HA H 90 4.387 4.211 0.176 1
1 1029 . 6 1 1 A 90 90 ASP CA C 90 55.935 54.851 1.084 1
1 1030 . 6 1 1 A 90 90 ASP CB C 90 38.811 39.162 -0.351 1
1 1031 . 6 1 1 A 90 90 ASP N N 90 113.293 118.415 -5.122 1
1 1032 . 6 1 1 A 91 91 TYR H H 91 8.489 7.797 0.692 1
1 1033 . 6 1 1 A 91 91 TYR HA H 91 4.589 4.805 -0.216 1
1 1040 . 6 1 1 A 91 91 TYR CA C 91 60.000 57.420 2.580 1
1 1041 . 6 1 1 A 91 91 TYR CB C 91 38.811 39.733 -0.922 1
1 1044 . 6 1 1 A 91 91 TYR N N 91 116.072 120.567 -4.495 1
1 1045 . 6 1 1 A 92 92 ILE H H 92 7.131 7.488 -0.357 1
1 1046 . 6 1 1 A 92 92 ILE HA H 92 4.684 4.303 0.381 1
1 1056 . 6 1 1 A 92 92 ILE CA C 92 59.126 61.391 -2.265 1
1 1057 . 6 1 1 A 92 92 ILE CB C 92 41.846 39.828 2.018 1
1 1061 . 6 1 1 A 92 92 ILE N N 92 107.409 114.824 -7.415 1
1 1062 . 6 1 1 A 93 93 ASP H H 93 8.731 7.876 0.855 1
1 1063 . 6 1 1 A 93 93 ASP HA H 93 4.707 4.375 0.332 1
1 1066 . 6 1 1 A 93 93 ASP CA C 93 54.689 55.450 -0.761 1
1 1067 . 6 1 1 A 93 93 ASP CB C 93 41.924 39.931 1.993 1
1 1068 . 6 1 1 A 93 93 ASP N N 93 118.847 122.871 -4.024 1
1 1069 . 6 1 1 A 94 94 SER H H 94 7.638 7.507 0.131 1
1 1070 . 6 1 1 A 94 94 SER HA H 94 4.491 4.982 -0.491 1
1 1073 . 6 1 1 A 94 94 SER CA C 94 57.102 57.525 -0.423 1
1 1074 . 6 1 1 A 94 94 SER CB C 94 64.186 66.361 -2.175 1
1 1075 . 6 1 1 A 94 94 SER N N 94 112.240 113.915 -1.675 1
1 1076 . 6 1 1 A 95 95 ASN H H 95 8.801 8.763 0.038 1
1 1077 . 6 1 1 A 95 95 ASN HA H 95 4.942 5.326 -0.384 1
1 1082 . 6 1 1 A 95 95 ASN CA C 95 49.941 49.741 0.200 1
1 1083 . 6 1 1 A 95 95 ASN CB C 95 39.356 39.602 -0.246 1
1 1084 . 6 1 1 A 95 95 ASN N N 95 119.551 123.202 -3.651 1
1 1086 . 6 1 1 A 96 96 PRO HA H 96 4.632 4.522 0.110 1
1 1093 . 6 1 1 A 96 96 PRO CA C 96 63.564 64.000 -0.436 1
1 1094 . 6 1 1 A 96 96 PRO CB C 96 32.058 32.561 -0.503 1
1 1097 . 6 1 1 A 97 97 ALA H H 97 8.335 7.927 0.408 1
1 1098 . 6 1 1 A 97 97 ALA HA H 97 4.436 4.512 -0.076 1
1 1102 . 6 1 1 A 97 97 ALA CA C 97 52.055 52.338 -0.283 1
1 1103 . 6 1 1 A 97 97 ALA CB C 97 18.998 19.338 -0.340 1
1 1104 . 6 1 1 A 97 97 ALA N N 97 121.226 122.195 -0.969 1
1 1105 . 6 1 1 A 98 98 SER H H 98 7.600 7.891 -0.291 1
1 1106 . 6 1 1 A 98 98 SER HA H 98 4.168 4.176 -0.008 1
1 1109 . 6 1 1 A 98 98 SER CA C 98 60.372 61.300 -0.928 1
1 1110 . 6 1 1 A 98 98 SER CB C 98 63.018 63.110 -0.092 1
1 1111 . 6 1 1 A 98 98 SER N N 98 114.935 114.180 0.755 1
1 1112 . 6 1 1 A 99 99 ASP H H 99 8.098 7.853 0.245 1
1 1113 . 6 1 1 A 99 99 ASP HA H 99 4.760 4.903 -0.143 1
1 1116 . 6 1 1 A 99 99 ASP CA C 99 54.300 52.704 1.596 1
1 1117 . 6 1 1 A 99 99 ASP CB C 99 40.835 41.591 -0.756 1
1 1118 . 6 1 1 A 99 99 ASP N N 99 119.889 119.580 0.309 1
1 1119 . 6 1 1 A 100 100 MET H H 100 7.885 7.847 0.038 1
1 1120 . 6 1 1 A 100 100 MET HA H 100 4.205 4.556 -0.351 1
1 1128 . 6 1 1 A 100 100 MET CA C 100 57.025 58.456 -1.431 1
1 1129 . 6 1 1 A 100 100 MET CB C 100 33.038 32.485 0.553 1
1 1132 . 6 1 1 A 100 100 MET N N 100 119.185 120.658 -1.473 1
1 1133 . 6 1 1 A 101 101 ALA H H 101 8.041 7.788 0.253 1
1 1134 . 6 1 1 A 101 101 ALA HA H 101 4.137 4.545 -0.408 1
1 1138 . 6 1 1 A 101 101 ALA CA C 101 53.655 50.758 2.897 1
1 1139 . 6 1 1 A 101 101 ALA CB C 101 18.537 19.339 -0.802 1
1 1140 . 6 1 1 A 101 101 ALA N N 101 122.264 120.557 1.707 1
1 1141 . 6 1 1 A 102 102 GLY H H 102 8.293 8.788 -0.495 1
1 1142 . 6 1 1 A 102 102 GLY HA2 H 102 3.910 4.089 -0.179 1
1 1143 . 6 1 1 A 102 102 GLY HA3 H 102 3.913 4.091 -0.178 1
1 1144 . 6 1 1 A 102 102 GLY CA C 102 45.664 44.327 1.337 1
1 1145 . 6 1 1 A 102 102 GLY N N 102 107.557 110.385 -2.828 1
1 1146 . 6 1 1 A 103 103 ALA H H 103 7.955 8.289 -0.334 1
1 1147 . 6 1 1 A 103 103 ALA HA H 103 4.235 4.270 -0.035 1
1 1151 . 6 1 1 A 103 103 ALA CA C 103 53.423 51.480 1.943 1
1 1152 . 6 1 1 A 103 103 ALA CB C 103 19.219 18.142 1.077 1
1 1153 . 6 1 1 A 103 103 ALA N N 103 123.285 121.237 2.048 1
1 1154 . 6 1 1 A 104 104 LEU H H 104 8.145 7.965 0.180 1
1 1155 . 6 1 1 A 104 104 LEU HA H 104 4.301 4.597 -0.296 1
1 1165 . 6 1 1 A 104 104 LEU CA C 104 55.312 55.036 0.276 1
1 1166 . 6 1 1 A 104 104 LEU CB C 104 41.644 42.543 -0.899 1
1 1170 . 6 1 1 A 104 104 LEU N N 104 118.570 120.835 -2.265 1
1 1171 . 6 1 1 A 105 105 SER H H 105 8.040 7.823 0.217 1
1 1172 . 6 1 1 A 105 105 SER HA H 105 4.390 4.500 -0.110 1
1 1175 . 6 1 1 A 105 105 SER CA C 105 58.893 58.776 0.117 1
1 1176 . 6 1 1 A 105 105 SER CB C 105 63.424 63.951 -0.527 1
1 1177 . 6 1 1 A 105 105 SER N N 105 115.022 114.991 0.031 1
1 1178 . 6 1 1 A 106 106 THR H H 106 8.032 7.772 0.260 1
1 1179 . 6 1 1 A 106 106 THR HA H 106 4.293 4.574 -0.281 1
1 1184 . 6 1 1 A 106 106 THR CA C 106 62.037 60.395 1.642 1
1 1185 . 6 1 1 A 106 106 THR CB C 106 69.401 70.445 -1.044 1
1 1187 . 6 1 1 A 106 106 THR N N 106 115.371 112.000 3.371 1
1 1188 . 6 1 1 A 107 107 THR H H 107 7.940 8.372 -0.432 1
1 1189 . 6 1 1 A 107 107 THR HA H 107 4.296 4.500 -0.204 1
1 1194 . 6 1 1 A 107 107 THR CA C 107 61.539 63.728 -2.189 1
1 1195 . 6 1 1 A 107 107 THR CB C 107 61.610 70.141 -8.531 1
1 1197 . 6 1 1 A 107 107 THR N N 107 122.759 113.651 9.108 1
1 1198 . 6 1 1 A 108 108 LYS H H 108 8.240 7.995 0.245 1
1 1199 . 6 1 1 A 108 108 LYS HA H 108 4.241 4.581 -0.340 1
1 1208 . 6 1 1 A 108 108 LYS CA C 108 56.324 54.947 1.377 1
1 1209 . 6 1 1 A 108 108 LYS CB C 108 32.817 31.800 1.017 1
1 1213 . 6 1 1 A 108 108 LYS N N 108 124.773 119.555 5.218 1
1 1214 . 6 1 1 A 109 109 ALA H H 109 8.131 8.466 -0.335 1
1 1215 . 6 1 1 A 109 109 ALA HA H 109 4.224 4.428 -0.204 1
1 1219 . 6 1 1 A 109 109 ALA CA C 109 52.432 52.169 0.263 1
1 1220 . 6 1 1 A 109 109 ALA CB C 109 19.017 19.968 -0.951 1
1 1221 . 6 1 1 A 109 109 ALA N N 109 124.331 127.012 -2.681 1
1 1222 . 6 1 1 A 110 110 ARG H H 110 8.114 7.623 0.491 1
1 1223 . 6 1 1 A 110 110 ARG HA H 110 4.191 4.340 -0.149 1
1 1230 . 6 1 1 A 110 110 ARG CA C 110 56.013 55.432 0.581 1
1 1231 . 6 1 1 A 110 110 ARG CB C 110 30.871 31.237 -0.366 1
1 1234 . 6 1 1 A 110 110 ARG N N 110 119.544 120.186 -0.642 1
1 1235 . 6 1 1 A 111 111 HIS H H 111 8.283 8.484 -0.201 1
1 1236 . 6 1 1 A 111 111 HIS HA H 111 4.604 5.612 -1.008 1
1 1240 . 6 1 1 A 111 111 HIS CA C 111 55.448 52.999 2.449 1
1 1241 . 6 1 1 A 111 111 HIS CB C 111 29.866 33.098 -3.232 1
1 1243 . 6 1 1 A 111 111 HIS N N 111 119.886 120.849 -0.963 1
1 1244 . 6 1 1 A 112 112 TYR H H 112 8.179 9.110 -0.931 1
1 1245 . 6 1 1 A 112 112 TYR HA H 112 4.766 5.018 -0.252 1
1 1252 . 6 1 1 A 112 112 TYR CA C 112 55.701 55.005 0.696 1
1 1253 . 6 1 1 A 112 112 TYR CB C 112 38.110 40.476 -2.366 1
1 1256 . 6 1 1 A 112 112 TYR N N 112 122.673 118.384 4.289 1
1 1257 . 6 1 1 A 113 113 PRO HA H 113 4.399 4.701 -0.302 1
1 1264 . 6 1 1 A 113 113 PRO CA C 113 63.097 62.326 0.771 1
1 1265 . 6 1 1 A 113 113 PRO CB C 113 31.684 33.403 -1.719 1
1 1268 . 6 1 1 A 114 114 LEU H H 114 8.225 8.636 -0.411 1
1 1269 . 6 1 1 A 114 114 LEU HA H 114 4.265 3.999 0.266 1
1 1279 . 6 1 1 A 114 114 LEU CA C 114 55.069 57.470 -2.401 1
1 1280 . 6 1 1 A 114 114 LEU CB C 114 42.104 42.261 -0.157 1
1 1284 . 6 1 1 A 114 114 LEU N N 114 121.625 121.200 0.425 1
1 1285 . 6 1 1 A 115 115 GLU H H 115 8.273 7.950 0.323 1
1 1286 . 6 1 1 A 115 115 GLU HA H 115 4.202 4.135 0.067 1
1 1291 . 6 1 1 A 115 115 GLU CA C 115 56.402 57.655 -1.253 1
1 1292 . 6 1 1 A 115 115 GLU CB C 115 30.249 27.028 3.221 1
1 5 . 7 1 1 A 2 2 GLU HA H 2 4.399 4.408 -0.009 1
1 10 . 7 1 1 A 2 2 GLU CA C 2 56.358 56.790 -0.432 1
1 11 . 7 1 1 A 2 2 GLU CB C 2 30.249 30.142 0.107 1
1 13 . 7 1 1 A 3 3 ASN H H 3 8.699 8.599 0.100 1
1 14 . 7 1 1 A 3 3 ASN HA H 3 4.753 4.868 -0.115 1
1 19 . 7 1 1 A 3 3 ASN CA C 3 53.211 53.597 -0.386 1
1 20 . 7 1 1 A 3 3 ASN CB C 3 38.733 38.795 -0.062 1
1 21 . 7 1 1 A 3 3 ASN N N 3 120.234 123.091 -2.857 1
1 23 . 7 1 1 A 4 4 SER H H 4 8.428 8.643 -0.215 1
1 24 . 7 1 1 A 4 4 SER HA H 4 4.395 4.838 -0.443 1
1 27 . 7 1 1 A 4 4 SER CA C 4 59.048 57.657 1.391 1
1 28 . 7 1 1 A 4 4 SER CB C 4 63.485 63.987 -0.502 1
1 29 . 7 1 1 A 4 4 SER N N 4 116.413 123.249 -6.836 1
1 30 . 7 1 1 A 5 5 GLY H H 5 8.525 8.041 0.484 1
1 31 . 7 1 1 A 5 5 GLY HA2 H 5 3.970 3.679 0.291 1
1 32 . 7 1 1 A 5 5 GLY HA3 H 5 3.969 3.765 0.204 1
1 33 . 7 1 1 A 5 5 GLY CA C 5 45.717 46.682 -0.965 1
1 34 . 7 1 1 A 5 5 GLY N N 5 111.196 109.696 1.500 1
1 35 . 7 1 1 A 6 6 ALA H H 6 7.941 7.844 0.097 1
1 36 . 7 1 1 A 6 6 ALA HA H 6 4.206 4.888 -0.682 1
1 40 . 7 1 1 A 6 6 ALA CA C 6 52.988 50.646 2.342 1
1 41 . 7 1 1 A 6 6 ALA CB C 6 19.429 22.320 -2.891 1
1 42 . 7 1 1 A 6 6 ALA N N 6 123.277 122.871 0.406 1
1 43 . 7 1 1 A 7 7 TYR H H 7 8.351 8.806 -0.455 1
1 44 . 7 1 1 A 7 7 TYR HA H 7 4.509 4.857 -0.348 1
1 51 . 7 1 1 A 7 7 TYR CA C 7 57.528 57.217 0.311 1
1 52 . 7 1 1 A 7 7 TYR CB C 7 39.356 37.618 1.738 1
1 55 . 7 1 1 A 7 7 TYR N N 7 114.900 122.217 -7.317 1
1 56 . 7 1 1 A 8 8 THR H H 8 7.735 8.931 -1.196 1
1 57 . 7 1 1 A 8 8 THR HA H 8 4.922 4.979 -0.057 1
1 62 . 7 1 1 A 8 8 THR CA C 8 60.827 60.378 0.449 1
1 63 . 7 1 1 A 8 8 THR CB C 8 70.109 71.053 -0.944 1
1 65 . 7 1 1 A 8 8 THR N N 8 110.856 115.275 -4.419 1
1 66 . 7 1 1 A 9 9 PHE H H 9 8.816 9.072 -0.256 1
1 67 . 7 1 1 A 9 9 PHE HA H 9 3.825 4.113 -0.288 1
1 75 . 7 1 1 A 9 9 PHE CA C 9 62.935 60.975 1.960 1
1 76 . 7 1 1 A 9 9 PHE CB C 9 39.373 39.169 0.204 1
1 80 . 7 1 1 A 9 9 PHE N N 9 121.282 122.158 -0.876 1
1 81 . 7 1 1 A 10 10 GLU H H 10 9.741 8.290 1.451 1
1 82 . 7 1 1 A 10 10 GLU HA H 10 3.295 4.050 -0.755 1
1 87 . 7 1 1 A 10 10 GLU CA C 10 59.586 59.476 0.110 1
1 88 . 7 1 1 A 10 10 GLU CB C 10 28.453 29.518 -1.065 1
1 90 . 7 1 1 A 10 10 GLU N N 10 117.454 119.088 -1.634 1
1 91 . 7 1 1 A 11 11 THR H H 11 7.542 7.708 -0.166 1
1 92 . 7 1 1 A 11 11 THR HA H 11 3.667 3.857 -0.190 1
1 97 . 7 1 1 A 11 11 THR CA C 11 66.550 67.226 -0.676 1
1 98 . 7 1 1 A 11 11 THR CB C 11 66.557 68.609 -2.052 1
1 100 . 7 1 1 A 11 11 THR N N 11 115.970 116.635 -0.665 1
1 101 . 7 1 1 A 12 12 ILE H H 12 7.724 8.031 -0.307 1
1 102 . 7 1 1 A 12 12 ILE HA H 12 3.561 3.631 -0.070 1
1 112 . 7 1 1 A 12 12 ILE CA C 12 63.395 65.066 -1.671 1
1 113 . 7 1 1 A 12 12 ILE CB C 12 36.233 37.883 -1.650 1
1 117 . 7 1 1 A 12 12 ILE N N 12 122.235 121.065 1.170 1
1 118 . 7 1 1 A 13 13 ALA H H 13 9.099 7.351 1.748 1
1 119 . 7 1 1 A 13 13 ALA HA H 13 3.975 3.768 0.207 1
1 123 . 7 1 1 A 13 13 ALA CA C 13 55.666 54.668 0.998 1
1 124 . 7 1 1 A 13 13 ALA CB C 13 20.126 17.860 2.266 1
1 125 . 7 1 1 A 13 13 ALA N N 13 122.259 121.950 0.309 1
1 126 . 7 1 1 A 14 14 ARG H H 14 8.600 8.049 0.551 1
1 127 . 7 1 1 A 14 14 ARG HA H 14 4.097 3.829 0.268 1
1 134 . 7 1 1 A 14 14 ARG CA C 14 60.889 58.648 2.241 1
1 135 . 7 1 1 A 14 14 ARG CB C 14 29.000 29.716 -0.716 1
1 138 . 7 1 1 A 14 14 ARG N N 14 116.993 118.182 -1.189 1
1 139 . 7 1 1 A 15 15 GLU H H 15 7.924 7.752 0.172 1
1 140 . 7 1 1 A 15 15 GLU HA H 15 4.085 3.822 0.263 1
1 145 . 7 1 1 A 15 15 GLU CA C 15 59.312 59.271 0.041 1
1 146 . 7 1 1 A 15 15 GLU CB C 15 29.866 29.501 0.365 1
1 148 . 7 1 1 A 15 15 GLU N N 15 122.758 118.760 3.998 1
1 149 . 7 1 1 A 16 16 TRP H H 16 8.864 7.785 1.079 1
1 150 . 7 1 1 A 16 16 TRP HA H 16 4.740 4.495 0.245 1
1 158 . 7 1 1 A 16 16 TRP CA C 16 60.839 59.269 1.570 1
1 159 . 7 1 1 A 16 16 TRP CB C 16 26.693 28.131 -1.438 1
1 163 . 7 1 1 A 16 16 TRP N N 16 122.323 120.043 2.280 1
1 165 . 7 1 1 A 17 17 HIS H H 17 8.803 7.046 1.757 1
1 166 . 7 1 1 A 17 17 HIS HA H 17 3.076 4.350 -1.274 1
1 170 . 7 1 1 A 17 17 HIS CA C 17 60.683 59.689 0.994 1
1 171 . 7 1 1 A 17 17 HIS CB C 17 30.772 29.407 1.365 1
1 173 . 7 1 1 A 17 17 HIS N N 17 121.293 120.910 0.383 1
1 174 . 7 1 1 A 18 18 GLU H H 18 7.897 8.332 -0.435 1
1 175 . 7 1 1 A 18 18 GLU HA H 18 3.837 3.978 -0.141 1
1 180 . 7 1 1 A 18 18 GLU CA C 18 57.506 58.843 -1.337 1
1 181 . 7 1 1 A 18 18 GLU CB C 18 29.421 29.030 0.391 1
1 183 . 7 1 1 A 18 18 GLU N N 18 118.162 118.732 -0.570 1
1 184 . 7 1 1 A 19 19 SER H H 19 7.461 7.618 -0.157 1
1 185 . 7 1 1 A 19 19 SER HA H 19 4.150 4.341 -0.191 1
1 188 . 7 1 1 A 19 19 SER CA C 19 60.000 60.695 -0.695 1
1 189 . 7 1 1 A 19 19 SER CB C 19 63.329 63.420 -0.091 1
1 190 . 7 1 1 A 19 19 SER N N 19 112.802 117.446 -4.644 1
1 191 . 7 1 1 A 20 20 ASN H H 20 6.638 7.843 -1.205 1
1 192 . 7 1 1 A 20 20 ASN HA H 20 4.226 4.853 -0.627 1
1 195 . 7 1 1 A 20 20 ASN CA C 20 53.211 52.867 0.344 1
1 196 . 7 1 1 A 20 20 ASN CB C 20 37.021 38.748 -1.727 1
1 197 . 7 1 1 A 20 20 ASN N N 20 121.098 118.235 2.863 1
1 198 . 7 1 1 A 21 21 LYS H H 21 8.010 8.146 -0.136 1
1 199 . 7 1 1 A 21 21 LYS HA H 21 4.077 4.734 -0.657 1
1 208 . 7 1 1 A 21 21 LYS CA C 21 56.558 58.064 -1.506 1
1 209 . 7 1 1 A 21 21 LYS CB C 21 32.435 31.364 1.071 1
1 213 . 7 1 1 A 21 21 LYS N N 21 122.666 117.556 5.110 1
1 214 . 7 1 1 A 22 22 ARG H H 22 8.007 8.841 -0.834 1
1 215 . 7 1 1 A 22 22 ARG HA H 22 4.257 3.656 0.601 1
1 222 . 7 1 1 A 22 22 ARG CA C 22 56.480 56.747 -0.267 1
1 223 . 7 1 1 A 22 22 ARG CB C 22 30.000 28.920 1.080 1
1 226 . 7 1 1 A 22 22 ARG N N 22 117.459 123.216 -5.757 1
1 227 . 7 1 1 A 23 23 TRP H H 23 7.211 7.850 -0.639 1
1 228 . 7 1 1 A 23 23 TRP HA H 23 4.938 5.010 -0.072 1
1 237 . 7 1 1 A 23 23 TRP CA C 23 55.206 57.035 -1.829 1
1 238 . 7 1 1 A 23 23 TRP CB C 23 30.772 31.041 -0.269 1
1 244 . 7 1 1 A 23 23 TRP N N 23 118.844 124.769 -5.925 1
1 246 . 7 1 1 A 24 24 SER H H 24 8.764 7.308 1.456 1
1 247 . 7 1 1 A 24 24 SER HA H 24 4.520 4.002 0.518 1
1 250 . 7 1 1 A 24 24 SER CA C 24 57.647 58.763 -1.116 1
1 251 . 7 1 1 A 24 24 SER CB C 24 64.419 61.616 2.803 1
1 252 . 7 1 1 A 24 24 SER N N 24 117.454 115.418 2.036 1
1 253 . 7 1 1 A 25 25 GLU H H 25 8.976 8.664 0.312 1
1 254 . 7 1 1 A 25 25 GLU HA H 25 4.076 4.154 -0.078 1
1 259 . 7 1 1 A 25 25 GLU CA C 25 59.360 59.822 -0.462 1
1 260 . 7 1 1 A 25 25 GLU CB C 25 28.960 29.585 -0.625 1
1 262 . 7 1 1 A 25 25 GLU N N 25 122.323 127.243 -4.920 1
1 263 . 7 1 1 A 26 26 ASP H H 26 8.608 8.100 0.508 1
1 264 . 7 1 1 A 26 26 ASP HA H 26 4.400 4.377 0.023 1
1 267 . 7 1 1 A 26 26 ASP CA C 26 56.327 57.109 -0.782 1
1 268 . 7 1 1 A 26 26 ASP CB C 26 40.700 41.060 -0.360 1
1 269 . 7 1 1 A 26 26 ASP N N 26 118.165 119.999 -1.834 1
1 270 . 7 1 1 A 27 27 HIS H H 27 7.891 8.182 -0.291 1
1 271 . 7 1 1 A 27 27 HIS HA H 27 4.247 4.156 0.091 1
1 275 . 7 1 1 A 27 27 HIS CA C 27 58.271 59.139 -0.868 1
1 276 . 7 1 1 A 27 27 HIS CB C 27 30.483 29.901 0.582 1
1 278 . 7 1 1 A 27 27 HIS N N 27 120.183 118.756 1.427 1
1 279 . 7 1 1 A 28 28 ARG H H 28 8.676 8.189 0.487 1
1 280 . 7 1 1 A 28 28 ARG HA H 28 3.720 3.974 -0.254 1
1 287 . 7 1 1 A 28 28 ARG CA C 28 59.444 59.616 -0.172 1
1 288 . 7 1 1 A 28 28 ARG CB C 28 30.315 30.172 0.143 1
1 291 . 7 1 1 A 28 28 ARG N N 28 118.156 119.246 -1.090 1
1 292 . 7 1 1 A 29 29 SER H H 29 8.359 8.196 0.163 1
1 293 . 7 1 1 A 29 29 SER HA H 29 4.295 4.081 0.214 1
1 296 . 7 1 1 A 29 29 SER CA C 29 60.916 62.224 -1.308 1
1 297 . 7 1 1 A 29 29 SER CB C 29 62.629 63.070 -0.441 1
1 298 . 7 1 1 A 29 29 SER N N 29 115.374 116.545 -1.171 1
1 299 . 7 1 1 A 30 30 ARG H H 30 7.860 7.640 0.220 1
1 300 . 7 1 1 A 30 30 ARG HA H 30 3.850 4.130 -0.280 1
1 307 . 7 1 1 A 30 30 ARG CA C 30 59.162 58.682 0.480 1
1 308 . 7 1 1 A 30 30 ARG CB C 30 30.171 30.103 0.068 1
1 311 . 7 1 1 A 30 30 ARG N N 30 124.066 121.377 2.689 1
1 312 . 7 1 1 A 31 31 VAL H H 31 7.928 7.780 0.148 1
1 313 . 7 1 1 A 31 31 VAL HA H 31 4.728 3.653 1.075 1
1 321 . 7 1 1 A 31 31 VAL CA C 31 66.054 66.415 -0.361 1
1 322 . 7 1 1 A 31 31 VAL CB C 31 31.961 31.489 0.472 1
1 325 . 7 1 1 A 31 31 VAL N N 31 116.760 120.297 -3.537 1
1 326 . 7 1 1 A 32 32 LEU H H 32 7.314 8.701 -1.387 1
1 327 . 7 1 1 A 32 32 LEU HA H 32 3.867 4.001 -0.134 1
1 337 . 7 1 1 A 32 32 LEU CA C 32 57.406 58.121 -0.715 1
1 338 . 7 1 1 A 32 32 LEU CB C 32 40.912 41.128 -0.216 1
1 342 . 7 1 1 A 32 32 LEU N N 32 117.541 120.309 -2.768 1
1 343 . 7 1 1 A 33 33 ARG H H 33 7.914 7.772 0.142 1
1 344 . 7 1 1 A 33 33 ARG HA H 33 4.070 4.069 0.001 1
1 351 . 7 1 1 A 33 33 ARG CA C 33 58.815 59.425 -0.610 1
1 352 . 7 1 1 A 33 33 ARG CB C 33 29.393 29.933 -0.540 1
1 355 . 7 1 1 A 33 33 ARG N N 33 118.510 119.358 -0.848 1
1 356 . 7 1 1 A 34 34 TYR H H 34 8.211 8.020 0.191 1
1 357 . 7 1 1 A 34 34 TYR HA H 34 4.533 4.156 0.377 1
1 364 . 7 1 1 A 34 34 TYR CA C 34 59.593 61.406 -1.813 1
1 365 . 7 1 1 A 34 34 TYR CB C 34 37.021 38.622 -1.601 1
1 368 . 7 1 1 A 34 34 TYR N N 34 116.416 121.431 -5.015 1
1 369 . 7 1 1 A 35 35 LEU H H 35 7.904 8.172 -0.268 1
1 370 . 7 1 1 A 35 35 LEU HA H 35 3.670 3.636 0.034 1
1 380 . 7 1 1 A 35 35 LEU CA C 35 57.967 57.470 0.497 1
1 381 . 7 1 1 A 35 35 LEU CB C 35 40.740 41.048 -0.308 1
1 385 . 7 1 1 A 35 35 LEU N N 35 118.885 119.256 -0.371 1
1 386 . 7 1 1 A 36 36 GLU H H 36 8.662 7.638 1.024 1
1 387 . 7 1 1 A 36 36 GLU HA H 36 3.993 3.855 0.138 1
1 392 . 7 1 1 A 36 36 GLU CA C 36 59.749 59.011 0.738 1
1 393 . 7 1 1 A 36 36 GLU CB C 36 29.887 29.603 0.284 1
1 395 . 7 1 1 A 36 36 GLU N N 36 120.936 118.437 2.499 1
1 396 . 7 1 1 A 37 37 LEU H H 37 8.195 7.286 0.909 1
1 397 . 7 1 1 A 37 37 LEU HA H 37 3.979 4.168 -0.189 1
1 407 . 7 1 1 A 37 37 LEU CA C 37 56.947 56.222 0.725 1
1 408 . 7 1 1 A 37 37 LEU CB C 37 42.936 43.197 -0.261 1
1 412 . 7 1 1 A 37 37 LEU N N 37 116.413 117.834 -1.421 1
1 413 . 7 1 1 A 38 38 TYR H H 38 7.663 7.913 -0.250 1
1 414 . 7 1 1 A 38 38 TYR HA H 38 4.951 4.064 0.887 1
1 421 . 7 1 1 A 38 38 TYR CA C 38 58.581 60.429 -1.848 1
1 422 . 7 1 1 A 38 38 TYR CB C 38 41.068 38.590 2.478 1
1 425 . 7 1 1 A 38 38 TYR N N 38 110.509 119.690 -9.181 1
1 426 . 7 1 1 A 39 39 ILE H H 39 7.833 7.084 0.749 1
1 427 . 7 1 1 A 39 39 ILE HA H 39 4.642 4.015 0.627 1
1 437 . 7 1 1 A 39 39 ILE CA C 39 60.000 62.820 -2.820 1
1 438 . 7 1 1 A 39 39 ILE CB C 39 37.111 39.053 -1.942 1
1 442 . 7 1 1 A 39 39 ILE N N 39 116.068 118.499 -2.431 1
1 443 . 7 1 1 A 40 40 PHE H H 40 9.117 7.357 1.760 1
1 444 . 7 1 1 A 40 40 PHE HA H 40 4.634 4.860 -0.226 1
1 452 . 7 1 1 A 40 40 PHE CA C 40 57.492 54.604 2.888 1
1 453 . 7 1 1 A 40 40 PHE CB C 40 34.374 38.915 -4.541 1
1 457 . 7 1 1 A 40 40 PHE N N 40 121.241 117.810 3.431 1
1 458 . 7 1 1 A 41 41 PRO HA H 41 4.388 5.013 -0.625 1
1 465 . 7 1 1 A 41 41 PRO CA C 41 66.132 65.579 0.553 1
1 466 . 7 1 1 A 41 41 PRO CB C 41 31.261 31.389 -0.128 1
1 469 . 7 1 1 A 42 42 HIS H H 42 7.153 7.984 -0.831 1
1 470 . 7 1 1 A 42 42 HIS HA H 42 4.678 4.650 0.028 1
1 474 . 7 1 1 A 42 42 HIS CA C 42 57.336 56.227 1.109 1
1 475 . 7 1 1 A 42 42 HIS CB C 42 32.895 30.986 1.909 1
1 477 . 7 1 1 A 42 42 HIS N N 42 111.205 114.878 -3.673 1
1 478 . 7 1 1 A 43 43 ILE H H 43 7.327 7.586 -0.259 1
1 479 . 7 1 1 A 43 43 ILE HA H 43 4.938 4.330 0.608 1
1 489 . 7 1 1 A 43 43 ILE CA C 43 60.527 61.088 -0.561 1
1 490 . 7 1 1 A 43 43 ILE CB C 43 40.445 38.117 2.328 1
1 494 . 7 1 1 A 43 43 ILE N N 43 105.996 111.539 -5.543 1
1 495 . 7 1 1 A 44 44 GLY H H 44 8.958 8.125 0.833 1
1 496 . 7 1 1 A 44 44 GLY HA2 H 44 4.340 3.488 0.852 1
1 497 . 7 1 1 A 44 44 GLY HA3 H 44 3.855 4.147 -0.292 1
1 498 . 7 1 1 A 44 44 GLY CA C 44 48.385 45.543 2.842 1
1 499 . 7 1 1 A 44 44 GLY N N 44 110.704 112.307 -1.603 1
1 500 . 7 1 1 A 45 45 SER H H 45 8.294 8.128 0.166 1
1 501 . 7 1 1 A 45 45 SER HA H 45 4.517 4.628 -0.111 1
1 504 . 7 1 1 A 45 45 SER CA C 45 58.270 58.267 0.003 1
1 505 . 7 1 1 A 45 45 SER CB C 45 63.563 63.759 -0.196 1
1 506 . 7 1 1 A 45 45 SER N N 45 110.505 114.624 -4.119 1
1 507 . 7 1 1 A 46 46 SER H H 46 7.689 7.366 0.323 1
1 508 . 7 1 1 A 46 46 SER HA H 46 4.322 4.849 -0.527 1
1 511 . 7 1 1 A 46 46 SER CA C 46 59.282 56.508 2.774 1
1 512 . 7 1 1 A 46 46 SER CB C 46 63.719 65.754 -2.035 1
1 513 . 7 1 1 A 46 46 SER N N 46 119.190 116.125 3.065 1
1 514 . 7 1 1 A 47 47 ASP H H 47 8.646 8.692 -0.046 1
1 515 . 7 1 1 A 47 47 ASP HA H 47 4.446 4.705 -0.259 1
1 518 . 7 1 1 A 47 47 ASP CA C 47 54.145 54.221 -0.076 1
1 519 . 7 1 1 A 47 47 ASP CB C 47 41.652 42.760 -1.108 1
1 520 . 7 1 1 A 47 47 ASP N N 47 124.868 124.120 0.748 1
1 521 . 7 1 1 A 48 48 ILE H H 48 9.406 8.837 0.569 1
1 522 . 7 1 1 A 48 48 ILE HA H 48 4.091 4.240 -0.149 1
1 532 . 7 1 1 A 48 48 ILE CA C 48 63.844 63.367 0.477 1
1 533 . 7 1 1 A 48 48 ILE CB C 48 39.845 38.263 1.582 1
1 537 . 7 1 1 A 48 48 ILE N N 48 129.573 127.143 2.430 1
1 538 . 7 1 1 A 49 49 ARG H H 49 9.004 7.908 1.096 1
1 539 . 7 1 1 A 49 49 ARG HA H 49 4.166 4.123 0.043 1
1 546 . 7 1 1 A 49 49 ARG CA C 49 57.534 58.809 -1.275 1
1 547 . 7 1 1 A 49 49 ARG CB C 49 29.870 29.889 -0.019 1
1 548 . 7 1 1 A 49 49 ARG N N 49 119.541 121.733 -2.192 1
1 549 . 7 1 1 A 50 50 GLN H H 50 7.868 7.659 0.209 1
1 550 . 7 1 1 A 50 50 GLN HA H 50 4.498 4.623 -0.125 1
1 557 . 7 1 1 A 50 50 GLN CA C 50 54.633 54.390 0.243 1
1 558 . 7 1 1 A 50 50 GLN CB C 50 29.548 28.792 0.756 1
1 560 . 7 1 1 A 50 50 GLN N N 50 114.374 118.091 -3.717 1
1 562 . 7 1 1 A 51 51 LEU H H 51 6.799 8.718 -1.919 1
1 563 . 7 1 1 A 51 51 LEU HA H 51 4.516 4.746 -0.230 1
1 573 . 7 1 1 A 51 51 LEU CA C 51 54.519 54.296 0.223 1
1 574 . 7 1 1 A 51 51 LEU CB C 51 43.014 42.960 0.054 1
1 578 . 7 1 1 A 51 51 LEU N N 51 119.548 128.116 -8.568 1
1 579 . 7 1 1 A 52 52 LYS H H 52 10.373 8.615 1.758 1
1 580 . 7 1 1 A 52 52 LYS HA H 52 4.725 4.963 -0.238 1
1 589 . 7 1 1 A 52 52 LYS CA C 52 53.806 54.161 -0.355 1
1 590 . 7 1 1 A 52 52 LYS CB C 52 34.394 35.950 -1.556 1
1 594 . 7 1 1 A 52 52 LYS N N 52 125.943 121.330 4.613 1
1 595 . 7 1 1 A 53 53 THR H H 53 8.724 8.831 -0.107 1
1 596 . 7 1 1 A 53 53 THR HA H 53 4.727 4.661 0.066 1
1 601 . 7 1 1 A 53 53 THR CA C 53 57.570 61.097 -3.527 1
1 602 . 7 1 1 A 53 53 THR CB C 53 68.467 70.843 -2.376 1
1 604 . 7 1 1 A 53 53 THR N N 53 117.533 113.681 3.852 1
1 605 . 7 1 1 A 54 54 SER H H 54 8.416 9.005 -0.589 1
1 606 . 7 1 1 A 54 54 SER HA H 54 4.743 4.113 0.630 1
1 609 . 7 1 1 A 54 54 SER CA C 54 61.306 61.624 -0.318 1
1 610 . 7 1 1 A 54 54 SER CB C 54 61.132 62.858 -1.726 1
1 611 . 7 1 1 A 54 54 SER N N 54 112.941 115.994 -3.053 1
1 612 . 7 1 1 A 55 55 HIS H H 55 7.077 7.686 -0.609 1
1 613 . 7 1 1 A 55 55 HIS HA H 55 4.425 4.335 0.090 1
1 617 . 7 1 1 A 55 55 HIS CA C 55 58.659 59.171 -0.512 1
1 618 . 7 1 1 A 55 55 HIS CB C 55 33.051 29.683 3.368 1
1 620 . 7 1 1 A 55 55 HIS N N 55 120.680 118.775 1.905 1
1 621 . 7 1 1 A 56 56 LEU H H 56 7.410 7.973 -0.563 1
1 622 . 7 1 1 A 56 56 LEU HA H 56 3.916 4.034 -0.118 1
1 632 . 7 1 1 A 56 56 LEU CA C 56 56.558 57.411 -0.853 1
1 633 . 7 1 1 A 56 56 LEU CB C 56 42.547 41.473 1.074 1
1 637 . 7 1 1 A 56 56 LEU N N 56 115.029 116.635 -1.606 1
1 638 . 7 1 1 A 57 57 LEU H H 57 7.906 7.701 0.205 1
1 639 . 7 1 1 A 57 57 LEU HA H 57 4.073 4.122 -0.049 1
1 649 . 7 1 1 A 57 57 LEU CA C 57 56.047 57.223 -1.176 1
1 650 . 7 1 1 A 57 57 LEU CB C 57 42.575 41.373 1.202 1
1 654 . 7 1 1 A 57 57 LEU N N 57 113.214 121.699 -8.485 1
1 655 . 7 1 1 A 58 58 ALA H H 58 7.367 7.921 -0.554 1
1 656 . 7 1 1 A 58 58 ALA HA H 58 4.176 4.076 0.100 1
1 660 . 7 1 1 A 58 58 ALA CA C 58 57.049 57.192 -0.143 1
1 661 . 7 1 1 A 58 58 ALA CB C 58 15.362 17.268 -1.906 1
1 662 . 7 1 1 A 58 58 ALA N N 58 120.662 121.939 -1.277 1
1 663 . 7 1 1 A 59 59 PRO HA H 59 4.133 4.322 -0.189 1
1 670 . 7 1 1 A 59 59 PRO CA C 59 65.120 66.162 -1.042 1
1 671 . 7 1 1 A 59 59 PRO CB C 59 31.183 30.869 0.314 1
1 674 . 7 1 1 A 60 60 ILE H H 60 6.643 7.558 -0.915 1
1 675 . 7 1 1 A 60 60 ILE HA H 60 3.383 3.806 -0.423 1
1 685 . 7 1 1 A 60 60 ILE CA C 60 64.886 63.771 1.115 1
1 686 . 7 1 1 A 60 60 ILE CB C 60 37.799 36.869 0.930 1
1 690 . 7 1 1 A 60 60 ILE N N 60 117.809 116.122 1.687 1
1 691 . 7 1 1 A 61 61 LYS H H 61 8.635 8.181 0.454 1
1 692 . 7 1 1 A 61 61 LYS HA H 61 3.992 3.928 0.064 1
1 701 . 7 1 1 A 61 61 LYS CA C 61 59.048 58.990 0.058 1
1 702 . 7 1 1 A 61 61 LYS CB C 61 31.678 31.754 -0.076 1
1 706 . 7 1 1 A 61 61 LYS N N 61 120.585 122.721 -2.136 1
1 707 . 7 1 1 A 62 62 GLU H H 62 7.664 7.685 -0.021 1
1 708 . 7 1 1 A 62 62 GLU HA H 62 3.992 4.019 -0.027 1
1 713 . 7 1 1 A 62 62 GLU CA C 62 59.593 59.137 0.456 1
1 714 . 7 1 1 A 62 62 GLU CB C 62 28.975 29.593 -0.618 1
1 716 . 7 1 1 A 62 62 GLU N N 62 118.505 119.040 -0.535 1
1 717 . 7 1 1 A 63 63 VAL H H 63 7.227 8.087 -0.860 1
1 718 . 7 1 1 A 63 63 VAL HA H 63 3.545 3.480 0.065 1
1 726 . 7 1 1 A 63 63 VAL CA C 63 65.663 66.264 -0.601 1
1 727 . 7 1 1 A 63 63 VAL CB C 63 31.650 31.533 0.117 1
1 730 . 7 1 1 A 63 63 VAL N N 63 119.540 119.121 0.419 1
1 731 . 7 1 1 A 64 64 ASP H H 64 8.281 8.107 0.174 1
1 732 . 7 1 1 A 64 64 ASP HA H 64 3.984 4.798 -0.814 1
1 735 . 7 1 1 A 64 64 ASP CA C 64 58.860 57.317 1.543 1
1 736 . 7 1 1 A 64 64 ASP CB C 64 42.561 41.542 1.019 1
1 737 . 7 1 1 A 64 64 ASP N N 64 122.316 120.161 2.155 1
1 738 . 7 1 1 A 65 65 THR H H 65 8.818 8.249 0.569 1
1 739 . 7 1 1 A 65 65 THR HA H 65 4.310 3.653 0.657 1
1 744 . 7 1 1 A 65 65 THR CA C 65 68.825 65.294 3.531 1
1 745 . 7 1 1 A 65 65 THR CB C 65 65.195 68.469 -3.274 1
1 747 . 7 1 1 A 65 65 THR N N 65 112.808 114.917 -2.109 1
1 748 . 7 1 1 A 66 66 SER H H 66 7.596 7.819 -0.223 1
1 749 . 7 1 1 A 66 66 SER HA H 66 4.469 4.326 0.143 1
1 752 . 7 1 1 A 66 66 SER CA C 66 59.827 60.232 -0.405 1
1 753 . 7 1 1 A 66 66 SER CB C 66 63.641 63.681 -0.040 1
1 754 . 7 1 1 A 66 66 SER N N 66 116.412 116.455 -0.043 1
1 755 . 7 1 1 A 67 67 GLY H H 67 7.781 7.066 0.715 1
1 756 . 7 1 1 A 67 67 GLY HA2 H 67 4.467 4.014 0.453 1
1 757 . 7 1 1 A 67 67 GLY HA3 H 67 3.355 4.049 -0.694 1
1 758 . 7 1 1 A 67 67 GLY CA C 67 44.337 45.511 -1.174 1
1 759 . 7 1 1 A 67 67 GLY N N 67 108.565 107.636 0.929 1
1 760 . 7 1 1 A 68 68 LYS H H 68 6.932 7.628 -0.696 1
1 761 . 7 1 1 A 68 68 LYS HA H 68 4.706 4.599 0.107 1
1 770 . 7 1 1 A 68 68 LYS CA C 68 54.145 54.517 -0.372 1
1 771 . 7 1 1 A 68 68 LYS CB C 68 30.325 30.275 0.050 1
1 775 . 7 1 1 A 68 68 LYS N N 68 121.979 120.911 1.068 1
1 776 . 7 1 1 A 69 69 HIS H H 69 7.630 7.650 -0.020 1
1 777 . 7 1 1 A 69 69 HIS HA H 69 4.544 4.383 0.161 1
1 780 . 7 1 1 A 69 69 HIS CA C 69 58.270 60.007 -1.737 1
1 781 . 7 1 1 A 69 69 HIS CB C 69 28.303 29.775 -1.472 1
1 782 . 7 1 1 A 69 69 HIS N N 69 119.617 121.351 -1.734 1
1 783 . 7 1 1 A 70 70 ASP H H 70 8.779 8.368 0.411 1
1 784 . 7 1 1 A 70 70 ASP HA H 70 4.330 4.286 0.044 1
1 787 . 7 1 1 A 70 70 ASP CA C 70 56.869 57.529 -0.660 1
1 788 . 7 1 1 A 70 70 ASP CB C 70 39.433 41.445 -2.012 1
1 789 . 7 1 1 A 70 70 ASP N N 70 118.586 119.344 -0.758 1
1 790 . 7 1 1 A 71 71 VAL H H 71 7.575 8.006 -0.431 1
1 791 . 7 1 1 A 71 71 VAL HA H 71 3.232 3.975 -0.743 1
1 799 . 7 1 1 A 71 71 VAL CA C 71 66.131 63.571 2.560 1
1 800 . 7 1 1 A 71 71 VAL CB C 71 31.105 32.211 -1.106 1
1 803 . 7 1 1 A 71 71 VAL N N 71 121.186 116.608 4.578 1
1 804 . 7 1 1 A 72 72 ALA H H 72 8.022 8.159 -0.137 1
1 805 . 7 1 1 A 72 72 ALA HA H 72 3.682 3.954 -0.272 1
1 809 . 7 1 1 A 72 72 ALA CA C 72 55.702 55.521 0.181 1
1 810 . 7 1 1 A 72 72 ALA CB C 72 18.028 17.756 0.272 1
1 811 . 7 1 1 A 72 72 ALA N N 72 120.675 124.800 -4.125 1
1 812 . 7 1 1 A 73 73 GLN H H 73 7.793 8.040 -0.247 1
1 813 . 7 1 1 A 73 73 GLN HA H 73 3.971 4.244 -0.273 1
1 820 . 7 1 1 A 73 73 GLN CA C 73 58.872 59.081 -0.209 1
1 821 . 7 1 1 A 73 73 GLN CB C 73 28.073 28.573 -0.500 1
1 823 . 7 1 1 A 73 73 GLN N N 73 115.949 117.726 -1.777 1
1 825 . 7 1 1 A 74 74 ARG H H 74 7.795 7.995 -0.200 1
1 826 . 7 1 1 A 74 74 ARG HA H 74 4.108 4.117 -0.009 1
1 833 . 7 1 1 A 74 74 ARG CA C 74 59.282 59.053 0.229 1
1 834 . 7 1 1 A 74 74 ARG CB C 74 29.857 30.017 -0.160 1
1 837 . 7 1 1 A 74 74 ARG N N 74 119.896 119.395 0.501 1
1 838 . 7 1 1 A 75 75 LEU H H 75 8.850 8.279 0.571 1
1 839 . 7 1 1 A 75 75 LEU HA H 75 3.935 4.101 -0.166 1
1 849 . 7 1 1 A 75 75 LEU CA C 75 57.803 57.915 -0.112 1
1 850 . 7 1 1 A 75 75 LEU CB C 75 42.858 41.644 1.214 1
1 854 . 7 1 1 A 75 75 LEU N N 75 118.044 120.511 -2.467 1
1 855 . 7 1 1 A 76 76 GLN H H 76 8.412 8.897 -0.485 1
1 856 . 7 1 1 A 76 76 GLN HA H 76 3.790 4.038 -0.248 1
1 861 . 7 1 1 A 76 76 GLN CA C 76 60.294 58.735 1.559 1
1 862 . 7 1 1 A 76 76 GLN CB C 76 27.995 28.559 -0.564 1
1 864 . 7 1 1 A 76 76 GLN N N 76 119.109 117.268 1.841 1
1 865 . 7 1 1 A 77 77 GLN H H 77 7.788 7.965 -0.177 1
1 866 . 7 1 1 A 77 77 GLN HA H 77 4.090 4.025 0.065 1
1 873 . 7 1 1 A 77 77 GLN CA C 77 59.318 58.885 0.433 1
1 874 . 7 1 1 A 77 77 GLN CB C 77 28.054 28.404 -0.350 1
1 876 . 7 1 1 A 77 77 GLN N N 77 119.616 119.123 0.493 1
1 878 . 7 1 1 A 78 78 ARG H H 78 8.552 7.752 0.800 1
1 879 . 7 1 1 A 78 78 ARG HA H 78 4.171 3.998 0.173 1
1 886 . 7 1 1 A 78 78 ARG CA C 78 57.946 58.659 -0.713 1
1 887 . 7 1 1 A 78 78 ARG CB C 78 28.958 29.875 -0.917 1
1 890 . 7 1 1 A 78 78 ARG N N 78 118.044 120.403 -2.359 1
1 891 . 7 1 1 A 79 79 VAL H H 79 8.958 7.761 1.197 1
1 892 . 7 1 1 A 79 79 VAL HA H 79 3.603 3.717 -0.114 1
1 900 . 7 1 1 A 79 79 VAL CA C 79 67.284 65.729 1.555 1
1 901 . 7 1 1 A 79 79 VAL CB C 79 31.228 31.678 -0.450 1
1 904 . 7 1 1 A 79 79 VAL N N 79 116.998 119.574 -2.576 1
1 905 . 7 1 1 A 80 80 THR H H 80 7.938 7.766 0.172 1
1 906 . 7 1 1 A 80 80 THR HA H 80 4.301 4.054 0.247 1
1 911 . 7 1 1 A 80 80 THR CA C 80 67.976 65.432 2.544 1
1 912 . 7 1 1 A 80 80 THR CB C 80 67.466 67.917 -0.451 1
1 914 . 7 1 1 A 80 80 THR N N 80 115.701 112.127 3.574 1
1 915 . 7 1 1 A 81 81 ALA H H 81 7.656 7.623 0.033 1
1 916 . 7 1 1 A 81 81 ALA HA H 81 4.070 3.845 0.225 1
1 920 . 7 1 1 A 81 81 ALA CA C 81 55.232 54.831 0.401 1
1 921 . 7 1 1 A 81 81 ALA CB C 81 18.087 17.742 0.345 1
1 922 . 7 1 1 A 81 81 ALA N N 81 124.407 123.969 0.438 1
1 923 . 7 1 1 A 82 82 ILE H H 82 7.901 7.676 0.225 1
1 924 . 7 1 1 A 82 82 ILE HA H 82 2.733 3.777 -1.044 1
1 934 . 7 1 1 A 82 82 ILE CA C 82 65.450 64.996 0.454 1
1 935 . 7 1 1 A 82 82 ILE CB C 82 37.569 37.932 -0.363 1
1 939 . 7 1 1 A 82 82 ILE N N 82 121.196 119.379 1.817 1
1 940 . 7 1 1 A 83 83 MET H H 83 8.258 8.463 -0.205 1
1 941 . 7 1 1 A 83 83 MET HA H 83 4.556 4.025 0.531 1
1 949 . 7 1 1 A 83 83 MET CA C 83 56.403 59.117 -2.714 1
1 950 . 7 1 1 A 83 83 MET CB C 83 29.782 32.443 -2.661 1
1 953 . 7 1 1 A 83 83 MET N N 83 120.154 118.367 1.787 1
1 954 . 7 1 1 A 84 84 ARG H H 84 7.915 7.790 0.125 1
1 955 . 7 1 1 A 84 84 ARG HA H 84 4.039 3.798 0.241 1
1 962 . 7 1 1 A 84 84 ARG CA C 84 59.749 58.979 0.770 1
1 963 . 7 1 1 A 84 84 ARG CB C 84 30.000 29.632 0.368 1
1 966 . 7 1 1 A 84 84 ARG N N 84 116.534 120.073 -3.539 1
1 967 . 7 1 1 A 85 85 TYR H H 85 8.221 7.575 0.646 1
1 968 . 7 1 1 A 85 85 TYR HA H 85 4.255 4.287 -0.032 1
1 975 . 7 1 1 A 85 85 TYR CA C 85 61.382 61.257 0.125 1
1 976 . 7 1 1 A 85 85 TYR CB C 85 38.499 37.574 0.925 1
1 979 . 7 1 1 A 85 85 TYR N N 85 122.313 119.086 3.227 1
1 980 . 7 1 1 A 86 86 ALA H H 86 8.804 8.204 0.600 1
1 981 . 7 1 1 A 86 86 ALA HA H 86 4.223 4.248 -0.025 1
1 985 . 7 1 1 A 86 86 ALA CA C 86 55.043 55.132 -0.089 1
1 986 . 7 1 1 A 86 86 ALA CB C 86 18.087 18.297 -0.210 1
1 987 . 7 1 1 A 86 86 ALA N N 86 123.291 122.970 0.321 1
1 988 . 7 1 1 A 87 87 VAL H H 87 8.113 7.806 0.307 1
1 989 . 7 1 1 A 87 87 VAL HA H 87 4.170 3.646 0.524 1
1 997 . 7 1 1 A 87 87 VAL CA C 87 65.146 66.714 -1.568 1
1 998 . 7 1 1 A 87 87 VAL CB C 87 31.897 31.858 0.039 1
1 1001 . 7 1 1 A 87 87 VAL N N 87 120.144 117.706 2.438 1
1 1002 . 7 1 1 A 88 88 GLN H H 88 8.458 8.358 0.100 1
1 1003 . 7 1 1 A 88 88 GLN HA H 88 3.983 3.990 -0.007 1
1 1010 . 7 1 1 A 88 88 GLN CA C 88 58.270 59.218 -0.948 1
1 1011 . 7 1 1 A 88 88 GLN CB C 88 28.075 28.391 -0.316 1
1 1013 . 7 1 1 A 88 88 GLN N N 88 120.751 119.920 0.831 1
1 1015 . 7 1 1 A 89 89 ASN H H 89 7.359 8.203 -0.844 1
1 1016 . 7 1 1 A 89 89 ASN HA H 89 4.486 4.736 -0.250 1
1 1021 . 7 1 1 A 89 89 ASN CA C 89 53.444 52.753 0.691 1
1 1022 . 7 1 1 A 89 89 ASN CB C 89 38.932 38.413 0.519 1
1 1023 . 7 1 1 A 89 89 ASN N N 89 113.850 114.500 -0.650 1
1 1025 . 7 1 1 A 90 90 ASP H H 90 7.849 8.157 -0.308 1
1 1026 . 7 1 1 A 90 90 ASP HA H 90 4.387 4.282 0.105 1
1 1029 . 7 1 1 A 90 90 ASP CA C 90 55.935 54.770 1.165 1
1 1030 . 7 1 1 A 90 90 ASP CB C 90 38.811 39.172 -0.361 1
1 1031 . 7 1 1 A 90 90 ASP N N 90 113.293 118.288 -4.995 1
1 1032 . 7 1 1 A 91 91 TYR H H 91 8.489 8.285 0.204 1
1 1033 . 7 1 1 A 91 91 TYR HA H 91 4.589 4.632 -0.043 1
1 1040 . 7 1 1 A 91 91 TYR CA C 91 60.000 58.637 1.363 1
1 1041 . 7 1 1 A 91 91 TYR CB C 91 38.811 39.867 -1.056 1
1 1044 . 7 1 1 A 91 91 TYR N N 91 116.072 117.827 -1.755 1
1 1045 . 7 1 1 A 92 92 ILE H H 92 7.131 7.413 -0.282 1
1 1046 . 7 1 1 A 92 92 ILE HA H 92 4.684 4.701 -0.017 1
1 1056 . 7 1 1 A 92 92 ILE CA C 92 59.126 58.836 0.290 1
1 1057 . 7 1 1 A 92 92 ILE CB C 92 41.846 40.845 1.001 1
1 1061 . 7 1 1 A 92 92 ILE N N 92 107.409 114.512 -7.103 1
1 1062 . 7 1 1 A 93 93 ASP H H 93 8.731 9.089 -0.358 1
1 1063 . 7 1 1 A 93 93 ASP HA H 93 4.707 4.778 -0.071 1
1 1066 . 7 1 1 A 93 93 ASP CA C 93 54.689 55.634 -0.945 1
1 1067 . 7 1 1 A 93 93 ASP CB C 93 41.924 42.536 -0.612 1
1 1068 . 7 1 1 A 93 93 ASP N N 93 118.847 122.172 -3.325 1
1 1069 . 7 1 1 A 94 94 SER H H 94 7.638 8.098 -0.460 1
1 1070 . 7 1 1 A 94 94 SER HA H 94 4.491 4.797 -0.306 1
1 1073 . 7 1 1 A 94 94 SER CA C 94 57.102 57.475 -0.373 1
1 1074 . 7 1 1 A 94 94 SER CB C 94 64.186 65.566 -1.380 1
1 1075 . 7 1 1 A 94 94 SER N N 94 112.240 114.195 -1.955 1
1 1076 . 7 1 1 A 95 95 ASN H H 95 8.801 8.536 0.265 1
1 1077 . 7 1 1 A 95 95 ASN HA H 95 4.942 5.425 -0.483 1
1 1082 . 7 1 1 A 95 95 ASN CA C 95 49.941 50.485 -0.544 1
1 1083 . 7 1 1 A 95 95 ASN CB C 95 39.356 39.067 0.289 1
1 1084 . 7 1 1 A 95 95 ASN N N 95 119.551 121.221 -1.670 1
1 1086 . 7 1 1 A 96 96 PRO HA H 96 4.632 4.692 -0.060 1
1 1093 . 7 1 1 A 96 96 PRO CA C 96 63.564 62.286 1.278 1
1 1094 . 7 1 1 A 96 96 PRO CB C 96 32.058 32.735 -0.677 1
1 1097 . 7 1 1 A 97 97 ALA H H 97 8.335 8.596 -0.261 1
1 1098 . 7 1 1 A 97 97 ALA HA H 97 4.436 3.909 0.527 1
1 1102 . 7 1 1 A 97 97 ALA CA C 97 52.055 52.730 -0.675 1
1 1103 . 7 1 1 A 97 97 ALA CB C 97 18.998 17.579 1.419 1
1 1104 . 7 1 1 A 97 97 ALA N N 97 121.226 120.673 0.553 1
1 1105 . 7 1 1 A 98 98 SER H H 98 7.600 8.046 -0.446 1
1 1106 . 7 1 1 A 98 98 SER HA H 98 4.168 4.757 -0.589 1
1 1109 . 7 1 1 A 98 98 SER CA C 98 60.372 59.579 0.793 1
1 1110 . 7 1 1 A 98 98 SER CB C 98 63.018 65.960 -2.942 1
1 1111 . 7 1 1 A 98 98 SER N N 98 114.935 114.850 0.085 1
1 1112 . 7 1 1 A 99 99 ASP H H 99 8.098 8.004 0.094 1
1 1113 . 7 1 1 A 99 99 ASP HA H 99 4.760 4.651 0.109 1
1 1116 . 7 1 1 A 99 99 ASP CA C 99 54.300 53.308 0.992 1
1 1117 . 7 1 1 A 99 99 ASP CB C 99 40.835 40.674 0.161 1
1 1118 . 7 1 1 A 99 99 ASP N N 99 119.889 121.522 -1.633 1
1 1119 . 7 1 1 A 100 100 MET H H 100 7.885 8.176 -0.291 1
1 1120 . 7 1 1 A 100 100 MET HA H 100 4.205 4.790 -0.585 1
1 1128 . 7 1 1 A 100 100 MET CA C 100 57.025 54.685 2.340 1
1 1129 . 7 1 1 A 100 100 MET CB C 100 33.038 33.702 -0.664 1
1 1132 . 7 1 1 A 100 100 MET N N 100 119.185 116.558 2.627 1
1 1133 . 7 1 1 A 101 101 ALA H H 101 8.041 7.133 0.908 1
1 1134 . 7 1 1 A 101 101 ALA HA H 101 4.137 4.705 -0.568 1
1 1138 . 7 1 1 A 101 101 ALA CA C 101 53.655 51.278 2.377 1
1 1139 . 7 1 1 A 101 101 ALA CB C 101 18.537 21.845 -3.308 1
1 1140 . 7 1 1 A 101 101 ALA N N 101 122.264 120.348 1.916 1
1 1141 . 7 1 1 A 102 102 GLY H H 102 8.293 8.290 0.003 1
1 1142 . 7 1 1 A 102 102 GLY HA2 H 102 3.910 4.120 -0.210 1
1 1143 . 7 1 1 A 102 102 GLY HA3 H 102 3.913 4.121 -0.208 1
1 1144 . 7 1 1 A 102 102 GLY CA C 102 45.664 44.740 0.924 1
1 1145 . 7 1 1 A 102 102 GLY N N 102 107.557 105.607 1.950 1
1 1146 . 7 1 1 A 103 103 ALA H H 103 7.955 8.674 -0.719 1
1 1147 . 7 1 1 A 103 103 ALA HA H 103 4.235 4.418 -0.183 1
1 1151 . 7 1 1 A 103 103 ALA CA C 103 53.423 52.632 0.791 1
1 1152 . 7 1 1 A 103 103 ALA CB C 103 19.219 20.553 -1.334 1
1 1153 . 7 1 1 A 103 103 ALA N N 103 123.285 128.384 -5.099 1
1 1154 . 7 1 1 A 104 104 LEU H H 104 8.145 8.186 -0.041 1
1 1155 . 7 1 1 A 104 104 LEU HA H 104 4.301 4.196 0.105 1
1 1165 . 7 1 1 A 104 104 LEU CA C 104 55.312 57.410 -2.098 1
1 1166 . 7 1 1 A 104 104 LEU CB C 104 41.644 41.730 -0.086 1
1 1170 . 7 1 1 A 104 104 LEU N N 104 118.570 120.145 -1.575 1
1 1171 . 7 1 1 A 105 105 SER H H 105 8.040 8.353 -0.313 1
1 1172 . 7 1 1 A 105 105 SER HA H 105 4.390 4.521 -0.131 1
1 1175 . 7 1 1 A 105 105 SER CA C 105 58.893 59.101 -0.208 1
1 1176 . 7 1 1 A 105 105 SER CB C 105 63.424 63.797 -0.373 1
1 1177 . 7 1 1 A 105 105 SER N N 105 115.022 114.540 0.482 1
1 1178 . 7 1 1 A 106 106 THR H H 106 8.032 7.822 0.210 1
1 1179 . 7 1 1 A 106 106 THR HA H 106 4.293 4.914 -0.621 1
1 1184 . 7 1 1 A 106 106 THR CA C 106 62.037 61.534 0.503 1
1 1185 . 7 1 1 A 106 106 THR CB C 106 69.401 69.899 -0.498 1
1 1187 . 7 1 1 A 106 106 THR N N 106 115.371 116.551 -1.180 1
1 1188 . 7 1 1 A 107 107 THR H H 107 7.940 8.873 -0.933 1
1 1189 . 7 1 1 A 107 107 THR HA H 107 4.296 5.109 -0.813 1
1 1194 . 7 1 1 A 107 107 THR CA C 107 61.539 60.607 0.932 1
1 1195 . 7 1 1 A 107 107 THR CB C 107 61.610 71.148 -9.538 1
1 1197 . 7 1 1 A 107 107 THR N N 107 122.759 116.730 6.029 1
1 1198 . 7 1 1 A 108 108 LYS H H 108 8.240 8.800 -0.560 1
1 1199 . 7 1 1 A 108 108 LYS HA H 108 4.241 4.901 -0.660 1
1 1208 . 7 1 1 A 108 108 LYS CA C 108 56.324 55.275 1.049 1
1 1209 . 7 1 1 A 108 108 LYS CB C 108 32.817 35.815 -2.998 1
1 1213 . 7 1 1 A 108 108 LYS N N 108 124.773 124.301 0.472 1
1 1214 . 7 1 1 A 109 109 ALA H H 109 8.131 8.532 -0.401 1
1 1215 . 7 1 1 A 109 109 ALA HA H 109 4.224 4.583 -0.359 1
1 1219 . 7 1 1 A 109 109 ALA CA C 109 52.432 52.203 0.229 1
1 1220 . 7 1 1 A 109 109 ALA CB C 109 19.017 21.602 -2.585 1
1 1221 . 7 1 1 A 109 109 ALA N N 109 124.331 126.566 -2.235 1
1 1222 . 7 1 1 A 110 110 ARG H H 110 8.114 7.549 0.565 1
1 1223 . 7 1 1 A 110 110 ARG HA H 110 4.191 4.360 -0.169 1
1 1230 . 7 1 1 A 110 110 ARG CA C 110 56.013 55.773 0.240 1
1 1231 . 7 1 1 A 110 110 ARG CB C 110 30.871 31.192 -0.321 1
1 1234 . 7 1 1 A 110 110 ARG N N 110 119.544 118.750 0.794 1
1 1235 . 7 1 1 A 111 111 HIS H H 111 8.283 8.566 -0.283 1
1 1236 . 7 1 1 A 111 111 HIS HA H 111 4.604 4.237 0.367 1
1 1240 . 7 1 1 A 111 111 HIS CA C 111 55.448 56.301 -0.853 1
1 1241 . 7 1 1 A 111 111 HIS CB C 111 29.866 28.115 1.751 1
1 1243 . 7 1 1 A 111 111 HIS N N 111 119.886 115.909 3.977 1
1 1244 . 7 1 1 A 112 112 TYR H H 112 8.179 8.361 -0.182 1
1 1245 . 7 1 1 A 112 112 TYR HA H 112 4.766 5.146 -0.380 1
1 1252 . 7 1 1 A 112 112 TYR CA C 112 55.701 55.337 0.364 1
1 1253 . 7 1 1 A 112 112 TYR CB C 112 38.110 39.929 -1.819 1
1 1256 . 7 1 1 A 112 112 TYR N N 112 122.673 125.221 -2.548 1
1 1257 . 7 1 1 A 113 113 PRO HA H 113 4.399 4.552 -0.153 1
1 1264 . 7 1 1 A 113 113 PRO CA C 113 63.097 62.467 0.630 1
1 1265 . 7 1 1 A 113 113 PRO CB C 113 31.684 31.880 -0.196 1
1 1268 . 7 1 1 A 114 114 LEU H H 114 8.225 8.501 -0.276 1
1 1269 . 7 1 1 A 114 114 LEU HA H 114 4.265 3.811 0.454 1
1 1279 . 7 1 1 A 114 114 LEU CA C 114 55.069 57.813 -2.744 1
1 1280 . 7 1 1 A 114 114 LEU CB C 114 42.104 42.058 0.046 1
1 1284 . 7 1 1 A 114 114 LEU N N 114 121.625 123.630 -2.005 1
1 1285 . 7 1 1 A 115 115 GLU H H 115 8.273 8.119 0.154 1
1 1286 . 7 1 1 A 115 115 GLU HA H 115 4.202 3.978 0.224 1
1 1291 . 7 1 1 A 115 115 GLU CA C 115 56.402 57.637 -1.235 1
1 1292 . 7 1 1 A 115 115 GLU CB C 115 30.249 28.596 1.653 1
1 5 . 8 1 1 A 2 2 GLU HA H 2 4.399 3.967 0.432 1
1 10 . 8 1 1 A 2 2 GLU CA C 2 56.358 57.268 -0.910 1
1 11 . 8 1 1 A 2 2 GLU CB C 2 30.249 28.078 2.171 1
1 13 . 8 1 1 A 3 3 ASN H H 3 8.699 8.389 0.310 1
1 14 . 8 1 1 A 3 3 ASN HA H 3 4.753 4.873 -0.120 1
1 19 . 8 1 1 A 3 3 ASN CA C 3 53.211 53.099 0.112 1
1 20 . 8 1 1 A 3 3 ASN CB C 3 38.733 38.963 -0.230 1
1 21 . 8 1 1 A 3 3 ASN N N 3 120.234 120.106 0.128 1
1 23 . 8 1 1 A 4 4 SER H H 4 8.428 8.764 -0.336 1
1 24 . 8 1 1 A 4 4 SER HA H 4 4.395 4.939 -0.544 1
1 27 . 8 1 1 A 4 4 SER CA C 4 59.048 56.517 2.531 1
1 28 . 8 1 1 A 4 4 SER CB C 4 63.485 64.660 -1.175 1
1 29 . 8 1 1 A 4 4 SER N N 4 116.413 119.119 -2.706 1
1 30 . 8 1 1 A 5 5 GLY H H 5 8.525 7.758 0.767 1
1 31 . 8 1 1 A 5 5 GLY HA2 H 5 3.970 3.996 -0.026 1
1 32 . 8 1 1 A 5 5 GLY HA3 H 5 3.969 4.072 -0.103 1
1 33 . 8 1 1 A 5 5 GLY CA C 5 45.717 46.055 -0.338 1
1 34 . 8 1 1 A 5 5 GLY N N 5 111.196 113.866 -2.670 1
1 35 . 8 1 1 A 6 6 ALA H H 6 7.941 7.965 -0.024 1
1 36 . 8 1 1 A 6 6 ALA HA H 6 4.206 4.260 -0.054 1
1 40 . 8 1 1 A 6 6 ALA CA C 6 52.988 53.403 -0.415 1
1 41 . 8 1 1 A 6 6 ALA CB C 6 19.429 19.491 -0.062 1
1 42 . 8 1 1 A 6 6 ALA N N 6 123.277 129.384 -6.107 1
1 43 . 8 1 1 A 7 7 TYR H H 7 8.351 7.343 1.008 1
1 44 . 8 1 1 A 7 7 TYR HA H 7 4.509 5.145 -0.636 1
1 51 . 8 1 1 A 7 7 TYR CA C 7 57.528 56.062 1.466 1
1 52 . 8 1 1 A 7 7 TYR CB C 7 39.356 41.454 -2.098 1
1 55 . 8 1 1 A 7 7 TYR N N 7 114.900 115.347 -0.447 1
1 56 . 8 1 1 A 8 8 THR H H 8 7.735 8.719 -0.984 1
1 57 . 8 1 1 A 8 8 THR HA H 8 4.922 4.972 -0.050 1
1 62 . 8 1 1 A 8 8 THR CA C 8 60.827 60.312 0.515 1
1 63 . 8 1 1 A 8 8 THR CB C 8 70.109 71.790 -1.681 1
1 65 . 8 1 1 A 8 8 THR N N 8 110.856 113.657 -2.801 1
1 66 . 8 1 1 A 9 9 PHE H H 9 8.816 9.028 -0.212 1
1 67 . 8 1 1 A 9 9 PHE HA H 9 3.825 4.126 -0.301 1
1 75 . 8 1 1 A 9 9 PHE CA C 9 62.935 61.980 0.955 1
1 76 . 8 1 1 A 9 9 PHE CB C 9 39.373 39.494 -0.121 1
1 80 . 8 1 1 A 9 9 PHE N N 9 121.282 121.976 -0.694 1
1 81 . 8 1 1 A 10 10 GLU H H 10 9.741 8.315 1.426 1
1 82 . 8 1 1 A 10 10 GLU HA H 10 3.295 4.185 -0.890 1
1 87 . 8 1 1 A 10 10 GLU CA C 10 59.586 59.072 0.514 1
1 88 . 8 1 1 A 10 10 GLU CB C 10 28.453 29.188 -0.735 1
1 90 . 8 1 1 A 10 10 GLU N N 10 117.454 119.617 -2.163 1
1 91 . 8 1 1 A 11 11 THR H H 11 7.542 7.639 -0.097 1
1 92 . 8 1 1 A 11 11 THR HA H 11 3.667 3.968 -0.301 1
1 97 . 8 1 1 A 11 11 THR CA C 11 66.550 66.707 -0.157 1
1 98 . 8 1 1 A 11 11 THR CB C 11 66.557 67.805 -1.248 1
1 100 . 8 1 1 A 11 11 THR N N 11 115.970 117.275 -1.305 1
1 101 . 8 1 1 A 12 12 ILE H H 12 7.724 7.759 -0.035 1
1 102 . 8 1 1 A 12 12 ILE HA H 12 3.561 3.700 -0.139 1
1 112 . 8 1 1 A 12 12 ILE CA C 12 63.395 64.733 -1.338 1
1 113 . 8 1 1 A 12 12 ILE CB C 12 36.233 37.113 -0.880 1
1 117 . 8 1 1 A 12 12 ILE N N 12 122.235 121.693 0.542 1
1 118 . 8 1 1 A 13 13 ALA H H 13 9.099 7.828 1.271 1
1 119 . 8 1 1 A 13 13 ALA HA H 13 3.975 3.732 0.243 1
1 123 . 8 1 1 A 13 13 ALA CA C 13 55.666 54.634 1.032 1
1 124 . 8 1 1 A 13 13 ALA CB C 13 20.126 17.785 2.341 1
1 125 . 8 1 1 A 13 13 ALA N N 13 122.259 122.281 -0.022 1
1 126 . 8 1 1 A 14 14 ARG H H 14 8.600 8.390 0.210 1
1 127 . 8 1 1 A 14 14 ARG HA H 14 4.097 3.819 0.278 1
1 134 . 8 1 1 A 14 14 ARG CA C 14 60.889 58.823 2.066 1
1 135 . 8 1 1 A 14 14 ARG CB C 14 29.000 29.955 -0.955 1
1 138 . 8 1 1 A 14 14 ARG N N 14 116.993 119.169 -2.176 1
1 139 . 8 1 1 A 15 15 GLU H H 15 7.924 8.104 -0.180 1
1 140 . 8 1 1 A 15 15 GLU HA H 15 4.085 3.923 0.162 1
1 145 . 8 1 1 A 15 15 GLU CA C 15 59.312 59.369 -0.057 1
1 146 . 8 1 1 A 15 15 GLU CB C 15 29.866 29.567 0.299 1
1 148 . 8 1 1 A 15 15 GLU N N 15 122.758 118.158 4.600 1
1 149 . 8 1 1 A 16 16 TRP H H 16 8.864 7.830 1.034 1
1 150 . 8 1 1 A 16 16 TRP HA H 16 4.740 4.470 0.270 1
1 158 . 8 1 1 A 16 16 TRP CA C 16 60.839 58.967 1.872 1
1 159 . 8 1 1 A 16 16 TRP CB C 16 26.693 28.051 -1.358 1
1 163 . 8 1 1 A 16 16 TRP N N 16 122.323 120.168 2.155 1
1 165 . 8 1 1 A 17 17 HIS H H 17 8.803 7.770 1.033 1
1 166 . 8 1 1 A 17 17 HIS HA H 17 3.076 3.980 -0.904 1
1 170 . 8 1 1 A 17 17 HIS CA C 17 60.683 59.599 1.084 1
1 171 . 8 1 1 A 17 17 HIS CB C 17 30.772 29.337 1.435 1
1 173 . 8 1 1 A 17 17 HIS N N 17 121.293 120.439 0.854 1
1 174 . 8 1 1 A 18 18 GLU H H 18 7.897 8.365 -0.468 1
1 175 . 8 1 1 A 18 18 GLU HA H 18 3.837 3.892 -0.055 1
1 180 . 8 1 1 A 18 18 GLU CA C 18 57.506 58.459 -0.953 1
1 181 . 8 1 1 A 18 18 GLU CB C 18 29.421 29.610 -0.189 1
1 183 . 8 1 1 A 18 18 GLU N N 18 118.162 119.405 -1.243 1
1 184 . 8 1 1 A 19 19 SER H H 19 7.461 7.644 -0.183 1
1 185 . 8 1 1 A 19 19 SER HA H 19 4.150 4.329 -0.179 1
1 188 . 8 1 1 A 19 19 SER CA C 19 60.000 61.107 -1.107 1
1 189 . 8 1 1 A 19 19 SER CB C 19 63.329 63.477 -0.148 1
1 190 . 8 1 1 A 19 19 SER N N 19 112.802 113.824 -1.022 1
1 191 . 8 1 1 A 20 20 ASN H H 20 6.638 7.943 -1.305 1
1 192 . 8 1 1 A 20 20 ASN HA H 20 4.226 4.689 -0.463 1
1 195 . 8 1 1 A 20 20 ASN CA C 20 53.211 53.547 -0.336 1
1 196 . 8 1 1 A 20 20 ASN CB C 20 37.021 37.714 -0.693 1
1 197 . 8 1 1 A 20 20 ASN N N 20 121.098 118.577 2.521 1
1 198 . 8 1 1 A 21 21 LYS H H 21 8.010 8.612 -0.602 1
1 199 . 8 1 1 A 21 21 LYS HA H 21 4.077 4.358 -0.281 1
1 208 . 8 1 1 A 21 21 LYS CA C 21 56.558 57.404 -0.846 1
1 209 . 8 1 1 A 21 21 LYS CB C 21 32.435 33.363 -0.928 1
1 213 . 8 1 1 A 21 21 LYS N N 21 122.666 121.933 0.733 1
1 214 . 8 1 1 A 22 22 ARG H H 22 8.007 7.485 0.522 1
1 215 . 8 1 1 A 22 22 ARG HA H 22 4.257 4.272 -0.015 1
1 222 . 8 1 1 A 22 22 ARG CA C 22 56.480 55.170 1.310 1
1 223 . 8 1 1 A 22 22 ARG CB C 22 30.000 33.802 -3.802 1
1 226 . 8 1 1 A 22 22 ARG N N 22 117.459 118.537 -1.078 1
1 227 . 8 1 1 A 23 23 TRP H H 23 7.211 8.207 -0.996 1
1 228 . 8 1 1 A 23 23 TRP HA H 23 4.938 4.735 0.203 1
1 237 . 8 1 1 A 23 23 TRP CA C 23 55.206 57.344 -2.138 1
1 238 . 8 1 1 A 23 23 TRP CB C 23 30.772 28.853 1.919 1
1 244 . 8 1 1 A 23 23 TRP N N 23 118.844 123.419 -4.575 1
1 246 . 8 1 1 A 24 24 SER H H 24 8.764 8.209 0.555 1
1 247 . 8 1 1 A 24 24 SER HA H 24 4.520 4.858 -0.338 1
1 250 . 8 1 1 A 24 24 SER CA C 24 57.647 57.191 0.456 1
1 251 . 8 1 1 A 24 24 SER CB C 24 64.419 64.227 0.192 1
1 252 . 8 1 1 A 24 24 SER N N 24 117.454 122.051 -4.597 1
1 253 . 8 1 1 A 25 25 GLU H H 25 8.976 8.016 0.960 1
1 254 . 8 1 1 A 25 25 GLU HA H 25 4.076 3.821 0.255 1
1 259 . 8 1 1 A 25 25 GLU CA C 25 59.360 59.863 -0.503 1
1 260 . 8 1 1 A 25 25 GLU CB C 25 28.960 29.552 -0.592 1
1 262 . 8 1 1 A 25 25 GLU N N 25 122.323 122.958 -0.635 1
1 263 . 8 1 1 A 26 26 ASP H H 26 8.608 8.079 0.529 1
1 264 . 8 1 1 A 26 26 ASP HA H 26 4.400 4.256 0.144 1
1 267 . 8 1 1 A 26 26 ASP CA C 26 56.327 56.955 -0.628 1
1 268 . 8 1 1 A 26 26 ASP CB C 26 40.700 41.605 -0.905 1
1 269 . 8 1 1 A 26 26 ASP N N 26 118.165 119.761 -1.596 1
1 270 . 8 1 1 A 27 27 HIS H H 27 7.891 7.217 0.674 1
1 271 . 8 1 1 A 27 27 HIS HA H 27 4.247 4.325 -0.078 1
1 275 . 8 1 1 A 27 27 HIS CA C 27 58.271 59.200 -0.929 1
1 276 . 8 1 1 A 27 27 HIS CB C 27 30.483 30.485 -0.002 1
1 278 . 8 1 1 A 27 27 HIS N N 27 120.183 117.506 2.677 1
1 279 . 8 1 1 A 28 28 ARG H H 28 8.676 8.770 -0.094 1
1 280 . 8 1 1 A 28 28 ARG HA H 28 3.720 4.053 -0.333 1
1 287 . 8 1 1 A 28 28 ARG CA C 28 59.444 58.625 0.819 1
1 288 . 8 1 1 A 28 28 ARG CB C 28 30.315 29.679 0.636 1
1 291 . 8 1 1 A 28 28 ARG N N 28 118.156 118.318 -0.162 1
1 292 . 8 1 1 A 29 29 SER H H 29 8.359 7.499 0.860 1
1 293 . 8 1 1 A 29 29 SER HA H 29 4.295 4.245 0.050 1
1 296 . 8 1 1 A 29 29 SER CA C 29 60.916 61.348 -0.432 1
1 297 . 8 1 1 A 29 29 SER CB C 29 62.629 62.907 -0.278 1
1 298 . 8 1 1 A 29 29 SER N N 29 115.374 115.722 -0.348 1
1 299 . 8 1 1 A 30 30 ARG H H 30 7.860 7.669 0.191 1
1 300 . 8 1 1 A 30 30 ARG HA H 30 3.850 4.141 -0.291 1
1 307 . 8 1 1 A 30 30 ARG CA C 30 59.162 58.944 0.218 1
1 308 . 8 1 1 A 30 30 ARG CB C 30 30.171 30.128 0.043 1
1 311 . 8 1 1 A 30 30 ARG N N 30 124.066 119.691 4.375 1
1 312 . 8 1 1 A 31 31 VAL H H 31 7.928 8.298 -0.370 1
1 313 . 8 1 1 A 31 31 VAL HA H 31 4.728 3.587 1.141 1
1 321 . 8 1 1 A 31 31 VAL CA C 31 66.054 66.517 -0.463 1
1 322 . 8 1 1 A 31 31 VAL CB C 31 31.961 31.370 0.591 1
1 325 . 8 1 1 A 31 31 VAL N N 31 116.760 121.049 -4.289 1
1 326 . 8 1 1 A 32 32 LEU H H 32 7.314 8.084 -0.770 1
1 327 . 8 1 1 A 32 32 LEU HA H 32 3.867 4.373 -0.506 1
1 337 . 8 1 1 A 32 32 LEU CA C 32 57.406 58.033 -0.627 1
1 338 . 8 1 1 A 32 32 LEU CB C 32 40.912 42.092 -1.180 1
1 342 . 8 1 1 A 32 32 LEU N N 32 117.541 120.312 -2.771 1
1 343 . 8 1 1 A 33 33 ARG H H 33 7.914 7.948 -0.034 1
1 344 . 8 1 1 A 33 33 ARG HA H 33 4.070 3.973 0.097 1
1 351 . 8 1 1 A 33 33 ARG CA C 33 58.815 59.428 -0.613 1
1 352 . 8 1 1 A 33 33 ARG CB C 33 29.393 30.044 -0.651 1
1 355 . 8 1 1 A 33 33 ARG N N 33 118.510 119.686 -1.176 1
1 356 . 8 1 1 A 34 34 TYR H H 34 8.211 8.658 -0.447 1
1 357 . 8 1 1 A 34 34 TYR HA H 34 4.533 4.364 0.169 1
1 364 . 8 1 1 A 34 34 TYR CA C 34 59.593 60.200 -0.607 1
1 365 . 8 1 1 A 34 34 TYR CB C 34 37.021 37.026 -0.005 1
1 368 . 8 1 1 A 34 34 TYR N N 34 116.416 118.828 -2.412 1
1 369 . 8 1 1 A 35 35 LEU H H 35 7.904 8.048 -0.144 1
1 370 . 8 1 1 A 35 35 LEU HA H 35 3.670 3.499 0.171 1
1 380 . 8 1 1 A 35 35 LEU CA C 35 57.967 57.836 0.131 1
1 381 . 8 1 1 A 35 35 LEU CB C 35 40.740 41.291 -0.551 1
1 385 . 8 1 1 A 35 35 LEU N N 35 118.885 124.484 -5.599 1
1 386 . 8 1 1 A 36 36 GLU H H 36 8.662 7.952 0.710 1
1 387 . 8 1 1 A 36 36 GLU HA H 36 3.993 4.239 -0.246 1
1 392 . 8 1 1 A 36 36 GLU CA C 36 59.749 59.431 0.318 1
1 393 . 8 1 1 A 36 36 GLU CB C 36 29.887 29.739 0.148 1
1 395 . 8 1 1 A 36 36 GLU N N 36 120.936 118.955 1.981 1
1 396 . 8 1 1 A 37 37 LEU H H 37 8.195 7.378 0.817 1
1 397 . 8 1 1 A 37 37 LEU HA H 37 3.979 4.325 -0.346 1
1 407 . 8 1 1 A 37 37 LEU CA C 37 56.947 56.560 0.387 1
1 408 . 8 1 1 A 37 37 LEU CB C 37 42.936 43.409 -0.473 1
1 412 . 8 1 1 A 37 37 LEU N N 37 116.413 118.774 -2.361 1
1 413 . 8 1 1 A 38 38 TYR H H 38 7.663 8.782 -1.119 1
1 414 . 8 1 1 A 38 38 TYR HA H 38 4.951 4.229 0.722 1
1 421 . 8 1 1 A 38 38 TYR CA C 38 58.581 60.957 -2.376 1
1 422 . 8 1 1 A 38 38 TYR CB C 38 41.068 38.766 2.302 1
1 425 . 8 1 1 A 38 38 TYR N N 38 110.509 119.158 -8.649 1
1 426 . 8 1 1 A 39 39 ILE H H 39 7.833 7.481 0.352 1
1 427 . 8 1 1 A 39 39 ILE HA H 39 4.642 3.875 0.767 1
1 437 . 8 1 1 A 39 39 ILE CA C 39 60.000 62.193 -2.193 1
1 438 . 8 1 1 A 39 39 ILE CB C 39 37.111 39.155 -2.044 1
1 442 . 8 1 1 A 39 39 ILE N N 39 116.068 118.381 -2.313 1
1 443 . 8 1 1 A 40 40 PHE H H 40 9.117 7.386 1.731 1
1 444 . 8 1 1 A 40 40 PHE HA H 40 4.634 5.054 -0.420 1
1 452 . 8 1 1 A 40 40 PHE CA C 40 57.492 54.808 2.684 1
1 453 . 8 1 1 A 40 40 PHE CB C 40 34.374 38.135 -3.761 1
1 457 . 8 1 1 A 40 40 PHE N N 40 121.241 119.472 1.769 1
1 458 . 8 1 1 A 41 41 PRO HA H 41 4.388 4.383 0.005 1
1 465 . 8 1 1 A 41 41 PRO CA C 41 66.132 65.983 0.149 1
1 466 . 8 1 1 A 41 41 PRO CB C 41 31.261 31.433 -0.172 1
1 469 . 8 1 1 A 42 42 HIS H H 42 7.153 7.664 -0.511 1
1 470 . 8 1 1 A 42 42 HIS HA H 42 4.678 4.576 0.102 1
1 474 . 8 1 1 A 42 42 HIS CA C 42 57.336 58.010 -0.674 1
1 475 . 8 1 1 A 42 42 HIS CB C 42 32.895 31.055 1.840 1
1 477 . 8 1 1 A 42 42 HIS N N 42 111.205 116.308 -5.103 1
1 478 . 8 1 1 A 43 43 ILE H H 43 7.327 7.752 -0.425 1
1 479 . 8 1 1 A 43 43 ILE HA H 43 4.938 4.272 0.666 1
1 489 . 8 1 1 A 43 43 ILE CA C 43 60.527 60.804 -0.277 1
1 490 . 8 1 1 A 43 43 ILE CB C 43 40.445 37.623 2.822 1
1 494 . 8 1 1 A 43 43 ILE N N 43 105.996 113.448 -7.452 1
1 495 . 8 1 1 A 44 44 GLY H H 44 8.958 8.350 0.608 1
1 496 . 8 1 1 A 44 44 GLY HA2 H 44 4.340 3.885 0.455 1
1 497 . 8 1 1 A 44 44 GLY HA3 H 44 3.855 3.894 -0.039 1
1 498 . 8 1 1 A 44 44 GLY CA C 44 48.385 46.475 1.910 1
1 499 . 8 1 1 A 44 44 GLY N N 44 110.704 112.857 -2.153 1
1 500 . 8 1 1 A 45 45 SER H H 45 8.294 7.642 0.652 1
1 501 . 8 1 1 A 45 45 SER HA H 45 4.517 4.448 0.069 1
1 504 . 8 1 1 A 45 45 SER CA C 45 58.270 58.242 0.028 1
1 505 . 8 1 1 A 45 45 SER CB C 45 63.563 63.506 0.057 1
1 506 . 8 1 1 A 45 45 SER N N 45 110.505 116.715 -6.210 1
1 507 . 8 1 1 A 46 46 SER H H 46 7.689 7.425 0.264 1
1 508 . 8 1 1 A 46 46 SER HA H 46 4.322 4.485 -0.163 1
1 511 . 8 1 1 A 46 46 SER CA C 46 59.282 58.860 0.422 1
1 512 . 8 1 1 A 46 46 SER CB C 46 63.719 64.037 -0.318 1
1 513 . 8 1 1 A 46 46 SER N N 46 119.190 117.264 1.926 1
1 514 . 8 1 1 A 47 47 ASP H H 47 8.646 8.427 0.219 1
1 515 . 8 1 1 A 47 47 ASP HA H 47 4.446 4.851 -0.405 1
1 518 . 8 1 1 A 47 47 ASP CA C 47 54.145 53.613 0.532 1
1 519 . 8 1 1 A 47 47 ASP CB C 47 41.652 42.678 -1.026 1
1 520 . 8 1 1 A 47 47 ASP N N 47 124.868 124.868 0.000 1
1 521 . 8 1 1 A 48 48 ILE H H 48 9.406 9.031 0.375 1
1 522 . 8 1 1 A 48 48 ILE HA H 48 4.091 4.370 -0.279 1
1 532 . 8 1 1 A 48 48 ILE CA C 48 63.844 63.347 0.497 1
1 533 . 8 1 1 A 48 48 ILE CB C 48 39.845 38.251 1.594 1
1 537 . 8 1 1 A 48 48 ILE N N 48 129.573 128.218 1.355 1
1 538 . 8 1 1 A 49 49 ARG H H 49 9.004 8.158 0.846 1
1 539 . 8 1 1 A 49 49 ARG HA H 49 4.166 4.546 -0.380 1
1 546 . 8 1 1 A 49 49 ARG CA C 49 57.534 58.654 -1.120 1
1 547 . 8 1 1 A 49 49 ARG CB C 49 29.870 30.731 -0.861 1
1 548 . 8 1 1 A 49 49 ARG N N 49 119.541 121.434 -1.893 1
1 549 . 8 1 1 A 50 50 GLN H H 50 7.868 7.877 -0.009 1
1 550 . 8 1 1 A 50 50 GLN HA H 50 4.498 4.709 -0.211 1
1 557 . 8 1 1 A 50 50 GLN CA C 50 54.633 54.848 -0.215 1
1 558 . 8 1 1 A 50 50 GLN CB C 50 29.548 29.000 0.548 1
1 560 . 8 1 1 A 50 50 GLN N N 50 114.374 118.373 -3.999 1
1 562 . 8 1 1 A 51 51 LEU H H 51 6.799 8.888 -2.089 1
1 563 . 8 1 1 A 51 51 LEU HA H 51 4.516 4.900 -0.384 1
1 573 . 8 1 1 A 51 51 LEU CA C 51 54.519 55.042 -0.523 1
1 574 . 8 1 1 A 51 51 LEU CB C 51 43.014 43.663 -0.649 1
1 578 . 8 1 1 A 51 51 LEU N N 51 119.548 128.541 -8.993 1
1 579 . 8 1 1 A 52 52 LYS H H 52 10.373 8.552 1.821 1
1 580 . 8 1 1 A 52 52 LYS HA H 52 4.725 4.777 -0.052 1
1 589 . 8 1 1 A 52 52 LYS CA C 52 53.806 54.364 -0.558 1
1 590 . 8 1 1 A 52 52 LYS CB C 52 34.394 34.883 -0.489 1
1 594 . 8 1 1 A 52 52 LYS N N 52 125.943 126.127 -0.184 1
1 595 . 8 1 1 A 53 53 THR H H 53 8.724 8.500 0.224 1
1 596 . 8 1 1 A 53 53 THR HA H 53 4.727 4.553 0.174 1
1 601 . 8 1 1 A 53 53 THR CA C 53 57.570 61.572 -4.002 1
1 602 . 8 1 1 A 53 53 THR CB C 53 68.467 69.529 -1.062 1
1 604 . 8 1 1 A 53 53 THR N N 53 117.533 114.865 2.668 1
1 605 . 8 1 1 A 54 54 SER H H 54 8.416 8.864 -0.448 1
1 606 . 8 1 1 A 54 54 SER HA H 54 4.743 4.264 0.479 1
1 609 . 8 1 1 A 54 54 SER CA C 54 61.306 59.746 1.560 1
1 610 . 8 1 1 A 54 54 SER CB C 54 61.132 62.641 -1.509 1
1 611 . 8 1 1 A 54 54 SER N N 54 112.941 117.702 -4.761 1
1 612 . 8 1 1 A 55 55 HIS H H 55 7.077 8.188 -1.111 1
1 613 . 8 1 1 A 55 55 HIS HA H 55 4.425 4.492 -0.067 1
1 617 . 8 1 1 A 55 55 HIS CA C 55 58.659 58.452 0.207 1
1 618 . 8 1 1 A 55 55 HIS CB C 55 33.051 28.639 4.412 1
1 620 . 8 1 1 A 55 55 HIS N N 55 120.680 120.458 0.222 1
1 621 . 8 1 1 A 56 56 LEU H H 56 7.410 6.967 0.443 1
1 622 . 8 1 1 A 56 56 LEU HA H 56 3.916 3.970 -0.054 1
1 632 . 8 1 1 A 56 56 LEU CA C 56 56.558 57.174 -0.616 1
1 633 . 8 1 1 A 56 56 LEU CB C 56 42.547 41.291 1.256 1
1 637 . 8 1 1 A 56 56 LEU N N 56 115.029 118.564 -3.535 1
1 638 . 8 1 1 A 57 57 LEU H H 57 7.906 7.770 0.136 1
1 639 . 8 1 1 A 57 57 LEU HA H 57 4.073 4.043 0.030 1
1 649 . 8 1 1 A 57 57 LEU CA C 57 56.047 57.128 -1.081 1
1 650 . 8 1 1 A 57 57 LEU CB C 57 42.575 41.359 1.216 1
1 654 . 8 1 1 A 57 57 LEU N N 57 113.214 121.930 -8.716 1
1 655 . 8 1 1 A 58 58 ALA H H 58 7.367 8.101 -0.734 1
1 656 . 8 1 1 A 58 58 ALA HA H 58 4.176 3.933 0.243 1
1 660 . 8 1 1 A 58 58 ALA CA C 58 57.049 57.301 -0.252 1
1 661 . 8 1 1 A 58 58 ALA CB C 58 15.362 16.723 -1.361 1
1 662 . 8 1 1 A 58 58 ALA N N 58 120.662 121.957 -1.295 1
1 663 . 8 1 1 A 59 59 PRO HA H 59 4.133 4.309 -0.176 1
1 670 . 8 1 1 A 59 59 PRO CA C 59 65.120 65.352 -0.232 1
1 671 . 8 1 1 A 59 59 PRO CB C 59 31.183 30.906 0.277 1
1 674 . 8 1 1 A 60 60 ILE H H 60 6.643 7.160 -0.517 1
1 675 . 8 1 1 A 60 60 ILE HA H 60 3.383 3.735 -0.352 1
1 685 . 8 1 1 A 60 60 ILE CA C 60 64.886 63.633 1.253 1
1 686 . 8 1 1 A 60 60 ILE CB C 60 37.799 36.692 1.107 1
1 690 . 8 1 1 A 60 60 ILE N N 60 117.809 116.492 1.317 1
1 691 . 8 1 1 A 61 61 LYS H H 61 8.635 8.062 0.573 1
1 692 . 8 1 1 A 61 61 LYS HA H 61 3.992 4.042 -0.050 1
1 701 . 8 1 1 A 61 61 LYS CA C 61 59.048 59.560 -0.512 1
1 702 . 8 1 1 A 61 61 LYS CB C 61 31.678 32.044 -0.366 1
1 706 . 8 1 1 A 61 61 LYS N N 61 120.585 121.174 -0.589 1
1 707 . 8 1 1 A 62 62 GLU H H 62 7.664 8.022 -0.358 1
1 708 . 8 1 1 A 62 62 GLU HA H 62 3.992 4.062 -0.070 1
1 713 . 8 1 1 A 62 62 GLU CA C 62 59.593 59.242 0.351 1
1 714 . 8 1 1 A 62 62 GLU CB C 62 28.975 29.550 -0.575 1
1 716 . 8 1 1 A 62 62 GLU N N 62 118.505 119.712 -1.207 1
1 717 . 8 1 1 A 63 63 VAL H H 63 7.227 7.949 -0.722 1
1 718 . 8 1 1 A 63 63 VAL HA H 63 3.545 3.899 -0.354 1
1 726 . 8 1 1 A 63 63 VAL CA C 63 65.663 64.212 1.451 1
1 727 . 8 1 1 A 63 63 VAL CB C 63 31.650 31.626 0.024 1
1 730 . 8 1 1 A 63 63 VAL N N 63 119.540 119.228 0.312 1
1 731 . 8 1 1 A 64 64 ASP H H 64 8.281 8.416 -0.135 1
1 732 . 8 1 1 A 64 64 ASP HA H 64 3.984 4.407 -0.423 1
1 735 . 8 1 1 A 64 64 ASP CA C 64 58.860 57.664 1.196 1
1 736 . 8 1 1 A 64 64 ASP CB C 64 42.561 41.709 0.852 1
1 737 . 8 1 1 A 64 64 ASP N N 64 122.316 121.854 0.462 1
1 738 . 8 1 1 A 65 65 THR H H 65 8.818 8.433 0.385 1
1 739 . 8 1 1 A 65 65 THR HA H 65 4.310 4.226 0.084 1
1 744 . 8 1 1 A 65 65 THR CA C 65 68.825 65.304 3.521 1
1 745 . 8 1 1 A 65 65 THR CB C 65 65.195 68.354 -3.159 1
1 747 . 8 1 1 A 65 65 THR N N 65 112.808 115.632 -2.824 1
1 748 . 8 1 1 A 66 66 SER H H 66 7.596 7.796 -0.200 1
1 749 . 8 1 1 A 66 66 SER HA H 66 4.469 4.513 -0.044 1
1 752 . 8 1 1 A 66 66 SER CA C 66 59.827 58.815 1.012 1
1 753 . 8 1 1 A 66 66 SER CB C 66 63.641 63.262 0.379 1
1 754 . 8 1 1 A 66 66 SER N N 66 116.412 115.172 1.240 1
1 755 . 8 1 1 A 67 67 GLY H H 67 7.781 8.009 -0.228 1
1 756 . 8 1 1 A 67 67 GLY HA2 H 67 4.467 4.070 0.397 1
1 757 . 8 1 1 A 67 67 GLY HA3 H 67 3.355 4.124 -0.769 1
1 758 . 8 1 1 A 67 67 GLY CA C 67 44.337 45.110 -0.773 1
1 759 . 8 1 1 A 67 67 GLY N N 67 108.565 108.125 0.440 1
1 760 . 8 1 1 A 68 68 LYS H H 68 6.932 7.685 -0.753 1
1 761 . 8 1 1 A 68 68 LYS HA H 68 4.706 4.477 0.229 1
1 770 . 8 1 1 A 68 68 LYS CA C 68 54.145 55.448 -1.303 1
1 771 . 8 1 1 A 68 68 LYS CB C 68 30.325 32.558 -2.233 1
1 775 . 8 1 1 A 68 68 LYS N N 68 121.979 119.425 2.554 1
1 776 . 8 1 1 A 69 69 HIS H H 69 7.630 8.259 -0.629 1
1 777 . 8 1 1 A 69 69 HIS HA H 69 4.544 4.342 0.202 1
1 780 . 8 1 1 A 69 69 HIS CA C 69 58.270 58.930 -0.660 1
1 781 . 8 1 1 A 69 69 HIS CB C 69 28.303 28.695 -0.392 1
1 782 . 8 1 1 A 69 69 HIS N N 69 119.617 119.112 0.505 1
1 783 . 8 1 1 A 70 70 ASP H H 70 8.779 7.941 0.838 1
1 784 . 8 1 1 A 70 70 ASP HA H 70 4.330 4.305 0.025 1
1 787 . 8 1 1 A 70 70 ASP CA C 70 56.869 57.598 -0.729 1
1 788 . 8 1 1 A 70 70 ASP CB C 70 39.433 41.355 -1.922 1
1 789 . 8 1 1 A 70 70 ASP N N 70 118.586 121.145 -2.559 1
1 790 . 8 1 1 A 71 71 VAL H H 71 7.575 7.872 -0.297 1
1 791 . 8 1 1 A 71 71 VAL HA H 71 3.232 4.123 -0.891 1
1 799 . 8 1 1 A 71 71 VAL CA C 71 66.131 63.232 2.899 1
1 800 . 8 1 1 A 71 71 VAL CB C 71 31.105 32.016 -0.911 1
1 803 . 8 1 1 A 71 71 VAL N N 71 121.186 116.687 4.499 1
1 804 . 8 1 1 A 72 72 ALA H H 72 8.022 7.944 0.078 1
1 805 . 8 1 1 A 72 72 ALA HA H 72 3.682 4.100 -0.418 1
1 809 . 8 1 1 A 72 72 ALA CA C 72 55.702 55.661 0.041 1
1 810 . 8 1 1 A 72 72 ALA CB C 72 18.028 17.800 0.228 1
1 811 . 8 1 1 A 72 72 ALA N N 72 120.675 124.642 -3.967 1
1 812 . 8 1 1 A 73 73 GLN H H 73 7.793 8.301 -0.508 1
1 813 . 8 1 1 A 73 73 GLN HA H 73 3.971 3.994 -0.023 1
1 820 . 8 1 1 A 73 73 GLN CA C 73 58.872 59.211 -0.339 1
1 821 . 8 1 1 A 73 73 GLN CB C 73 28.073 28.546 -0.473 1
1 823 . 8 1 1 A 73 73 GLN N N 73 115.949 117.910 -1.961 1
1 825 . 8 1 1 A 74 74 ARG H H 74 7.795 8.008 -0.213 1
1 826 . 8 1 1 A 74 74 ARG HA H 74 4.108 4.060 0.048 1
1 833 . 8 1 1 A 74 74 ARG CA C 74 59.282 58.969 0.313 1
1 834 . 8 1 1 A 74 74 ARG CB C 74 29.857 29.932 -0.075 1
1 837 . 8 1 1 A 74 74 ARG N N 74 119.896 119.139 0.757 1
1 838 . 8 1 1 A 75 75 LEU H H 75 8.850 7.734 1.116 1
1 839 . 8 1 1 A 75 75 LEU HA H 75 3.935 4.091 -0.156 1
1 849 . 8 1 1 A 75 75 LEU CA C 75 57.803 57.918 -0.115 1
1 850 . 8 1 1 A 75 75 LEU CB C 75 42.858 41.504 1.354 1
1 854 . 8 1 1 A 75 75 LEU N N 75 118.044 119.477 -1.433 1
1 855 . 8 1 1 A 76 76 GLN H H 76 8.412 8.381 0.031 1
1 856 . 8 1 1 A 76 76 GLN HA H 76 3.790 3.969 -0.179 1
1 861 . 8 1 1 A 76 76 GLN CA C 76 60.294 59.219 1.075 1
1 862 . 8 1 1 A 76 76 GLN CB C 76 27.995 27.772 0.223 1
1 864 . 8 1 1 A 76 76 GLN N N 76 119.109 117.596 1.513 1
1 865 . 8 1 1 A 77 77 GLN H H 77 7.788 8.501 -0.713 1
1 866 . 8 1 1 A 77 77 GLN HA H 77 4.090 4.064 0.026 1
1 873 . 8 1 1 A 77 77 GLN CA C 77 59.318 59.048 0.270 1
1 874 . 8 1 1 A 77 77 GLN CB C 77 28.054 28.361 -0.307 1
1 876 . 8 1 1 A 77 77 GLN N N 77 119.616 119.553 0.063 1
1 878 . 8 1 1 A 78 78 ARG H H 78 8.552 7.686 0.866 1
1 879 . 8 1 1 A 78 78 ARG HA H 78 4.171 4.213 -0.042 1
1 886 . 8 1 1 A 78 78 ARG CA C 78 57.946 58.635 -0.689 1
1 887 . 8 1 1 A 78 78 ARG CB C 78 28.958 29.829 -0.871 1
1 890 . 8 1 1 A 78 78 ARG N N 78 118.044 120.215 -2.171 1
1 891 . 8 1 1 A 79 79 VAL H H 79 8.958 8.136 0.822 1
1 892 . 8 1 1 A 79 79 VAL HA H 79 3.603 3.823 -0.220 1
1 900 . 8 1 1 A 79 79 VAL CA C 79 67.284 66.486 0.798 1
1 901 . 8 1 1 A 79 79 VAL CB C 79 31.228 31.728 -0.500 1
1 904 . 8 1 1 A 79 79 VAL N N 79 116.998 119.550 -2.552 1
1 905 . 8 1 1 A 80 80 THR H H 80 7.938 8.022 -0.084 1
1 906 . 8 1 1 A 80 80 THR HA H 80 4.301 3.864 0.437 1
1 911 . 8 1 1 A 80 80 THR CA C 80 67.976 66.388 1.588 1
1 912 . 8 1 1 A 80 80 THR CB C 80 67.466 68.508 -1.042 1
1 914 . 8 1 1 A 80 80 THR N N 80 115.701 116.216 -0.515 1
1 915 . 8 1 1 A 81 81 ALA H H 81 7.656 7.733 -0.077 1
1 916 . 8 1 1 A 81 81 ALA HA H 81 4.070 4.034 0.036 1
1 920 . 8 1 1 A 81 81 ALA CA C 81 55.232 55.016 0.216 1
1 921 . 8 1 1 A 81 81 ALA CB C 81 18.087 18.133 -0.046 1
1 922 . 8 1 1 A 81 81 ALA N N 81 124.407 122.860 1.547 1
1 923 . 8 1 1 A 82 82 ILE H H 82 7.901 8.085 -0.184 1
1 924 . 8 1 1 A 82 82 ILE HA H 82 2.733 3.946 -1.213 1
1 934 . 8 1 1 A 82 82 ILE CA C 82 65.450 65.329 0.121 1
1 935 . 8 1 1 A 82 82 ILE CB C 82 37.569 37.959 -0.390 1
1 939 . 8 1 1 A 82 82 ILE N N 82 121.196 120.008 1.188 1
1 940 . 8 1 1 A 83 83 MET H H 83 8.258 8.132 0.126 1
1 941 . 8 1 1 A 83 83 MET HA H 83 4.556 4.041 0.515 1
1 949 . 8 1 1 A 83 83 MET CA C 83 56.403 59.053 -2.650 1
1 950 . 8 1 1 A 83 83 MET CB C 83 29.782 32.151 -2.369 1
1 953 . 8 1 1 A 83 83 MET N N 83 120.154 118.458 1.696 1
1 954 . 8 1 1 A 84 84 ARG H H 84 7.915 7.544 0.371 1
1 955 . 8 1 1 A 84 84 ARG HA H 84 4.039 3.951 0.088 1
1 962 . 8 1 1 A 84 84 ARG CA C 84 59.749 59.694 0.055 1
1 963 . 8 1 1 A 84 84 ARG CB C 84 30.000 29.578 0.422 1
1 966 . 8 1 1 A 84 84 ARG N N 84 116.534 118.750 -2.216 1
1 967 . 8 1 1 A 85 85 TYR H H 85 8.221 7.602 0.619 1
1 968 . 8 1 1 A 85 85 TYR HA H 85 4.255 4.273 -0.018 1
1 975 . 8 1 1 A 85 85 TYR CA C 85 61.382 61.079 0.303 1
1 976 . 8 1 1 A 85 85 TYR CB C 85 38.499 37.707 0.792 1
1 979 . 8 1 1 A 85 85 TYR N N 85 122.313 119.766 2.547 1
1 980 . 8 1 1 A 86 86 ALA H H 86 8.804 8.442 0.362 1
1 981 . 8 1 1 A 86 86 ALA HA H 86 4.223 4.190 0.033 1
1 985 . 8 1 1 A 86 86 ALA CA C 86 55.043 55.168 -0.125 1
1 986 . 8 1 1 A 86 86 ALA CB C 86 18.087 18.175 -0.088 1
1 987 . 8 1 1 A 86 86 ALA N N 86 123.291 122.841 0.450 1
1 988 . 8 1 1 A 87 87 VAL H H 87 8.113 8.115 -0.002 1
1 989 . 8 1 1 A 87 87 VAL HA H 87 4.170 3.367 0.803 1
1 997 . 8 1 1 A 87 87 VAL CA C 87 65.146 66.524 -1.378 1
1 998 . 8 1 1 A 87 87 VAL CB C 87 31.897 31.528 0.369 1
1 1001 . 8 1 1 A 87 87 VAL N N 87 120.144 118.198 1.946 1
1 1002 . 8 1 1 A 88 88 GLN H H 88 8.458 8.063 0.395 1
1 1003 . 8 1 1 A 88 88 GLN HA H 88 3.983 4.023 -0.040 1
1 1010 . 8 1 1 A 88 88 GLN CA C 88 58.270 58.604 -0.334 1
1 1011 . 8 1 1 A 88 88 GLN CB C 88 28.075 28.509 -0.434 1
1 1013 . 8 1 1 A 88 88 GLN N N 88 120.751 119.884 0.867 1
1 1015 . 8 1 1 A 89 89 ASN H H 89 7.359 7.793 -0.434 1
1 1016 . 8 1 1 A 89 89 ASN HA H 89 4.486 4.909 -0.423 1
1 1021 . 8 1 1 A 89 89 ASN CA C 89 53.444 53.108 0.336 1
1 1022 . 8 1 1 A 89 89 ASN CB C 89 38.932 39.375 -0.443 1
1 1023 . 8 1 1 A 89 89 ASN N N 89 113.850 115.145 -1.295 1
1 1025 . 8 1 1 A 90 90 ASP H H 90 7.849 8.190 -0.341 1
1 1026 . 8 1 1 A 90 90 ASP HA H 90 4.387 4.338 0.049 1
1 1029 . 8 1 1 A 90 90 ASP CA C 90 55.935 55.362 0.573 1
1 1030 . 8 1 1 A 90 90 ASP CB C 90 38.811 39.352 -0.541 1
1 1031 . 8 1 1 A 90 90 ASP N N 90 113.293 116.501 -3.208 1
1 1032 . 8 1 1 A 91 91 TYR H H 91 8.489 8.372 0.117 1
1 1033 . 8 1 1 A 91 91 TYR HA H 91 4.589 4.512 0.077 1
1 1040 . 8 1 1 A 91 91 TYR CA C 91 60.000 59.845 0.155 1
1 1041 . 8 1 1 A 91 91 TYR CB C 91 38.811 37.522 1.289 1
1 1044 . 8 1 1 A 91 91 TYR N N 91 116.072 117.519 -1.447 1
1 1045 . 8 1 1 A 92 92 ILE H H 92 7.131 7.077 0.054 1
1 1046 . 8 1 1 A 92 92 ILE HA H 92 4.684 4.079 0.605 1
1 1056 . 8 1 1 A 92 92 ILE CA C 92 59.126 62.603 -3.477 1
1 1057 . 8 1 1 A 92 92 ILE CB C 92 41.846 39.078 2.768 1
1 1061 . 8 1 1 A 92 92 ILE N N 92 107.409 116.110 -8.701 1
1 1062 . 8 1 1 A 93 93 ASP H H 93 8.731 8.075 0.656 1
1 1063 . 8 1 1 A 93 93 ASP HA H 93 4.707 4.545 0.162 1
1 1066 . 8 1 1 A 93 93 ASP CA C 93 54.689 56.246 -1.557 1
1 1067 . 8 1 1 A 93 93 ASP CB C 93 41.924 40.440 1.484 1
1 1068 . 8 1 1 A 93 93 ASP N N 93 118.847 122.806 -3.959 1
1 1069 . 8 1 1 A 94 94 SER H H 94 7.638 8.279 -0.641 1
1 1070 . 8 1 1 A 94 94 SER HA H 94 4.491 4.565 -0.074 1
1 1073 . 8 1 1 A 94 94 SER CA C 94 57.102 57.136 -0.034 1
1 1074 . 8 1 1 A 94 94 SER CB C 94 64.186 64.586 -0.400 1
1 1075 . 8 1 1 A 94 94 SER N N 94 112.240 116.821 -4.581 1
1 1076 . 8 1 1 A 95 95 ASN H H 95 8.801 8.497 0.304 1
1 1077 . 8 1 1 A 95 95 ASN HA H 95 4.942 5.416 -0.474 1
1 1082 . 8 1 1 A 95 95 ASN CA C 95 49.941 50.337 -0.396 1
1 1083 . 8 1 1 A 95 95 ASN CB C 95 39.356 39.238 0.118 1
1 1084 . 8 1 1 A 95 95 ASN N N 95 119.551 120.888 -1.337 1
1 1086 . 8 1 1 A 96 96 PRO HA H 96 4.632 4.564 0.068 1
1 1093 . 8 1 1 A 96 96 PRO CA C 96 63.564 62.584 0.980 1
1 1094 . 8 1 1 A 96 96 PRO CB C 96 32.058 32.800 -0.742 1
1 1097 . 8 1 1 A 97 97 ALA H H 97 8.335 8.601 -0.266 1
1 1098 . 8 1 1 A 97 97 ALA HA H 97 4.436 3.996 0.440 1
1 1102 . 8 1 1 A 97 97 ALA CA C 97 52.055 53.627 -1.572 1
1 1103 . 8 1 1 A 97 97 ALA CB C 97 18.998 18.270 0.728 1
1 1104 . 8 1 1 A 97 97 ALA N N 97 121.226 119.947 1.279 1
1 1105 . 8 1 1 A 98 98 SER H H 98 7.600 8.200 -0.600 1
1 1106 . 8 1 1 A 98 98 SER HA H 98 4.168 4.274 -0.106 1
1 1109 . 8 1 1 A 98 98 SER CA C 98 60.372 61.419 -1.047 1
1 1110 . 8 1 1 A 98 98 SER CB C 98 63.018 62.859 0.159 1
1 1111 . 8 1 1 A 98 98 SER N N 98 114.935 111.129 3.806 1
1 1112 . 8 1 1 A 99 99 ASP H H 99 8.098 7.979 0.119 1
1 1113 . 8 1 1 A 99 99 ASP HA H 99 4.760 4.450 0.310 1
1 1116 . 8 1 1 A 99 99 ASP CA C 99 54.300 56.093 -1.793 1
1 1117 . 8 1 1 A 99 99 ASP CB C 99 40.835 40.817 0.018 1
1 1118 . 8 1 1 A 99 99 ASP N N 99 119.889 121.501 -1.612 1
1 1119 . 8 1 1 A 100 100 MET H H 100 7.885 7.824 0.061 1
1 1120 . 8 1 1 A 100 100 MET HA H 100 4.205 4.172 0.033 1
1 1128 . 8 1 1 A 100 100 MET CA C 100 57.025 59.071 -2.046 1
1 1129 . 8 1 1 A 100 100 MET CB C 100 33.038 32.360 0.678 1
1 1132 . 8 1 1 A 100 100 MET N N 100 119.185 117.886 1.299 1
1 1133 . 8 1 1 A 101 101 ALA H H 101 8.041 7.780 0.261 1
1 1134 . 8 1 1 A 101 101 ALA HA H 101 4.137 4.414 -0.277 1
1 1138 . 8 1 1 A 101 101 ALA CA C 101 53.655 52.022 1.633 1
1 1139 . 8 1 1 A 101 101 ALA CB C 101 18.537 19.165 -0.628 1
1 1140 . 8 1 1 A 101 101 ALA N N 101 122.264 120.513 1.751 1
1 1141 . 8 1 1 A 102 102 GLY H H 102 8.293 7.803 0.490 1
1 1142 . 8 1 1 A 102 102 GLY HA2 H 102 3.910 4.055 -0.145 1
1 1143 . 8 1 1 A 102 102 GLY HA3 H 102 3.913 4.056 -0.143 1
1 1144 . 8 1 1 A 102 102 GLY CA C 102 45.664 45.367 0.297 1
1 1145 . 8 1 1 A 102 102 GLY N N 102 107.557 106.307 1.250 1
1 1146 . 8 1 1 A 103 103 ALA H H 103 7.955 8.038 -0.083 1
1 1147 . 8 1 1 A 103 103 ALA HA H 103 4.235 4.152 0.083 1
1 1151 . 8 1 1 A 103 103 ALA CA C 103 53.423 54.361 -0.938 1
1 1152 . 8 1 1 A 103 103 ALA CB C 103 19.219 19.432 -0.213 1
1 1153 . 8 1 1 A 103 103 ALA N N 103 123.285 121.398 1.887 1
1 1154 . 8 1 1 A 104 104 LEU H H 104 8.145 7.730 0.415 1
1 1155 . 8 1 1 A 104 104 LEU HA H 104 4.301 4.700 -0.399 1
1 1165 . 8 1 1 A 104 104 LEU CA C 104 55.312 53.431 1.881 1
1 1166 . 8 1 1 A 104 104 LEU CB C 104 41.644 44.014 -2.370 1
1 1170 . 8 1 1 A 104 104 LEU N N 104 118.570 116.052 2.518 1
1 1171 . 8 1 1 A 105 105 SER H H 105 8.040 8.834 -0.794 1
1 1172 . 8 1 1 A 105 105 SER HA H 105 4.390 4.646 -0.256 1
1 1175 . 8 1 1 A 105 105 SER CA C 105 58.893 59.558 -0.665 1
1 1176 . 8 1 1 A 105 105 SER CB C 105 63.424 64.333 -0.909 1
1 1177 . 8 1 1 A 105 105 SER N N 105 115.022 117.674 -2.652 1
1 1178 . 8 1 1 A 106 106 THR H H 106 8.032 7.850 0.182 1
1 1179 . 8 1 1 A 106 106 THR HA H 106 4.293 4.636 -0.343 1
1 1184 . 8 1 1 A 106 106 THR CA C 106 62.037 61.005 1.032 1
1 1185 . 8 1 1 A 106 106 THR CB C 106 69.401 69.991 -0.590 1
1 1187 . 8 1 1 A 106 106 THR N N 106 115.371 112.154 3.217 1
1 1188 . 8 1 1 A 107 107 THR H H 107 7.940 8.545 -0.605 1
1 1189 . 8 1 1 A 107 107 THR HA H 107 4.296 4.678 -0.382 1
1 1194 . 8 1 1 A 107 107 THR CA C 107 61.539 61.072 0.467 1
1 1195 . 8 1 1 A 107 107 THR CB C 107 61.610 69.544 -7.934 1
1 1197 . 8 1 1 A 107 107 THR N N 107 122.759 118.373 4.386 1
1 1198 . 8 1 1 A 108 108 LYS H H 108 8.240 8.595 -0.355 1
1 1199 . 8 1 1 A 108 108 LYS HA H 108 4.241 4.281 -0.040 1
1 1208 . 8 1 1 A 108 108 LYS CA C 108 56.324 55.810 0.514 1
1 1209 . 8 1 1 A 108 108 LYS CB C 108 32.817 33.351 -0.534 1
1 1213 . 8 1 1 A 108 108 LYS N N 108 124.773 126.863 -2.090 1
1 1214 . 8 1 1 A 109 109 ALA H H 109 8.131 8.415 -0.284 1
1 1215 . 8 1 1 A 109 109 ALA HA H 109 4.224 4.231 -0.007 1
1 1219 . 8 1 1 A 109 109 ALA CA C 109 52.432 53.812 -1.380 1
1 1220 . 8 1 1 A 109 109 ALA CB C 109 19.017 19.804 -0.787 1
1 1221 . 8 1 1 A 109 109 ALA N N 109 124.331 127.467 -3.136 1
1 1222 . 8 1 1 A 110 110 ARG H H 110 8.114 7.554 0.560 1
1 1223 . 8 1 1 A 110 110 ARG HA H 110 4.191 4.518 -0.327 1
1 1230 . 8 1 1 A 110 110 ARG CA C 110 56.013 55.220 0.793 1
1 1231 . 8 1 1 A 110 110 ARG CB C 110 30.871 29.672 1.199 1
1 1234 . 8 1 1 A 110 110 ARG N N 110 119.544 118.092 1.452 1
1 1235 . 8 1 1 A 111 111 HIS H H 111 8.283 8.040 0.243 1
1 1236 . 8 1 1 A 111 111 HIS HA H 111 4.604 5.201 -0.597 1
1 1240 . 8 1 1 A 111 111 HIS CA C 111 55.448 53.714 1.734 1
1 1241 . 8 1 1 A 111 111 HIS CB C 111 29.866 30.581 -0.715 1
1 1243 . 8 1 1 A 111 111 HIS N N 111 119.886 121.525 -1.639 1
1 1244 . 8 1 1 A 112 112 TYR H H 112 8.179 8.878 -0.699 1
1 1245 . 8 1 1 A 112 112 TYR HA H 112 4.766 4.806 -0.040 1
1 1252 . 8 1 1 A 112 112 TYR CA C 112 55.701 55.438 0.263 1
1 1253 . 8 1 1 A 112 112 TYR CB C 112 38.110 40.785 -2.675 1
1 1256 . 8 1 1 A 112 112 TYR N N 112 122.673 123.221 -0.548 1
1 1257 . 8 1 1 A 113 113 PRO HA H 113 4.399 4.484 -0.085 1
1 1264 . 8 1 1 A 113 113 PRO CA C 113 63.097 65.474 -2.377 1
1 1265 . 8 1 1 A 113 113 PRO CB C 113 31.684 31.754 -0.070 1
1 1268 . 8 1 1 A 114 114 LEU H H 114 8.225 7.550 0.675 1
1 1269 . 8 1 1 A 114 114 LEU HA H 114 4.265 4.585 -0.320 1
1 1279 . 8 1 1 A 114 114 LEU CA C 114 55.069 54.551 0.518 1
1 1280 . 8 1 1 A 114 114 LEU CB C 114 42.104 43.205 -1.101 1
1 1284 . 8 1 1 A 114 114 LEU N N 114 121.625 116.116 5.509 1
1 1285 . 8 1 1 A 115 115 GLU H H 115 8.273 8.723 -0.450 1
1 1286 . 8 1 1 A 115 115 GLU HA H 115 4.202 4.190 0.012 1
1 1291 . 8 1 1 A 115 115 GLU CA C 115 56.402 57.051 -0.649 1
1 1292 . 8 1 1 A 115 115 GLU CB C 115 30.249 30.044 0.205 1
1 5 . 9 1 1 A 2 2 GLU HA H 2 4.399 4.132 0.267 1
1 10 . 9 1 1 A 2 2 GLU CA C 2 56.358 59.133 -2.775 1
1 11 . 9 1 1 A 2 2 GLU CB C 2 30.249 30.000 0.249 1
1 13 . 9 1 1 A 3 3 ASN H H 3 8.699 7.743 0.956 1
1 14 . 9 1 1 A 3 3 ASN HA H 3 4.753 4.629 0.124 1
1 19 . 9 1 1 A 3 3 ASN CA C 3 53.211 53.515 -0.304 1
1 20 . 9 1 1 A 3 3 ASN CB C 3 38.733 38.745 -0.012 1
1 21 . 9 1 1 A 3 3 ASN N N 3 120.234 118.682 1.552 1
1 23 . 9 1 1 A 4 4 SER H H 4 8.428 9.066 -0.638 1
1 24 . 9 1 1 A 4 4 SER HA H 4 4.395 4.712 -0.317 1
1 27 . 9 1 1 A 4 4 SER CA C 4 59.048 57.852 1.196 1
1 28 . 9 1 1 A 4 4 SER CB C 4 63.485 64.980 -1.495 1
1 29 . 9 1 1 A 4 4 SER N N 4 116.413 123.202 -6.789 1
1 30 . 9 1 1 A 5 5 GLY H H 5 8.525 7.988 0.537 1
1 31 . 9 1 1 A 5 5 GLY HA2 H 5 3.970 4.238 -0.268 1
1 32 . 9 1 1 A 5 5 GLY HA3 H 5 3.969 4.264 -0.295 1
1 33 . 9 1 1 A 5 5 GLY CA C 5 45.717 44.620 1.097 1
1 34 . 9 1 1 A 5 5 GLY N N 5 111.196 109.354 1.842 1
1 35 . 9 1 1 A 6 6 ALA H H 6 7.941 8.695 -0.754 1
1 36 . 9 1 1 A 6 6 ALA HA H 6 4.206 3.960 0.246 1
1 40 . 9 1 1 A 6 6 ALA CA C 6 52.988 52.855 0.133 1
1 41 . 9 1 1 A 6 6 ALA CB C 6 19.429 17.669 1.760 1
1 42 . 9 1 1 A 6 6 ALA N N 6 123.277 121.803 1.474 1
1 43 . 9 1 1 A 7 7 TYR H H 7 8.351 8.380 -0.029 1
1 44 . 9 1 1 A 7 7 TYR HA H 7 4.509 4.909 -0.400 1
1 51 . 9 1 1 A 7 7 TYR CA C 7 57.528 55.975 1.553 1
1 52 . 9 1 1 A 7 7 TYR CB C 7 39.356 38.040 1.316 1
1 55 . 9 1 1 A 7 7 TYR N N 7 114.900 116.440 -1.540 1
1 56 . 9 1 1 A 8 8 THR H H 8 7.735 8.023 -0.288 1
1 57 . 9 1 1 A 8 8 THR HA H 8 4.922 4.667 0.255 1
1 62 . 9 1 1 A 8 8 THR CA C 8 60.827 60.314 0.513 1
1 63 . 9 1 1 A 8 8 THR CB C 8 70.109 71.427 -1.318 1
1 65 . 9 1 1 A 8 8 THR N N 8 110.856 114.349 -3.493 1
1 66 . 9 1 1 A 9 9 PHE H H 9 8.816 9.346 -0.530 1
1 67 . 9 1 1 A 9 9 PHE HA H 9 3.825 4.129 -0.304 1
1 75 . 9 1 1 A 9 9 PHE CA C 9 62.935 60.398 2.537 1
1 76 . 9 1 1 A 9 9 PHE CB C 9 39.373 37.980 1.393 1
1 80 . 9 1 1 A 9 9 PHE N N 9 121.282 120.662 0.620 1
1 81 . 9 1 1 A 10 10 GLU H H 10 9.741 7.385 2.356 1
1 82 . 9 1 1 A 10 10 GLU HA H 10 3.295 3.435 -0.140 1
1 87 . 9 1 1 A 10 10 GLU CA C 10 59.586 58.998 0.588 1
1 88 . 9 1 1 A 10 10 GLU CB C 10 28.453 29.221 -0.768 1
1 90 . 9 1 1 A 10 10 GLU N N 10 117.454 119.425 -1.971 1
1 91 . 9 1 1 A 11 11 THR H H 11 7.542 7.841 -0.299 1
1 92 . 9 1 1 A 11 11 THR HA H 11 3.667 3.832 -0.165 1
1 97 . 9 1 1 A 11 11 THR CA C 11 66.550 66.957 -0.407 1
1 98 . 9 1 1 A 11 11 THR CB C 11 66.557 68.063 -1.506 1
1 100 . 9 1 1 A 11 11 THR N N 11 115.970 117.027 -1.057 1
1 101 . 9 1 1 A 12 12 ILE H H 12 7.724 7.954 -0.230 1
1 102 . 9 1 1 A 12 12 ILE HA H 12 3.561 3.599 -0.038 1
1 112 . 9 1 1 A 12 12 ILE CA C 12 63.395 64.928 -1.533 1
1 113 . 9 1 1 A 12 12 ILE CB C 12 36.233 37.639 -1.406 1
1 117 . 9 1 1 A 12 12 ILE N N 12 122.235 121.659 0.576 1
1 118 . 9 1 1 A 13 13 ALA H H 13 9.099 8.453 0.646 1
1 119 . 9 1 1 A 13 13 ALA HA H 13 3.975 3.377 0.598 1
1 123 . 9 1 1 A 13 13 ALA CA C 13 55.666 55.036 0.630 1
1 124 . 9 1 1 A 13 13 ALA CB C 13 20.126 17.962 2.164 1
1 125 . 9 1 1 A 13 13 ALA N N 13 122.259 121.536 0.723 1
1 126 . 9 1 1 A 14 14 ARG H H 14 8.600 7.539 1.061 1
1 127 . 9 1 1 A 14 14 ARG HA H 14 4.097 3.849 0.248 1
1 134 . 9 1 1 A 14 14 ARG CA C 14 60.889 58.829 2.060 1
1 135 . 9 1 1 A 14 14 ARG CB C 14 29.000 29.803 -0.803 1
1 138 . 9 1 1 A 14 14 ARG N N 14 116.993 118.276 -1.283 1
1 139 . 9 1 1 A 15 15 GLU H H 15 7.924 7.478 0.446 1
1 140 . 9 1 1 A 15 15 GLU HA H 15 4.085 3.949 0.136 1
1 145 . 9 1 1 A 15 15 GLU CA C 15 59.312 59.291 0.021 1
1 146 . 9 1 1 A 15 15 GLU CB C 15 29.866 29.397 0.469 1
1 148 . 9 1 1 A 15 15 GLU N N 15 122.758 118.104 4.654 1
1 149 . 9 1 1 A 16 16 TRP H H 16 8.864 7.761 1.103 1
1 150 . 9 1 1 A 16 16 TRP HA H 16 4.740 4.563 0.177 1
1 158 . 9 1 1 A 16 16 TRP CA C 16 60.839 59.033 1.806 1
1 159 . 9 1 1 A 16 16 TRP CB C 16 26.693 28.177 -1.484 1
1 163 . 9 1 1 A 16 16 TRP N N 16 122.323 120.214 2.109 1
1 165 . 9 1 1 A 17 17 HIS H H 17 8.803 7.379 1.424 1
1 166 . 9 1 1 A 17 17 HIS HA H 17 3.076 4.349 -1.273 1
1 170 . 9 1 1 A 17 17 HIS CA C 17 60.683 59.380 1.303 1
1 171 . 9 1 1 A 17 17 HIS CB C 17 30.772 29.446 1.326 1
1 173 . 9 1 1 A 17 17 HIS N N 17 121.293 120.789 0.504 1
1 174 . 9 1 1 A 18 18 GLU H H 18 7.897 8.298 -0.401 1
1 175 . 9 1 1 A 18 18 GLU HA H 18 3.837 3.958 -0.121 1
1 180 . 9 1 1 A 18 18 GLU CA C 18 57.506 58.587 -1.081 1
1 181 . 9 1 1 A 18 18 GLU CB C 18 29.421 29.643 -0.222 1
1 183 . 9 1 1 A 18 18 GLU N N 18 118.162 119.486 -1.324 1
1 184 . 9 1 1 A 19 19 SER H H 19 7.461 7.502 -0.041 1
1 185 . 9 1 1 A 19 19 SER HA H 19 4.150 4.427 -0.277 1
1 188 . 9 1 1 A 19 19 SER CA C 19 60.000 60.485 -0.485 1
1 189 . 9 1 1 A 19 19 SER CB C 19 63.329 64.003 -0.674 1
1 190 . 9 1 1 A 19 19 SER N N 19 112.802 114.652 -1.850 1
1 191 . 9 1 1 A 20 20 ASN H H 20 6.638 7.694 -1.056 1
1 192 . 9 1 1 A 20 20 ASN HA H 20 4.226 4.459 -0.233 1
1 195 . 9 1 1 A 20 20 ASN CA C 20 53.211 55.300 -2.089 1
1 196 . 9 1 1 A 20 20 ASN CB C 20 37.021 37.033 -0.012 1
1 197 . 9 1 1 A 20 20 ASN N N 20 121.098 117.635 3.463 1
1 198 . 9 1 1 A 21 21 LYS H H 21 8.010 8.613 -0.603 1
1 199 . 9 1 1 A 21 21 LYS HA H 21 4.077 4.027 0.050 1
1 208 . 9 1 1 A 21 21 LYS CA C 21 56.558 57.024 -0.466 1
1 209 . 9 1 1 A 21 21 LYS CB C 21 32.435 33.853 -1.418 1
1 213 . 9 1 1 A 21 21 LYS N N 21 122.666 121.588 1.078 1
1 214 . 9 1 1 A 22 22 ARG H H 22 8.007 7.407 0.600 1
1 215 . 9 1 1 A 22 22 ARG HA H 22 4.257 4.177 0.080 1
1 222 . 9 1 1 A 22 22 ARG CA C 22 56.480 54.761 1.719 1
1 223 . 9 1 1 A 22 22 ARG CB C 22 30.000 30.438 -0.438 1
1 226 . 9 1 1 A 22 22 ARG N N 22 117.459 118.905 -1.446 1
1 227 . 9 1 1 A 23 23 TRP H H 23 7.211 8.305 -1.094 1
1 228 . 9 1 1 A 23 23 TRP HA H 23 4.938 4.766 0.172 1
1 237 . 9 1 1 A 23 23 TRP CA C 23 55.206 57.972 -2.766 1
1 238 . 9 1 1 A 23 23 TRP CB C 23 30.772 29.325 1.447 1
1 244 . 9 1 1 A 23 23 TRP N N 23 118.844 127.949 -9.105 1
1 246 . 9 1 1 A 24 24 SER H H 24 8.764 8.715 0.049 1
1 247 . 9 1 1 A 24 24 SER HA H 24 4.520 4.818 -0.298 1
1 250 . 9 1 1 A 24 24 SER CA C 24 57.647 57.646 0.001 1
1 251 . 9 1 1 A 24 24 SER CB C 24 64.419 66.201 -1.782 1
1 252 . 9 1 1 A 24 24 SER N N 24 117.454 120.837 -3.383 1
1 253 . 9 1 1 A 25 25 GLU H H 25 8.976 9.137 -0.161 1
1 254 . 9 1 1 A 25 25 GLU HA H 25 4.076 4.100 -0.024 1
1 259 . 9 1 1 A 25 25 GLU CA C 25 59.360 58.893 0.467 1
1 260 . 9 1 1 A 25 25 GLU CB C 25 28.960 29.073 -0.113 1
1 262 . 9 1 1 A 25 25 GLU N N 25 122.323 124.524 -2.201 1
1 263 . 9 1 1 A 26 26 ASP H H 26 8.608 8.323 0.285 1
1 264 . 9 1 1 A 26 26 ASP HA H 26 4.400 4.299 0.101 1
1 267 . 9 1 1 A 26 26 ASP CA C 26 56.327 56.814 -0.487 1
1 268 . 9 1 1 A 26 26 ASP CB C 26 40.700 39.684 1.016 1
1 269 . 9 1 1 A 26 26 ASP N N 26 118.165 119.393 -1.228 1
1 270 . 9 1 1 A 27 27 HIS H H 27 7.891 7.641 0.250 1
1 271 . 9 1 1 A 27 27 HIS HA H 27 4.247 4.314 -0.067 1
1 275 . 9 1 1 A 27 27 HIS CA C 27 58.271 59.405 -1.134 1
1 276 . 9 1 1 A 27 27 HIS CB C 27 30.483 29.750 0.733 1
1 278 . 9 1 1 A 27 27 HIS N N 27 120.183 117.905 2.278 1
1 279 . 9 1 1 A 28 28 ARG H H 28 8.676 7.781 0.895 1
1 280 . 9 1 1 A 28 28 ARG HA H 28 3.720 3.841 -0.121 1
1 287 . 9 1 1 A 28 28 ARG CA C 28 59.444 59.974 -0.530 1
1 288 . 9 1 1 A 28 28 ARG CB C 28 30.315 29.869 0.446 1
1 291 . 9 1 1 A 28 28 ARG N N 28 118.156 120.923 -2.767 1
1 292 . 9 1 1 A 29 29 SER H H 29 8.359 8.227 0.132 1
1 293 . 9 1 1 A 29 29 SER HA H 29 4.295 4.112 0.183 1
1 296 . 9 1 1 A 29 29 SER CA C 29 60.916 62.195 -1.279 1
1 297 . 9 1 1 A 29 29 SER CB C 29 62.629 62.932 -0.303 1
1 298 . 9 1 1 A 29 29 SER N N 29 115.374 117.173 -1.799 1
1 299 . 9 1 1 A 30 30 ARG H H 30 7.860 7.835 0.025 1
1 300 . 9 1 1 A 30 30 ARG HA H 30 3.850 4.195 -0.345 1
1 307 . 9 1 1 A 30 30 ARG CA C 30 59.162 58.693 0.469 1
1 308 . 9 1 1 A 30 30 ARG CB C 30 30.171 30.145 0.026 1
1 311 . 9 1 1 A 30 30 ARG N N 30 124.066 121.353 2.713 1
1 312 . 9 1 1 A 31 31 VAL H H 31 7.928 8.135 -0.207 1
1 313 . 9 1 1 A 31 31 VAL HA H 31 4.728 3.957 0.771 1
1 321 . 9 1 1 A 31 31 VAL CA C 31 66.054 65.581 0.473 1
1 322 . 9 1 1 A 31 31 VAL CB C 31 31.961 31.258 0.703 1
1 325 . 9 1 1 A 31 31 VAL N N 31 116.760 118.416 -1.656 1
1 326 . 9 1 1 A 32 32 LEU H H 32 7.314 7.862 -0.548 1
1 327 . 9 1 1 A 32 32 LEU HA H 32 3.867 4.130 -0.263 1
1 337 . 9 1 1 A 32 32 LEU CA C 32 57.406 58.726 -1.320 1
1 338 . 9 1 1 A 32 32 LEU CB C 32 40.912 41.647 -0.735 1
1 342 . 9 1 1 A 32 32 LEU N N 32 117.541 124.196 -6.655 1
1 343 . 9 1 1 A 33 33 ARG H H 33 7.914 8.244 -0.330 1
1 344 . 9 1 1 A 33 33 ARG HA H 33 4.070 4.304 -0.234 1
1 351 . 9 1 1 A 33 33 ARG CA C 33 58.815 59.445 -0.630 1
1 352 . 9 1 1 A 33 33 ARG CB C 33 29.393 29.981 -0.588 1
1 355 . 9 1 1 A 33 33 ARG N N 33 118.510 119.250 -0.740 1
1 356 . 9 1 1 A 34 34 TYR H H 34 8.211 8.046 0.165 1
1 357 . 9 1 1 A 34 34 TYR HA H 34 4.533 4.107 0.426 1
1 364 . 9 1 1 A 34 34 TYR CA C 34 59.593 61.295 -1.702 1
1 365 . 9 1 1 A 34 34 TYR CB C 34 37.021 39.080 -2.059 1
1 368 . 9 1 1 A 34 34 TYR N N 34 116.416 121.506 -5.090 1
1 369 . 9 1 1 A 35 35 LEU H H 35 7.904 8.355 -0.451 1
1 370 . 9 1 1 A 35 35 LEU HA H 35 3.670 3.903 -0.233 1
1 380 . 9 1 1 A 35 35 LEU CA C 35 57.967 58.114 -0.147 1
1 381 . 9 1 1 A 35 35 LEU CB C 35 40.740 41.348 -0.608 1
1 385 . 9 1 1 A 35 35 LEU N N 35 118.885 121.150 -2.265 1
1 386 . 9 1 1 A 36 36 GLU H H 36 8.662 7.734 0.928 1
1 387 . 9 1 1 A 36 36 GLU HA H 36 3.993 4.110 -0.117 1
1 392 . 9 1 1 A 36 36 GLU CA C 36 59.749 59.395 0.354 1
1 393 . 9 1 1 A 36 36 GLU CB C 36 29.887 29.492 0.395 1
1 395 . 9 1 1 A 36 36 GLU N N 36 120.936 118.334 2.602 1
1 396 . 9 1 1 A 37 37 LEU H H 37 8.195 7.248 0.947 1
1 397 . 9 1 1 A 37 37 LEU HA H 37 3.979 4.145 -0.166 1
1 407 . 9 1 1 A 37 37 LEU CA C 37 56.947 56.746 0.201 1
1 408 . 9 1 1 A 37 37 LEU CB C 37 42.936 43.342 -0.406 1
1 412 . 9 1 1 A 37 37 LEU N N 37 116.413 119.498 -3.085 1
1 413 . 9 1 1 A 38 38 TYR H H 38 7.663 7.604 0.059 1
1 414 . 9 1 1 A 38 38 TYR HA H 38 4.951 4.277 0.674 1
1 421 . 9 1 1 A 38 38 TYR CA C 38 58.581 59.167 -0.586 1
1 422 . 9 1 1 A 38 38 TYR CB C 38 41.068 38.770 2.298 1
1 425 . 9 1 1 A 38 38 TYR N N 38 110.509 120.142 -9.633 1
1 426 . 9 1 1 A 39 39 ILE H H 39 7.833 7.255 0.578 1
1 427 . 9 1 1 A 39 39 ILE HA H 39 4.642 4.286 0.356 1
1 437 . 9 1 1 A 39 39 ILE CA C 39 60.000 60.061 -0.061 1
1 438 . 9 1 1 A 39 39 ILE CB C 39 37.111 39.980 -2.869 1
1 442 . 9 1 1 A 39 39 ILE N N 39 116.068 118.584 -2.516 1
1 443 . 9 1 1 A 40 40 PHE H H 40 9.117 8.508 0.609 1
1 444 . 9 1 1 A 40 40 PHE HA H 40 4.634 4.096 0.538 1
1 452 . 9 1 1 A 40 40 PHE CA C 40 57.492 58.908 -1.416 1
1 453 . 9 1 1 A 40 40 PHE CB C 40 34.374 36.192 -1.818 1
1 457 . 9 1 1 A 40 40 PHE N N 40 121.241 124.983 -3.742 1
1 458 . 9 1 1 A 41 41 PRO HA H 41 4.388 4.304 0.084 1
1 465 . 9 1 1 A 41 41 PRO CA C 41 66.132 66.131 0.001 1
1 466 . 9 1 1 A 41 41 PRO CB C 41 31.261 31.216 0.045 1
1 469 . 9 1 1 A 42 42 HIS H H 42 7.153 8.150 -0.997 1
1 470 . 9 1 1 A 42 42 HIS HA H 42 4.678 4.686 -0.008 1
1 474 . 9 1 1 A 42 42 HIS CA C 42 57.336 56.239 1.097 1
1 475 . 9 1 1 A 42 42 HIS CB C 42 32.895 30.566 2.329 1
1 477 . 9 1 1 A 42 42 HIS N N 42 111.205 114.608 -3.403 1
1 478 . 9 1 1 A 43 43 ILE H H 43 7.327 7.778 -0.451 1
1 479 . 9 1 1 A 43 43 ILE HA H 43 4.938 4.411 0.527 1
1 489 . 9 1 1 A 43 43 ILE CA C 43 60.527 60.651 -0.124 1
1 490 . 9 1 1 A 43 43 ILE CB C 43 40.445 38.594 1.851 1
1 494 . 9 1 1 A 43 43 ILE N N 43 105.996 111.897 -5.901 1
1 495 . 9 1 1 A 44 44 GLY H H 44 8.958 8.160 0.798 1
1 496 . 9 1 1 A 44 44 GLY HA2 H 44 4.340 3.915 0.425 1
1 497 . 9 1 1 A 44 44 GLY HA3 H 44 3.855 4.029 -0.174 1
1 498 . 9 1 1 A 44 44 GLY CA C 44 48.385 45.460 2.925 1
1 499 . 9 1 1 A 44 44 GLY N N 44 110.704 112.141 -1.437 1
1 500 . 9 1 1 A 45 45 SER H H 45 8.294 8.077 0.217 1
1 501 . 9 1 1 A 45 45 SER HA H 45 4.517 4.490 0.027 1
1 504 . 9 1 1 A 45 45 SER CA C 45 58.270 57.821 0.449 1
1 505 . 9 1 1 A 45 45 SER CB C 45 63.563 64.240 -0.677 1
1 506 . 9 1 1 A 45 45 SER N N 45 110.505 112.888 -2.383 1
1 507 . 9 1 1 A 46 46 SER H H 46 7.689 7.812 -0.123 1
1 508 . 9 1 1 A 46 46 SER HA H 46 4.322 4.847 -0.525 1
1 511 . 9 1 1 A 46 46 SER CA C 46 59.282 57.974 1.308 1
1 512 . 9 1 1 A 46 46 SER CB C 46 63.719 64.863 -1.144 1
1 513 . 9 1 1 A 46 46 SER N N 46 119.190 117.542 1.648 1
1 514 . 9 1 1 A 47 47 ASP H H 47 8.646 8.685 -0.039 1
1 515 . 9 1 1 A 47 47 ASP HA H 47 4.446 4.525 -0.079 1
1 518 . 9 1 1 A 47 47 ASP CA C 47 54.145 54.523 -0.378 1
1 519 . 9 1 1 A 47 47 ASP CB C 47 41.652 41.834 -0.182 1
1 520 . 9 1 1 A 47 47 ASP N N 47 124.868 123.089 1.779 1
1 521 . 9 1 1 A 48 48 ILE H H 48 9.406 8.222 1.184 1
1 522 . 9 1 1 A 48 48 ILE HA H 48 4.091 4.000 0.091 1
1 532 . 9 1 1 A 48 48 ILE CA C 48 63.844 62.998 0.846 1
1 533 . 9 1 1 A 48 48 ILE CB C 48 39.845 37.825 2.020 1
1 537 . 9 1 1 A 48 48 ILE N N 48 129.573 125.026 4.547 1
1 538 . 9 1 1 A 49 49 ARG H H 49 9.004 8.056 0.948 1
1 539 . 9 1 1 A 49 49 ARG HA H 49 4.166 4.203 -0.037 1
1 546 . 9 1 1 A 49 49 ARG CA C 49 57.534 58.706 -1.172 1
1 547 . 9 1 1 A 49 49 ARG CB C 49 29.870 30.407 -0.537 1
1 548 . 9 1 1 A 49 49 ARG N N 49 119.541 121.401 -1.860 1
1 549 . 9 1 1 A 50 50 GLN H H 50 7.868 7.575 0.293 1
1 550 . 9 1 1 A 50 50 GLN HA H 50 4.498 4.448 0.050 1
1 557 . 9 1 1 A 50 50 GLN CA C 50 54.633 54.401 0.232 1
1 558 . 9 1 1 A 50 50 GLN CB C 50 29.548 28.683 0.865 1
1 560 . 9 1 1 A 50 50 GLN N N 50 114.374 119.650 -5.276 1
1 562 . 9 1 1 A 51 51 LEU H H 51 6.799 8.857 -2.058 1
1 563 . 9 1 1 A 51 51 LEU HA H 51 4.516 4.708 -0.192 1
1 573 . 9 1 1 A 51 51 LEU CA C 51 54.519 54.113 0.406 1
1 574 . 9 1 1 A 51 51 LEU CB C 51 43.014 44.309 -1.295 1
1 578 . 9 1 1 A 51 51 LEU N N 51 119.548 127.811 -8.263 1
1 579 . 9 1 1 A 52 52 LYS H H 52 10.373 8.291 2.082 1
1 580 . 9 1 1 A 52 52 LYS HA H 52 4.725 4.419 0.306 1
1 589 . 9 1 1 A 52 52 LYS CA C 52 53.806 55.929 -2.123 1
1 590 . 9 1 1 A 52 52 LYS CB C 52 34.394 33.360 1.034 1
1 594 . 9 1 1 A 52 52 LYS N N 52 125.943 125.795 0.148 1
1 595 . 9 1 1 A 53 53 THR H H 53 8.724 8.721 0.003 1
1 596 . 9 1 1 A 53 53 THR HA H 53 4.727 4.695 0.032 1
1 601 . 9 1 1 A 53 53 THR CA C 53 57.570 61.078 -3.508 1
1 602 . 9 1 1 A 53 53 THR CB C 53 68.467 69.831 -1.364 1
1 604 . 9 1 1 A 53 53 THR N N 53 117.533 117.460 0.073 1
1 605 . 9 1 1 A 54 54 SER H H 54 8.416 8.868 -0.452 1
1 606 . 9 1 1 A 54 54 SER HA H 54 4.743 4.289 0.454 1
1 609 . 9 1 1 A 54 54 SER CA C 54 61.306 61.241 0.065 1
1 610 . 9 1 1 A 54 54 SER CB C 54 61.132 62.802 -1.670 1
1 611 . 9 1 1 A 54 54 SER N N 54 112.941 117.512 -4.571 1
1 612 . 9 1 1 A 55 55 HIS H H 55 7.077 7.883 -0.806 1
1 613 . 9 1 1 A 55 55 HIS HA H 55 4.425 4.294 0.131 1
1 617 . 9 1 1 A 55 55 HIS CA C 55 58.659 59.253 -0.594 1
1 618 . 9 1 1 A 55 55 HIS CB C 55 33.051 29.767 3.284 1
1 620 . 9 1 1 A 55 55 HIS N N 55 120.680 118.794 1.886 1
1 621 . 9 1 1 A 56 56 LEU H H 56 7.410 7.631 -0.221 1
1 622 . 9 1 1 A 56 56 LEU HA H 56 3.916 4.052 -0.136 1
1 632 . 9 1 1 A 56 56 LEU CA C 56 56.558 57.317 -0.759 1
1 633 . 9 1 1 A 56 56 LEU CB C 56 42.547 41.383 1.164 1
1 637 . 9 1 1 A 56 56 LEU N N 56 115.029 115.619 -0.590 1
1 638 . 9 1 1 A 57 57 LEU H H 57 7.906 7.790 0.116 1
1 639 . 9 1 1 A 57 57 LEU HA H 57 4.073 4.120 -0.047 1
1 649 . 9 1 1 A 57 57 LEU CA C 57 56.047 57.167 -1.120 1
1 650 . 9 1 1 A 57 57 LEU CB C 57 42.575 41.392 1.183 1
1 654 . 9 1 1 A 57 57 LEU N N 57 113.214 122.008 -8.794 1
1 655 . 9 1 1 A 58 58 ALA H H 58 7.367 8.246 -0.879 1
1 656 . 9 1 1 A 58 58 ALA HA H 58 4.176 4.009 0.167 1
1 660 . 9 1 1 A 58 58 ALA CA C 58 57.049 57.269 -0.220 1
1 661 . 9 1 1 A 58 58 ALA CB C 58 15.362 17.043 -1.681 1
1 662 . 9 1 1 A 58 58 ALA N N 58 120.662 121.811 -1.149 1
1 663 . 9 1 1 A 59 59 PRO HA H 59 4.133 4.330 -0.197 1
1 670 . 9 1 1 A 59 59 PRO CA C 59 65.120 65.535 -0.415 1
1 671 . 9 1 1 A 59 59 PRO CB C 59 31.183 30.675 0.508 1
1 674 . 9 1 1 A 60 60 ILE H H 60 6.643 7.502 -0.859 1
1 675 . 9 1 1 A 60 60 ILE HA H 60 3.383 3.813 -0.430 1
1 685 . 9 1 1 A 60 60 ILE CA C 60 64.886 63.676 1.210 1
1 686 . 9 1 1 A 60 60 ILE CB C 60 37.799 36.916 0.883 1
1 690 . 9 1 1 A 60 60 ILE N N 60 117.809 116.596 1.213 1
1 691 . 9 1 1 A 61 61 LYS H H 61 8.635 8.149 0.486 1
1 692 . 9 1 1 A 61 61 LYS HA H 61 3.992 4.473 -0.481 1
1 701 . 9 1 1 A 61 61 LYS CA C 61 59.048 58.835 0.213 1
1 702 . 9 1 1 A 61 61 LYS CB C 61 31.678 31.979 -0.301 1
1 706 . 9 1 1 A 61 61 LYS N N 61 120.585 123.236 -2.651 1
1 707 . 9 1 1 A 62 62 GLU H H 62 7.664 7.572 0.092 1
1 708 . 9 1 1 A 62 62 GLU HA H 62 3.992 4.150 -0.158 1
1 713 . 9 1 1 A 62 62 GLU CA C 62 59.593 58.957 0.636 1
1 714 . 9 1 1 A 62 62 GLU CB C 62 28.975 29.302 -0.327 1
1 716 . 9 1 1 A 62 62 GLU N N 62 118.505 118.793 -0.288 1
1 717 . 9 1 1 A 63 63 VAL H H 63 7.227 7.941 -0.714 1
1 718 . 9 1 1 A 63 63 VAL HA H 63 3.545 3.542 0.003 1
1 726 . 9 1 1 A 63 63 VAL CA C 63 65.663 66.581 -0.918 1
1 727 . 9 1 1 A 63 63 VAL CB C 63 31.650 31.407 0.243 1
1 730 . 9 1 1 A 63 63 VAL N N 63 119.540 120.587 -1.047 1
1 731 . 9 1 1 A 64 64 ASP H H 64 8.281 8.046 0.235 1
1 732 . 9 1 1 A 64 64 ASP HA H 64 3.984 4.386 -0.402 1
1 735 . 9 1 1 A 64 64 ASP CA C 64 58.860 56.927 1.933 1
1 736 . 9 1 1 A 64 64 ASP CB C 64 42.561 39.709 2.852 1
1 737 . 9 1 1 A 64 64 ASP N N 64 122.316 119.774 2.542 1
1 738 . 9 1 1 A 65 65 THR H H 65 8.818 7.840 0.978 1
1 739 . 9 1 1 A 65 65 THR HA H 65 4.310 4.080 0.230 1
1 744 . 9 1 1 A 65 65 THR CA C 65 68.825 66.314 2.511 1
1 745 . 9 1 1 A 65 65 THR CB C 65 65.195 69.002 -3.807 1
1 747 . 9 1 1 A 65 65 THR N N 65 112.808 116.954 -4.146 1
1 748 . 9 1 1 A 66 66 SER H H 66 7.596 8.456 -0.860 1
1 749 . 9 1 1 A 66 66 SER HA H 66 4.469 4.666 -0.197 1
1 752 . 9 1 1 A 66 66 SER CA C 66 59.827 58.427 1.400 1
1 753 . 9 1 1 A 66 66 SER CB C 66 63.641 63.732 -0.091 1
1 754 . 9 1 1 A 66 66 SER N N 66 116.412 113.480 2.932 1
1 755 . 9 1 1 A 67 67 GLY H H 67 7.781 7.684 0.097 1
1 756 . 9 1 1 A 67 67 GLY HA2 H 67 4.467 4.153 0.314 1
1 757 . 9 1 1 A 67 67 GLY HA3 H 67 3.355 4.168 -0.813 1
1 758 . 9 1 1 A 67 67 GLY CA C 67 44.337 45.942 -1.605 1
1 759 . 9 1 1 A 67 67 GLY N N 67 108.565 108.140 0.425 1
1 760 . 9 1 1 A 68 68 LYS H H 68 6.932 8.518 -1.586 1
1 761 . 9 1 1 A 68 68 LYS HA H 68 4.706 4.324 0.382 1
1 770 . 9 1 1 A 68 68 LYS CA C 68 54.145 54.750 -0.605 1
1 771 . 9 1 1 A 68 68 LYS CB C 68 30.325 31.037 -0.712 1
1 775 . 9 1 1 A 68 68 LYS N N 68 121.979 122.685 -0.706 1
1 776 . 9 1 1 A 69 69 HIS H H 69 7.630 7.565 0.065 1
1 777 . 9 1 1 A 69 69 HIS HA H 69 4.544 4.321 0.223 1
1 780 . 9 1 1 A 69 69 HIS CA C 69 58.270 58.876 -0.606 1
1 781 . 9 1 1 A 69 69 HIS CB C 69 28.303 29.202 -0.899 1
1 782 . 9 1 1 A 69 69 HIS N N 69 119.617 120.984 -1.367 1
1 783 . 9 1 1 A 70 70 ASP H H 70 8.779 8.022 0.757 1
1 784 . 9 1 1 A 70 70 ASP HA H 70 4.330 4.384 -0.054 1
1 787 . 9 1 1 A 70 70 ASP CA C 70 56.869 57.493 -0.624 1
1 788 . 9 1 1 A 70 70 ASP CB C 70 39.433 41.388 -1.955 1
1 789 . 9 1 1 A 70 70 ASP N N 70 118.586 121.399 -2.813 1
1 790 . 9 1 1 A 71 71 VAL H H 71 7.575 8.045 -0.470 1
1 791 . 9 1 1 A 71 71 VAL HA H 71 3.232 3.590 -0.358 1
1 799 . 9 1 1 A 71 71 VAL CA C 71 66.131 66.377 -0.246 1
1 800 . 9 1 1 A 71 71 VAL CB C 71 31.105 31.519 -0.414 1
1 803 . 9 1 1 A 71 71 VAL N N 71 121.186 118.810 2.376 1
1 804 . 9 1 1 A 72 72 ALA H H 72 8.022 8.468 -0.446 1
1 805 . 9 1 1 A 72 72 ALA HA H 72 3.682 3.979 -0.297 1
1 809 . 9 1 1 A 72 72 ALA CA C 72 55.702 55.349 0.353 1
1 810 . 9 1 1 A 72 72 ALA CB C 72 18.028 18.257 -0.229 1
1 811 . 9 1 1 A 72 72 ALA N N 72 120.675 122.209 -1.534 1
1 812 . 9 1 1 A 73 73 GLN H H 73 7.793 7.855 -0.062 1
1 813 . 9 1 1 A 73 73 GLN HA H 73 3.971 3.968 0.003 1
1 820 . 9 1 1 A 73 73 GLN CA C 73 58.872 59.079 -0.207 1
1 821 . 9 1 1 A 73 73 GLN CB C 73 28.073 28.456 -0.383 1
1 823 . 9 1 1 A 73 73 GLN N N 73 115.949 118.395 -2.446 1
1 825 . 9 1 1 A 74 74 ARG H H 74 7.795 7.556 0.239 1
1 826 . 9 1 1 A 74 74 ARG HA H 74 4.108 4.142 -0.034 1
1 833 . 9 1 1 A 74 74 ARG CA C 74 59.282 58.995 0.287 1
1 834 . 9 1 1 A 74 74 ARG CB C 74 29.857 29.803 0.054 1
1 837 . 9 1 1 A 74 74 ARG N N 74 119.896 119.285 0.611 1
1 838 . 9 1 1 A 75 75 LEU H H 75 8.850 8.445 0.405 1
1 839 . 9 1 1 A 75 75 LEU HA H 75 3.935 4.153 -0.218 1
1 849 . 9 1 1 A 75 75 LEU CA C 75 57.803 57.310 0.493 1
1 850 . 9 1 1 A 75 75 LEU CB C 75 42.858 41.176 1.682 1
1 854 . 9 1 1 A 75 75 LEU N N 75 118.044 119.464 -1.420 1
1 855 . 9 1 1 A 76 76 GLN H H 76 8.412 8.622 -0.210 1
1 856 . 9 1 1 A 76 76 GLN HA H 76 3.790 4.016 -0.226 1
1 861 . 9 1 1 A 76 76 GLN CA C 76 60.294 58.965 1.329 1
1 862 . 9 1 1 A 76 76 GLN CB C 76 27.995 27.890 0.105 1
1 864 . 9 1 1 A 76 76 GLN N N 76 119.109 118.028 1.081 1
1 865 . 9 1 1 A 77 77 GLN H H 77 7.788 7.711 0.077 1
1 866 . 9 1 1 A 77 77 GLN HA H 77 4.090 4.075 0.015 1
1 873 . 9 1 1 A 77 77 GLN CA C 77 59.318 58.291 1.027 1
1 874 . 9 1 1 A 77 77 GLN CB C 77 28.054 28.577 -0.523 1
1 876 . 9 1 1 A 77 77 GLN N N 77 119.616 119.046 0.570 1
1 878 . 9 1 1 A 78 78 ARG H H 78 8.552 8.270 0.282 1
1 879 . 9 1 1 A 78 78 ARG HA H 78 4.171 4.049 0.122 1
1 886 . 9 1 1 A 78 78 ARG CA C 78 57.946 58.831 -0.885 1
1 887 . 9 1 1 A 78 78 ARG CB C 78 28.958 30.193 -1.235 1
1 890 . 9 1 1 A 78 78 ARG N N 78 118.044 118.564 -0.520 1
1 891 . 9 1 1 A 79 79 VAL H H 79 8.958 7.665 1.293 1
1 892 . 9 1 1 A 79 79 VAL HA H 79 3.603 3.853 -0.250 1
1 900 . 9 1 1 A 79 79 VAL CA C 79 67.284 66.020 1.264 1
1 901 . 9 1 1 A 79 79 VAL CB C 79 31.228 31.438 -0.210 1
1 904 . 9 1 1 A 79 79 VAL N N 79 116.998 120.749 -3.751 1
1 905 . 9 1 1 A 80 80 THR H H 80 7.938 8.004 -0.066 1
1 906 . 9 1 1 A 80 80 THR HA H 80 4.301 3.937 0.364 1
1 911 . 9 1 1 A 80 80 THR CA C 80 67.976 66.439 1.537 1
1 912 . 9 1 1 A 80 80 THR CB C 80 67.466 68.638 -1.172 1
1 914 . 9 1 1 A 80 80 THR N N 80 115.701 116.732 -1.031 1
1 915 . 9 1 1 A 81 81 ALA H H 81 7.656 7.697 -0.041 1
1 916 . 9 1 1 A 81 81 ALA HA H 81 4.070 4.093 -0.023 1
1 920 . 9 1 1 A 81 81 ALA CA C 81 55.232 55.048 0.184 1
1 921 . 9 1 1 A 81 81 ALA CB C 81 18.087 18.147 -0.060 1
1 922 . 9 1 1 A 81 81 ALA N N 81 124.407 122.763 1.644 1
1 923 . 9 1 1 A 82 82 ILE H H 82 7.901 8.338 -0.437 1
1 924 . 9 1 1 A 82 82 ILE HA H 82 2.733 3.920 -1.187 1
1 934 . 9 1 1 A 82 82 ILE CA C 82 65.450 65.138 0.312 1
1 935 . 9 1 1 A 82 82 ILE CB C 82 37.569 37.814 -0.245 1
1 939 . 9 1 1 A 82 82 ILE N N 82 121.196 119.068 2.128 1
1 940 . 9 1 1 A 83 83 MET H H 83 8.258 8.475 -0.217 1
1 941 . 9 1 1 A 83 83 MET HA H 83 4.556 4.107 0.449 1
1 949 . 9 1 1 A 83 83 MET CA C 83 56.403 58.923 -2.520 1
1 950 . 9 1 1 A 83 83 MET CB C 83 29.782 31.743 -1.961 1
1 953 . 9 1 1 A 83 83 MET N N 83 120.154 119.967 0.187 1
1 954 . 9 1 1 A 84 84 ARG H H 84 7.915 7.725 0.190 1
1 955 . 9 1 1 A 84 84 ARG HA H 84 4.039 4.007 0.032 1
1 962 . 9 1 1 A 84 84 ARG CA C 84 59.749 59.121 0.628 1
1 963 . 9 1 1 A 84 84 ARG CB C 84 30.000 30.092 -0.092 1
1 966 . 9 1 1 A 84 84 ARG N N 84 116.534 119.906 -3.372 1
1 967 . 9 1 1 A 85 85 TYR H H 85 8.221 8.275 -0.054 1
1 968 . 9 1 1 A 85 85 TYR HA H 85 4.255 4.669 -0.414 1
1 975 . 9 1 1 A 85 85 TYR CA C 85 61.382 60.753 0.629 1
1 976 . 9 1 1 A 85 85 TYR CB C 85 38.499 37.628 0.871 1
1 979 . 9 1 1 A 85 85 TYR N N 85 122.313 119.621 2.692 1
1 980 . 9 1 1 A 86 86 ALA H H 86 8.804 8.314 0.490 1
1 981 . 9 1 1 A 86 86 ALA HA H 86 4.223 4.394 -0.171 1
1 985 . 9 1 1 A 86 86 ALA CA C 86 55.043 55.322 -0.279 1
1 986 . 9 1 1 A 86 86 ALA CB C 86 18.087 18.462 -0.375 1
1 987 . 9 1 1 A 86 86 ALA N N 86 123.291 122.943 0.348 1
1 988 . 9 1 1 A 87 87 VAL H H 87 8.113 7.719 0.394 1
1 989 . 9 1 1 A 87 87 VAL HA H 87 4.170 3.735 0.435 1
1 997 . 9 1 1 A 87 87 VAL CA C 87 65.146 66.697 -1.551 1
1 998 . 9 1 1 A 87 87 VAL CB C 87 31.897 31.911 -0.014 1
1 1001 . 9 1 1 A 87 87 VAL N N 87 120.144 117.971 2.173 1
1 1002 . 9 1 1 A 88 88 GLN H H 88 8.458 8.531 -0.073 1
1 1003 . 9 1 1 A 88 88 GLN HA H 88 3.983 4.062 -0.079 1
1 1010 . 9 1 1 A 88 88 GLN CA C 88 58.270 58.661 -0.391 1
1 1011 . 9 1 1 A 88 88 GLN CB C 88 28.075 28.535 -0.460 1
1 1013 . 9 1 1 A 88 88 GLN N N 88 120.751 119.314 1.437 1
1 1015 . 9 1 1 A 89 89 ASN H H 89 7.359 7.743 -0.384 1
1 1016 . 9 1 1 A 89 89 ASN HA H 89 4.486 4.847 -0.361 1
1 1021 . 9 1 1 A 89 89 ASN CA C 89 53.444 52.824 0.620 1
1 1022 . 9 1 1 A 89 89 ASN CB C 89 38.932 38.622 0.310 1
1 1023 . 9 1 1 A 89 89 ASN N N 89 113.850 115.071 -1.221 1
1 1025 . 9 1 1 A 90 90 ASP H H 90 7.849 8.063 -0.214 1
1 1026 . 9 1 1 A 90 90 ASP HA H 90 4.387 4.258 0.129 1
1 1029 . 9 1 1 A 90 90 ASP CA C 90 55.935 55.256 0.679 1
1 1030 . 9 1 1 A 90 90 ASP CB C 90 38.811 38.835 -0.024 1
1 1031 . 9 1 1 A 90 90 ASP N N 90 113.293 116.065 -2.772 1
1 1032 . 9 1 1 A 91 91 TYR H H 91 8.489 8.658 -0.169 1
1 1033 . 9 1 1 A 91 91 TYR HA H 91 4.589 4.723 -0.134 1
1 1040 . 9 1 1 A 91 91 TYR CA C 91 60.000 59.222 0.778 1
1 1041 . 9 1 1 A 91 91 TYR CB C 91 38.811 40.514 -1.703 1
1 1044 . 9 1 1 A 91 91 TYR N N 91 116.072 116.420 -0.348 1
1 1045 . 9 1 1 A 92 92 ILE H H 92 7.131 7.809 -0.678 1
1 1046 . 9 1 1 A 92 92 ILE HA H 92 4.684 4.695 -0.011 1
1 1056 . 9 1 1 A 92 92 ILE CA C 92 59.126 59.368 -0.242 1
1 1057 . 9 1 1 A 92 92 ILE CB C 92 41.846 40.627 1.219 1
1 1061 . 9 1 1 A 92 92 ILE N N 92 107.409 116.653 -9.244 1
1 1062 . 9 1 1 A 93 93 ASP H H 93 8.731 8.915 -0.184 1
1 1063 . 9 1 1 A 93 93 ASP HA H 93 4.707 5.001 -0.294 1
1 1066 . 9 1 1 A 93 93 ASP CA C 93 54.689 54.246 0.443 1
1 1067 . 9 1 1 A 93 93 ASP CB C 93 41.924 42.058 -0.134 1
1 1068 . 9 1 1 A 93 93 ASP N N 93 118.847 120.324 -1.477 1
1 1069 . 9 1 1 A 94 94 SER H H 94 7.638 7.755 -0.117 1
1 1070 . 9 1 1 A 94 94 SER HA H 94 4.491 4.748 -0.257 1
1 1073 . 9 1 1 A 94 94 SER CA C 94 57.102 57.289 -0.187 1
1 1074 . 9 1 1 A 94 94 SER CB C 94 64.186 64.870 -0.684 1
1 1075 . 9 1 1 A 94 94 SER N N 94 112.240 113.232 -0.992 1
1 1076 . 9 1 1 A 95 95 ASN H H 95 8.801 8.796 0.005 1
1 1077 . 9 1 1 A 95 95 ASN HA H 95 4.942 5.508 -0.566 1
1 1082 . 9 1 1 A 95 95 ASN CA C 95 49.941 50.267 -0.326 1
1 1083 . 9 1 1 A 95 95 ASN CB C 95 39.356 39.653 -0.297 1
1 1084 . 9 1 1 A 95 95 ASN N N 95 119.551 123.066 -3.515 1
1 1086 . 9 1 1 A 96 96 PRO HA H 96 4.632 4.335 0.297 1
1 1093 . 9 1 1 A 96 96 PRO CA C 96 63.564 65.140 -1.576 1
1 1094 . 9 1 1 A 96 96 PRO CB C 96 32.058 32.055 0.003 1
1 1097 . 9 1 1 A 97 97 ALA H H 97 8.335 7.931 0.404 1
1 1098 . 9 1 1 A 97 97 ALA HA H 97 4.436 4.608 -0.172 1
1 1102 . 9 1 1 A 97 97 ALA CA C 97 52.055 51.680 0.375 1
1 1103 . 9 1 1 A 97 97 ALA CB C 97 18.998 19.631 -0.633 1
1 1104 . 9 1 1 A 97 97 ALA N N 97 121.226 119.391 1.835 1
1 1105 . 9 1 1 A 98 98 SER H H 98 7.600 8.089 -0.489 1
1 1106 . 9 1 1 A 98 98 SER HA H 98 4.168 3.989 0.179 1
1 1109 . 9 1 1 A 98 98 SER CA C 98 60.372 61.670 -1.298 1
1 1110 . 9 1 1 A 98 98 SER CB C 98 63.018 63.181 -0.163 1
1 1111 . 9 1 1 A 98 98 SER N N 98 114.935 115.992 -1.057 1
1 1112 . 9 1 1 A 99 99 ASP H H 99 8.098 7.842 0.256 1
1 1113 . 9 1 1 A 99 99 ASP HA H 99 4.760 4.666 0.094 1
1 1116 . 9 1 1 A 99 99 ASP CA C 99 54.300 56.279 -1.979 1
1 1117 . 9 1 1 A 99 99 ASP CB C 99 40.835 42.370 -1.535 1
1 1118 . 9 1 1 A 99 99 ASP N N 99 119.889 120.904 -1.015 1
1 1119 . 9 1 1 A 100 100 MET H H 100 7.885 8.155 -0.270 1
1 1120 . 9 1 1 A 100 100 MET HA H 100 4.205 4.707 -0.502 1
1 1128 . 9 1 1 A 100 100 MET CA C 100 57.025 57.389 -0.364 1
1 1129 . 9 1 1 A 100 100 MET CB C 100 33.038 32.322 0.716 1
1 1132 . 9 1 1 A 100 100 MET N N 100 119.185 118.294 0.891 1
1 1133 . 9 1 1 A 101 101 ALA H H 101 8.041 8.674 -0.633 1
1 1134 . 9 1 1 A 101 101 ALA HA H 101 4.137 4.097 0.040 1
1 1138 . 9 1 1 A 101 101 ALA CA C 101 53.655 54.477 -0.822 1
1 1139 . 9 1 1 A 101 101 ALA CB C 101 18.537 19.118 -0.581 1
1 1140 . 9 1 1 A 101 101 ALA N N 101 122.264 121.914 0.350 1
1 1141 . 9 1 1 A 102 102 GLY H H 102 8.293 8.240 0.053 1
1 1142 . 9 1 1 A 102 102 GLY HA2 H 102 3.910 3.904 0.006 1
1 1143 . 9 1 1 A 102 102 GLY HA3 H 102 3.913 3.908 0.005 1
1 1144 . 9 1 1 A 102 102 GLY CA C 102 45.664 47.246 -1.582 1
1 1145 . 9 1 1 A 102 102 GLY N N 102 107.557 105.415 2.142 1
1 1146 . 9 1 1 A 103 103 ALA H H 103 7.955 8.291 -0.336 1
1 1147 . 9 1 1 A 103 103 ALA HA H 103 4.235 4.725 -0.490 1
1 1151 . 9 1 1 A 103 103 ALA CA C 103 53.423 50.797 2.626 1
1 1152 . 9 1 1 A 103 103 ALA CB C 103 19.219 20.499 -1.280 1
1 1153 . 9 1 1 A 103 103 ALA N N 103 123.285 127.087 -3.802 1
1 1154 . 9 1 1 A 104 104 LEU H H 104 8.145 8.584 -0.439 1
1 1155 . 9 1 1 A 104 104 LEU HA H 104 4.301 3.968 0.333 1
1 1165 . 9 1 1 A 104 104 LEU CA C 104 55.312 58.345 -3.033 1
1 1166 . 9 1 1 A 104 104 LEU CB C 104 41.644 42.056 -0.412 1
1 1170 . 9 1 1 A 104 104 LEU N N 104 118.570 127.450 -8.880 1
1 1171 . 9 1 1 A 105 105 SER H H 105 8.040 7.705 0.335 1
1 1172 . 9 1 1 A 105 105 SER HA H 105 4.390 4.761 -0.371 1
1 1175 . 9 1 1 A 105 105 SER CA C 105 58.893 59.498 -0.605 1
1 1176 . 9 1 1 A 105 105 SER CB C 105 63.424 65.086 -1.662 1
1 1177 . 9 1 1 A 105 105 SER N N 105 115.022 112.210 2.812 1
1 1178 . 9 1 1 A 106 106 THR H H 106 8.032 7.858 0.174 1
1 1179 . 9 1 1 A 106 106 THR HA H 106 4.293 4.673 -0.380 1
1 1184 . 9 1 1 A 106 106 THR CA C 106 62.037 60.633 1.404 1
1 1185 . 9 1 1 A 106 106 THR CB C 106 69.401 71.103 -1.702 1
1 1187 . 9 1 1 A 106 106 THR N N 106 115.371 110.614 4.757 1
1 1188 . 9 1 1 A 107 107 THR H H 107 7.940 8.641 -0.701 1
1 1189 . 9 1 1 A 107 107 THR HA H 107 4.296 4.327 -0.031 1
1 1194 . 9 1 1 A 107 107 THR CA C 107 61.539 63.292 -1.753 1
1 1195 . 9 1 1 A 107 107 THR CB C 107 61.610 69.179 -7.569 1
1 1197 . 9 1 1 A 107 107 THR N N 107 122.759 116.693 6.066 1
1 1198 . 9 1 1 A 108 108 LYS H H 108 8.240 7.825 0.415 1
1 1199 . 9 1 1 A 108 108 LYS HA H 108 4.241 4.820 -0.579 1
1 1208 . 9 1 1 A 108 108 LYS CA C 108 56.324 55.147 1.177 1
1 1209 . 9 1 1 A 108 108 LYS CB C 108 32.817 35.582 -2.765 1
1 1213 . 9 1 1 A 108 108 LYS N N 108 124.773 120.319 4.454 1
1 1214 . 9 1 1 A 109 109 ALA H H 109 8.131 8.709 -0.578 1
1 1215 . 9 1 1 A 109 109 ALA HA H 109 4.224 4.435 -0.211 1
1 1219 . 9 1 1 A 109 109 ALA CA C 109 52.432 53.248 -0.816 1
1 1220 . 9 1 1 A 109 109 ALA CB C 109 19.017 19.986 -0.969 1
1 1221 . 9 1 1 A 109 109 ALA N N 109 124.331 126.793 -2.462 1
1 1222 . 9 1 1 A 110 110 ARG H H 110 8.114 7.421 0.693 1
1 1223 . 9 1 1 A 110 110 ARG HA H 110 4.191 4.506 -0.315 1
1 1230 . 9 1 1 A 110 110 ARG CA C 110 56.013 55.542 0.471 1
1 1231 . 9 1 1 A 110 110 ARG CB C 110 30.871 33.523 -2.652 1
1 1234 . 9 1 1 A 110 110 ARG N N 110 119.544 115.016 4.528 1
1 1235 . 9 1 1 A 111 111 HIS H H 111 8.283 9.101 -0.818 1
1 1236 . 9 1 1 A 111 111 HIS HA H 111 4.604 4.772 -0.168 1
1 1240 . 9 1 1 A 111 111 HIS CA C 111 55.448 57.247 -1.799 1
1 1241 . 9 1 1 A 111 111 HIS CB C 111 29.866 32.034 -2.168 1
1 1243 . 9 1 1 A 111 111 HIS N N 111 119.886 122.447 -2.561 1
1 1244 . 9 1 1 A 112 112 TYR H H 112 8.179 7.657 0.522 1
1 1245 . 9 1 1 A 112 112 TYR HA H 112 4.766 4.949 -0.183 1
1 1252 . 9 1 1 A 112 112 TYR CA C 112 55.701 55.624 0.077 1
1 1253 . 9 1 1 A 112 112 TYR CB C 112 38.110 40.101 -1.991 1
1 1256 . 9 1 1 A 112 112 TYR N N 112 122.673 114.417 8.256 1
1 1257 . 9 1 1 A 113 113 PRO HA H 113 4.399 4.622 -0.223 1
1 1264 . 9 1 1 A 113 113 PRO CA C 113 63.097 62.361 0.736 1
1 1265 . 9 1 1 A 113 113 PRO CB C 113 31.684 33.341 -1.657 1
1 1268 . 9 1 1 A 114 114 LEU H H 114 8.225 8.696 -0.471 1
1 1269 . 9 1 1 A 114 114 LEU HA H 114 4.265 4.365 -0.100 1
1 1279 . 9 1 1 A 114 114 LEU CA C 114 55.069 57.553 -2.484 1
1 1280 . 9 1 1 A 114 114 LEU CB C 114 42.104 42.335 -0.231 1
1 1284 . 9 1 1 A 114 114 LEU N N 114 121.625 120.590 1.035 1
1 1285 . 9 1 1 A 115 115 GLU H H 115 8.273 8.038 0.235 1
1 1286 . 9 1 1 A 115 115 GLU HA H 115 4.202 4.853 -0.651 1
1 1291 . 9 1 1 A 115 115 GLU CA C 115 56.402 55.530 0.872 1
1 1292 . 9 1 1 A 115 115 GLU CB C 115 30.249 30.719 -0.470 1
1 5 . 10 1 1 A 2 2 GLU HA H 2 4.399 4.097 0.302 1
1 10 . 10 1 1 A 2 2 GLU CA C 2 56.358 59.617 -3.259 1
1 11 . 10 1 1 A 2 2 GLU CB C 2 30.249 30.211 0.038 1
1 13 . 10 1 1 A 3 3 ASN H H 3 8.699 8.178 0.521 1
1 14 . 10 1 1 A 3 3 ASN HA H 3 4.753 5.092 -0.339 1
1 19 . 10 1 1 A 3 3 ASN CA C 3 53.211 51.895 1.316 1
1 20 . 10 1 1 A 3 3 ASN CB C 3 38.733 39.664 -0.931 1
1 21 . 10 1 1 A 3 3 ASN N N 3 120.234 117.561 2.673 1
1 23 . 10 1 1 A 4 4 SER H H 4 8.428 8.802 -0.374 1
1 24 . 10 1 1 A 4 4 SER HA H 4 4.395 5.355 -0.960 1
1 27 . 10 1 1 A 4 4 SER CA C 4 59.048 56.800 2.248 1
1 28 . 10 1 1 A 4 4 SER CB C 4 63.485 65.080 -1.595 1
1 29 . 10 1 1 A 4 4 SER N N 4 116.413 119.284 -2.871 1
1 30 . 10 1 1 A 5 5 GLY H H 5 8.525 9.059 -0.534 1
1 31 . 10 1 1 A 5 5 GLY HA2 H 5 3.970 4.098 -0.128 1
1 32 . 10 1 1 A 5 5 GLY HA3 H 5 3.969 4.129 -0.160 1
1 33 . 10 1 1 A 5 5 GLY CA C 5 45.717 44.368 1.349 1
1 34 . 10 1 1 A 5 5 GLY N N 5 111.196 111.494 -0.298 1
1 35 . 10 1 1 A 6 6 ALA H H 6 7.941 8.857 -0.916 1
1 36 . 10 1 1 A 6 6 ALA HA H 6 4.206 4.163 0.043 1
1 40 . 10 1 1 A 6 6 ALA CA C 6 52.988 54.378 -1.390 1
1 41 . 10 1 1 A 6 6 ALA CB C 6 19.429 19.000 0.429 1
1 42 . 10 1 1 A 6 6 ALA N N 6 123.277 125.377 -2.100 1
1 43 . 10 1 1 A 7 7 TYR H H 7 8.351 7.497 0.854 1
1 44 . 10 1 1 A 7 7 TYR HA H 7 4.509 4.449 0.060 1
1 51 . 10 1 1 A 7 7 TYR CA C 7 57.528 57.515 0.013 1
1 52 . 10 1 1 A 7 7 TYR CB C 7 39.356 38.906 0.450 1
1 55 . 10 1 1 A 7 7 TYR N N 7 114.900 114.810 0.090 1
1 56 . 10 1 1 A 8 8 THR H H 8 7.735 7.357 0.378 1
1 57 . 10 1 1 A 8 8 THR HA H 8 4.922 4.183 0.739 1
1 62 . 10 1 1 A 8 8 THR CA C 8 60.827 63.680 -2.853 1
1 63 . 10 1 1 A 8 8 THR CB C 8 70.109 68.824 1.285 1
1 65 . 10 1 1 A 8 8 THR N N 8 110.856 116.744 -5.888 1
1 66 . 10 1 1 A 9 9 PHE H H 9 8.816 9.211 -0.395 1
1 67 . 10 1 1 A 9 9 PHE HA H 9 3.825 4.094 -0.269 1
1 75 . 10 1 1 A 9 9 PHE CA C 9 62.935 62.700 0.235 1
1 76 . 10 1 1 A 9 9 PHE CB C 9 39.373 39.785 -0.412 1
1 80 . 10 1 1 A 9 9 PHE N N 9 121.282 126.826 -5.544 1
1 81 . 10 1 1 A 10 10 GLU H H 10 9.741 8.542 1.199 1
1 82 . 10 1 1 A 10 10 GLU HA H 10 3.295 4.075 -0.780 1
1 87 . 10 1 1 A 10 10 GLU CA C 10 59.586 59.513 0.073 1
1 88 . 10 1 1 A 10 10 GLU CB C 10 28.453 29.191 -0.738 1
1 90 . 10 1 1 A 10 10 GLU N N 10 117.454 117.679 -0.225 1
1 91 . 10 1 1 A 11 11 THR H H 11 7.542 7.986 -0.444 1
1 92 . 10 1 1 A 11 11 THR HA H 11 3.667 4.038 -0.371 1
1 97 . 10 1 1 A 11 11 THR CA C 11 66.550 66.806 -0.256 1
1 98 . 10 1 1 A 11 11 THR CB C 11 66.557 67.955 -1.398 1
1 100 . 10 1 1 A 11 11 THR N N 11 115.970 118.234 -2.264 1
1 101 . 10 1 1 A 12 12 ILE H H 12 7.724 7.875 -0.151 1
1 102 . 10 1 1 A 12 12 ILE HA H 12 3.561 3.630 -0.069 1
1 112 . 10 1 1 A 12 12 ILE CA C 12 63.395 64.508 -1.113 1
1 113 . 10 1 1 A 12 12 ILE CB C 12 36.233 36.671 -0.438 1
1 117 . 10 1 1 A 12 12 ILE N N 12 122.235 121.688 0.547 1
1 118 . 10 1 1 A 13 13 ALA H H 13 9.099 8.102 0.997 1
1 119 . 10 1 1 A 13 13 ALA HA H 13 3.975 3.835 0.140 1
1 123 . 10 1 1 A 13 13 ALA CA C 13 55.666 54.604 1.062 1
1 124 . 10 1 1 A 13 13 ALA CB C 13 20.126 17.886 2.240 1
1 125 . 10 1 1 A 13 13 ALA N N 13 122.259 122.014 0.245 1
1 126 . 10 1 1 A 14 14 ARG H H 14 8.600 7.396 1.204 1
1 127 . 10 1 1 A 14 14 ARG HA H 14 4.097 3.780 0.317 1
1 134 . 10 1 1 A 14 14 ARG CA C 14 60.889 58.722 2.167 1
1 135 . 10 1 1 A 14 14 ARG CB C 14 29.000 29.736 -0.736 1
1 138 . 10 1 1 A 14 14 ARG N N 14 116.993 118.206 -1.213 1
1 139 . 10 1 1 A 15 15 GLU H H 15 7.924 7.610 0.314 1
1 140 . 10 1 1 A 15 15 GLU HA H 15 4.085 3.949 0.136 1
1 145 . 10 1 1 A 15 15 GLU CA C 15 59.312 59.415 -0.103 1
1 146 . 10 1 1 A 15 15 GLU CB C 15 29.866 29.636 0.230 1
1 148 . 10 1 1 A 15 15 GLU N N 15 122.758 118.690 4.068 1
1 149 . 10 1 1 A 16 16 TRP H H 16 8.864 7.700 1.164 1
1 150 . 10 1 1 A 16 16 TRP HA H 16 4.740 4.459 0.281 1
1 158 . 10 1 1 A 16 16 TRP CA C 16 60.839 59.460 1.379 1
1 159 . 10 1 1 A 16 16 TRP CB C 16 26.693 28.354 -1.661 1
1 163 . 10 1 1 A 16 16 TRP N N 16 122.323 119.897 2.426 1
1 165 . 10 1 1 A 17 17 HIS H H 17 8.803 6.961 1.842 1
1 166 . 10 1 1 A 17 17 HIS HA H 17 3.076 4.137 -1.061 1
1 170 . 10 1 1 A 17 17 HIS CA C 17 60.683 58.963 1.720 1
1 171 . 10 1 1 A 17 17 HIS CB C 17 30.772 29.400 1.372 1
1 173 . 10 1 1 A 17 17 HIS N N 17 121.293 120.501 0.792 1
1 174 . 10 1 1 A 18 18 GLU H H 18 7.897 8.239 -0.342 1
1 175 . 10 1 1 A 18 18 GLU HA H 18 3.837 3.873 -0.036 1
1 180 . 10 1 1 A 18 18 GLU CA C 18 57.506 59.265 -1.759 1
1 181 . 10 1 1 A 18 18 GLU CB C 18 29.421 29.633 -0.212 1
1 183 . 10 1 1 A 18 18 GLU N N 18 118.162 118.917 -0.755 1
1 184 . 10 1 1 A 19 19 SER H H 19 7.461 7.797 -0.336 1
1 185 . 10 1 1 A 19 19 SER HA H 19 4.150 4.246 -0.096 1
1 188 . 10 1 1 A 19 19 SER CA C 19 60.000 60.880 -0.880 1
1 189 . 10 1 1 A 19 19 SER CB C 19 63.329 62.894 0.435 1
1 190 . 10 1 1 A 19 19 SER N N 19 112.802 114.713 -1.911 1
1 191 . 10 1 1 A 20 20 ASN H H 20 6.638 8.105 -1.467 1
1 192 . 10 1 1 A 20 20 ASN HA H 20 4.226 4.852 -0.626 1
1 195 . 10 1 1 A 20 20 ASN CA C 20 53.211 52.926 0.285 1
1 196 . 10 1 1 A 20 20 ASN CB C 20 37.021 39.643 -2.622 1
1 197 . 10 1 1 A 20 20 ASN N N 20 121.098 116.266 4.832 1
1 198 . 10 1 1 A 21 21 LYS H H 21 8.010 7.497 0.513 1
1 199 . 10 1 1 A 21 21 LYS HA H 21 4.077 4.694 -0.617 1
1 208 . 10 1 1 A 21 21 LYS CA C 21 56.558 54.242 2.316 1
1 209 . 10 1 1 A 21 21 LYS CB C 21 32.435 36.964 -4.529 1
1 213 . 10 1 1 A 21 21 LYS N N 21 122.666 116.847 5.819 1
1 214 . 10 1 1 A 22 22 ARG H H 22 8.007 8.197 -0.190 1
1 215 . 10 1 1 A 22 22 ARG HA H 22 4.257 4.284 -0.027 1
1 222 . 10 1 1 A 22 22 ARG CA C 22 56.480 53.675 2.805 1
1 223 . 10 1 1 A 22 22 ARG CB C 22 30.000 33.706 -3.706 1
1 226 . 10 1 1 A 22 22 ARG N N 22 117.459 119.437 -1.978 1
1 227 . 10 1 1 A 23 23 TRP H H 23 7.211 8.186 -0.975 1
1 228 . 10 1 1 A 23 23 TRP HA H 23 4.938 4.699 0.239 1
1 237 . 10 1 1 A 23 23 TRP CA C 23 55.206 57.045 -1.839 1
1 238 . 10 1 1 A 23 23 TRP CB C 23 30.772 28.625 2.147 1
1 244 . 10 1 1 A 23 23 TRP N N 23 118.844 121.932 -3.088 1
1 246 . 10 1 1 A 24 24 SER H H 24 8.764 8.216 0.548 1
1 247 . 10 1 1 A 24 24 SER HA H 24 4.520 4.994 -0.474 1
1 250 . 10 1 1 A 24 24 SER CA C 24 57.647 57.526 0.121 1
1 251 . 10 1 1 A 24 24 SER CB C 24 64.419 64.512 -0.093 1
1 252 . 10 1 1 A 24 24 SER N N 24 117.454 121.663 -4.209 1
1 253 . 10 1 1 A 25 25 GLU H H 25 8.976 8.905 0.071 1
1 254 . 10 1 1 A 25 25 GLU HA H 25 4.076 4.072 0.004 1
1 259 . 10 1 1 A 25 25 GLU CA C 25 59.360 59.633 -0.273 1
1 260 . 10 1 1 A 25 25 GLU CB C 25 28.960 29.391 -0.431 1
1 262 . 10 1 1 A 25 25 GLU N N 25 122.323 126.759 -4.436 1
1 263 . 10 1 1 A 26 26 ASP H H 26 8.608 8.070 0.538 1
1 264 . 10 1 1 A 26 26 ASP HA H 26 4.400 4.392 0.008 1
1 267 . 10 1 1 A 26 26 ASP CA C 26 56.327 57.375 -1.048 1
1 268 . 10 1 1 A 26 26 ASP CB C 26 40.700 40.762 -0.062 1
1 269 . 10 1 1 A 26 26 ASP N N 26 118.165 119.848 -1.683 1
1 270 . 10 1 1 A 27 27 HIS H H 27 7.891 7.878 0.013 1
1 271 . 10 1 1 A 27 27 HIS HA H 27 4.247 4.283 -0.036 1
1 275 . 10 1 1 A 27 27 HIS CA C 27 58.271 59.540 -1.269 1
1 276 . 10 1 1 A 27 27 HIS CB C 27 30.483 29.735 0.748 1
1 278 . 10 1 1 A 27 27 HIS N N 27 120.183 118.428 1.755 1
1 279 . 10 1 1 A 28 28 ARG H H 28 8.676 8.205 0.471 1
1 280 . 10 1 1 A 28 28 ARG HA H 28 3.720 3.816 -0.096 1
1 287 . 10 1 1 A 28 28 ARG CA C 28 59.444 59.884 -0.440 1
1 288 . 10 1 1 A 28 28 ARG CB C 28 30.315 29.812 0.503 1
1 291 . 10 1 1 A 28 28 ARG N N 28 118.156 119.801 -1.645 1
1 292 . 10 1 1 A 29 29 SER H H 29 8.359 8.484 -0.125 1
1 293 . 10 1 1 A 29 29 SER HA H 29 4.295 4.143 0.152 1
1 296 . 10 1 1 A 29 29 SER CA C 29 60.916 62.094 -1.178 1
1 297 . 10 1 1 A 29 29 SER CB C 29 62.629 63.094 -0.465 1
1 298 . 10 1 1 A 29 29 SER N N 29 115.374 116.742 -1.368 1
1 299 . 10 1 1 A 30 30 ARG H H 30 7.860 7.316 0.544 1
1 300 . 10 1 1 A 30 30 ARG HA H 30 3.850 4.175 -0.325 1
1 307 . 10 1 1 A 30 30 ARG CA C 30 59.162 58.939 0.223 1
1 308 . 10 1 1 A 30 30 ARG CB C 30 30.171 30.562 -0.391 1
1 311 . 10 1 1 A 30 30 ARG N N 30 124.066 121.622 2.444 1
1 312 . 10 1 1 A 31 31 VAL H H 31 7.928 8.243 -0.315 1
1 313 . 10 1 1 A 31 31 VAL HA H 31 4.728 3.718 1.010 1
1 321 . 10 1 1 A 31 31 VAL CA C 31 66.054 66.021 0.033 1
1 322 . 10 1 1 A 31 31 VAL CB C 31 31.961 31.583 0.378 1
1 325 . 10 1 1 A 31 31 VAL N N 31 116.760 120.145 -3.385 1
1 326 . 10 1 1 A 32 32 LEU H H 32 7.314 8.052 -0.738 1
1 327 . 10 1 1 A 32 32 LEU HA H 32 3.867 4.064 -0.197 1
1 337 . 10 1 1 A 32 32 LEU CA C 32 57.406 58.531 -1.125 1
1 338 . 10 1 1 A 32 32 LEU CB C 32 40.912 41.877 -0.965 1
1 342 . 10 1 1 A 32 32 LEU N N 32 117.541 121.022 -3.481 1
1 343 . 10 1 1 A 33 33 ARG H H 33 7.914 7.996 -0.082 1
1 344 . 10 1 1 A 33 33 ARG HA H 33 4.070 3.902 0.168 1
1 351 . 10 1 1 A 33 33 ARG CA C 33 58.815 59.797 -0.982 1
1 352 . 10 1 1 A 33 33 ARG CB C 33 29.393 29.837 -0.444 1
1 355 . 10 1 1 A 33 33 ARG N N 33 118.510 119.324 -0.814 1
1 356 . 10 1 1 A 34 34 TYR H H 34 8.211 7.696 0.515 1
1 357 . 10 1 1 A 34 34 TYR HA H 34 4.533 4.315 0.218 1
1 364 . 10 1 1 A 34 34 TYR CA C 34 59.593 61.432 -1.839 1
1 365 . 10 1 1 A 34 34 TYR CB C 34 37.021 38.773 -1.752 1
1 368 . 10 1 1 A 34 34 TYR N N 34 116.416 121.229 -4.813 1
1 369 . 10 1 1 A 35 35 LEU H H 35 7.904 8.720 -0.816 1
1 370 . 10 1 1 A 35 35 LEU HA H 35 3.670 4.065 -0.395 1
1 380 . 10 1 1 A 35 35 LEU CA C 35 57.967 58.269 -0.302 1
1 381 . 10 1 1 A 35 35 LEU CB C 35 40.740 41.607 -0.867 1
1 385 . 10 1 1 A 35 35 LEU N N 35 118.885 121.037 -2.152 1
1 386 . 10 1 1 A 36 36 GLU H H 36 8.662 8.557 0.105 1
1 387 . 10 1 1 A 36 36 GLU HA H 36 3.993 4.375 -0.382 1
1 392 . 10 1 1 A 36 36 GLU CA C 36 59.749 59.428 0.321 1
1 393 . 10 1 1 A 36 36 GLU CB C 36 29.887 29.698 0.189 1
1 395 . 10 1 1 A 36 36 GLU N N 36 120.936 119.001 1.935 1
1 396 . 10 1 1 A 37 37 LEU H H 37 8.195 8.505 -0.310 1
1 397 . 10 1 1 A 37 37 LEU HA H 37 3.979 4.000 -0.021 1
1 407 . 10 1 1 A 37 37 LEU CA C 37 56.947 57.326 -0.379 1
1 408 . 10 1 1 A 37 37 LEU CB C 37 42.936 41.436 1.500 1
1 412 . 10 1 1 A 37 37 LEU N N 37 116.413 120.186 -3.773 1
1 413 . 10 1 1 A 38 38 TYR H H 38 7.663 7.638 0.025 1
1 414 . 10 1 1 A 38 38 TYR HA H 38 4.951 4.390 0.561 1
1 421 . 10 1 1 A 38 38 TYR CA C 38 58.581 59.053 -0.472 1
1 422 . 10 1 1 A 38 38 TYR CB C 38 41.068 39.454 1.614 1
1 425 . 10 1 1 A 38 38 TYR N N 38 110.509 116.401 -5.892 1
1 426 . 10 1 1 A 39 39 ILE H H 39 7.833 7.970 -0.137 1
1 427 . 10 1 1 A 39 39 ILE HA H 39 4.642 3.876 0.766 1
1 437 . 10 1 1 A 39 39 ILE CA C 39 60.000 62.292 -2.292 1
1 438 . 10 1 1 A 39 39 ILE CB C 39 37.111 38.942 -1.831 1
1 442 . 10 1 1 A 39 39 ILE N N 39 116.068 119.282 -3.214 1
1 443 . 10 1 1 A 40 40 PHE H H 40 9.117 7.678 1.439 1
1 444 . 10 1 1 A 40 40 PHE HA H 40 4.634 5.109 -0.475 1
1 452 . 10 1 1 A 40 40 PHE CA C 40 57.492 54.763 2.729 1
1 453 . 10 1 1 A 40 40 PHE CB C 40 34.374 37.988 -3.614 1
1 457 . 10 1 1 A 40 40 PHE N N 40 121.241 119.429 1.812 1
1 458 . 10 1 1 A 41 41 PRO HA H 41 4.388 4.272 0.116 1
1 465 . 10 1 1 A 41 41 PRO CA C 41 66.132 65.764 0.368 1
1 466 . 10 1 1 A 41 41 PRO CB C 41 31.261 31.121 0.140 1
1 469 . 10 1 1 A 42 42 HIS H H 42 7.153 8.050 -0.897 1
1 470 . 10 1 1 A 42 42 HIS HA H 42 4.678 4.700 -0.022 1
1 474 . 10 1 1 A 42 42 HIS CA C 42 57.336 55.969 1.367 1
1 475 . 10 1 1 A 42 42 HIS CB C 42 32.895 30.504 2.391 1
1 477 . 10 1 1 A 42 42 HIS N N 42 111.205 114.586 -3.381 1
1 478 . 10 1 1 A 43 43 ILE H H 43 7.327 7.562 -0.235 1
1 479 . 10 1 1 A 43 43 ILE HA H 43 4.938 4.452 0.486 1
1 489 . 10 1 1 A 43 43 ILE CA C 43 60.527 60.472 0.055 1
1 490 . 10 1 1 A 43 43 ILE CB C 43 40.445 38.160 2.285 1
1 494 . 10 1 1 A 43 43 ILE N N 43 105.996 111.510 -5.514 1
1 495 . 10 1 1 A 44 44 GLY H H 44 8.958 8.449 0.509 1
1 496 . 10 1 1 A 44 44 GLY HA2 H 44 4.340 3.873 0.467 1
1 497 . 10 1 1 A 44 44 GLY HA3 H 44 3.855 3.930 -0.075 1
1 498 . 10 1 1 A 44 44 GLY CA C 44 48.385 46.339 2.046 1
1 499 . 10 1 1 A 44 44 GLY N N 44 110.704 112.803 -2.099 1
1 500 . 10 1 1 A 45 45 SER H H 45 8.294 7.886 0.408 1
1 501 . 10 1 1 A 45 45 SER HA H 45 4.517 4.562 -0.045 1
1 504 . 10 1 1 A 45 45 SER CA C 45 58.270 58.231 0.039 1
1 505 . 10 1 1 A 45 45 SER CB C 45 63.563 63.605 -0.042 1
1 506 . 10 1 1 A 45 45 SER N N 45 110.505 114.373 -3.868 1
1 507 . 10 1 1 A 46 46 SER H H 46 7.689 7.491 0.198 1
1 508 . 10 1 1 A 46 46 SER HA H 46 4.322 4.507 -0.185 1
1 511 . 10 1 1 A 46 46 SER CA C 46 59.282 59.030 0.252 1
1 512 . 10 1 1 A 46 46 SER CB C 46 63.719 63.988 -0.269 1
1 513 . 10 1 1 A 46 46 SER N N 46 119.190 118.612 0.578 1
1 514 . 10 1 1 A 47 47 ASP H H 47 8.646 8.444 0.202 1
1 515 . 10 1 1 A 47 47 ASP HA H 47 4.446 4.975 -0.529 1
1 518 . 10 1 1 A 47 47 ASP CA C 47 54.145 53.409 0.736 1
1 519 . 10 1 1 A 47 47 ASP CB C 47 41.652 42.694 -1.042 1
1 520 . 10 1 1 A 47 47 ASP N N 47 124.868 125.106 -0.238 1
1 521 . 10 1 1 A 48 48 ILE H H 48 9.406 8.814 0.592 1
1 522 . 10 1 1 A 48 48 ILE HA H 48 4.091 4.205 -0.114 1
1 532 . 10 1 1 A 48 48 ILE CA C 48 63.844 63.868 -0.024 1
1 533 . 10 1 1 A 48 48 ILE CB C 48 39.845 38.575 1.270 1
1 537 . 10 1 1 A 48 48 ILE N N 48 129.573 127.403 2.170 1
1 538 . 10 1 1 A 49 49 ARG H H 49 9.004 8.935 0.069 1
1 539 . 10 1 1 A 49 49 ARG HA H 49 4.166 3.917 0.249 1
1 546 . 10 1 1 A 49 49 ARG CA C 49 57.534 57.658 -0.124 1
1 547 . 10 1 1 A 49 49 ARG CB C 49 29.870 29.300 0.570 1
1 548 . 10 1 1 A 49 49 ARG N N 49 119.541 119.260 0.281 1
1 549 . 10 1 1 A 50 50 GLN H H 50 7.868 7.824 0.044 1
1 550 . 10 1 1 A 50 50 GLN HA H 50 4.498 4.613 -0.115 1
1 557 . 10 1 1 A 50 50 GLN CA C 50 54.633 54.964 -0.331 1
1 558 . 10 1 1 A 50 50 GLN CB C 50 29.548 28.993 0.555 1
1 560 . 10 1 1 A 50 50 GLN N N 50 114.374 118.908 -4.534 1
1 562 . 10 1 1 A 51 51 LEU H H 51 6.799 8.887 -2.088 1
1 563 . 10 1 1 A 51 51 LEU HA H 51 4.516 4.587 -0.071 1
1 573 . 10 1 1 A 51 51 LEU CA C 51 54.519 55.166 -0.647 1
1 574 . 10 1 1 A 51 51 LEU CB C 51 43.014 43.102 -0.088 1
1 578 . 10 1 1 A 51 51 LEU N N 51 119.548 128.587 -9.039 1
1 579 . 10 1 1 A 52 52 LYS H H 52 10.373 8.494 1.879 1
1 580 . 10 1 1 A 52 52 LYS HA H 52 4.725 4.694 0.031 1
1 589 . 10 1 1 A 52 52 LYS CA C 52 53.806 54.741 -0.935 1
1 590 . 10 1 1 A 52 52 LYS CB C 52 34.394 33.949 0.445 1
1 594 . 10 1 1 A 52 52 LYS N N 52 125.943 124.299 1.644 1
1 595 . 10 1 1 A 53 53 THR H H 53 8.724 8.714 0.010 1
1 596 . 10 1 1 A 53 53 THR HA H 53 4.727 4.578 0.149 1
1 601 . 10 1 1 A 53 53 THR CA C 53 57.570 61.784 -4.214 1
1 602 . 10 1 1 A 53 53 THR CB C 53 68.467 69.622 -1.155 1
1 604 . 10 1 1 A 53 53 THR N N 53 117.533 116.335 1.198 1
1 605 . 10 1 1 A 54 54 SER H H 54 8.416 8.941 -0.525 1
1 606 . 10 1 1 A 54 54 SER HA H 54 4.743 4.427 0.316 1
1 609 . 10 1 1 A 54 54 SER CA C 54 61.306 59.543 1.763 1
1 610 . 10 1 1 A 54 54 SER CB C 54 61.132 62.836 -1.704 1
1 611 . 10 1 1 A 54 54 SER N N 54 112.941 117.563 -4.622 1
1 612 . 10 1 1 A 55 55 HIS H H 55 7.077 8.320 -1.243 1
1 613 . 10 1 1 A 55 55 HIS HA H 55 4.425 4.491 -0.066 1
1 617 . 10 1 1 A 55 55 HIS CA C 55 58.659 58.343 0.316 1
1 618 . 10 1 1 A 55 55 HIS CB C 55 33.051 28.727 4.324 1
1 620 . 10 1 1 A 55 55 HIS N N 55 120.680 120.217 0.463 1
1 621 . 10 1 1 A 56 56 LEU H H 56 7.410 7.113 0.297 1
1 622 . 10 1 1 A 56 56 LEU HA H 56 3.916 3.868 0.048 1
1 632 . 10 1 1 A 56 56 LEU CA C 56 56.558 57.321 -0.763 1
1 633 . 10 1 1 A 56 56 LEU CB C 56 42.547 41.452 1.095 1
1 637 . 10 1 1 A 56 56 LEU N N 56 115.029 118.582 -3.553 1
1 638 . 10 1 1 A 57 57 LEU H H 57 7.906 7.436 0.470 1
1 639 . 10 1 1 A 57 57 LEU HA H 57 4.073 4.066 0.007 1
1 649 . 10 1 1 A 57 57 LEU CA C 57 56.047 57.165 -1.118 1
1 650 . 10 1 1 A 57 57 LEU CB C 57 42.575 41.351 1.224 1
1 654 . 10 1 1 A 57 57 LEU N N 57 113.214 121.519 -8.305 1
1 655 . 10 1 1 A 58 58 ALA H H 58 7.367 7.867 -0.500 1
1 656 . 10 1 1 A 58 58 ALA HA H 58 4.176 4.005 0.171 1
1 660 . 10 1 1 A 58 58 ALA CA C 58 57.049 57.339 -0.290 1
1 661 . 10 1 1 A 58 58 ALA CB C 58 15.362 16.815 -1.453 1
1 662 . 10 1 1 A 58 58 ALA N N 58 120.662 121.825 -1.163 1
1 663 . 10 1 1 A 59 59 PRO HA H 59 4.133 4.234 -0.101 1
1 670 . 10 1 1 A 59 59 PRO CA C 59 65.120 66.106 -0.986 1
1 671 . 10 1 1 A 59 59 PRO CB C 59 31.183 30.647 0.536 1
1 674 . 10 1 1 A 60 60 ILE H H 60 6.643 7.572 -0.929 1
1 675 . 10 1 1 A 60 60 ILE HA H 60 3.383 3.806 -0.423 1
1 685 . 10 1 1 A 60 60 ILE CA C 60 64.886 63.841 1.045 1
1 686 . 10 1 1 A 60 60 ILE CB C 60 37.799 37.026 0.773 1
1 690 . 10 1 1 A 60 60 ILE N N 60 117.809 116.157 1.652 1
1 691 . 10 1 1 A 61 61 LYS H H 61 8.635 7.847 0.788 1
1 692 . 10 1 1 A 61 61 LYS HA H 61 3.992 4.111 -0.119 1
1 701 . 10 1 1 A 61 61 LYS CA C 61 59.048 59.552 -0.504 1
1 702 . 10 1 1 A 61 61 LYS CB C 61 31.678 32.118 -0.440 1
1 706 . 10 1 1 A 61 61 LYS N N 61 120.585 120.290 0.295 1
1 707 . 10 1 1 A 62 62 GLU H H 62 7.664 7.782 -0.118 1
1 708 . 10 1 1 A 62 62 GLU HA H 62 3.992 4.065 -0.073 1
1 713 . 10 1 1 A 62 62 GLU CA C 62 59.593 59.375 0.218 1
1 714 . 10 1 1 A 62 62 GLU CB C 62 28.975 29.528 -0.553 1
1 716 . 10 1 1 A 62 62 GLU N N 62 118.505 119.696 -1.191 1
1 717 . 10 1 1 A 63 63 VAL H H 63 7.227 7.876 -0.649 1
1 718 . 10 1 1 A 63 63 VAL HA H 63 3.545 3.688 -0.143 1
1 726 . 10 1 1 A 63 63 VAL CA C 63 65.663 66.488 -0.825 1
1 727 . 10 1 1 A 63 63 VAL CB C 63 31.650 31.553 0.097 1
1 730 . 10 1 1 A 63 63 VAL N N 63 119.540 119.504 0.036 1
1 731 . 10 1 1 A 64 64 ASP H H 64 8.281 8.386 -0.105 1
1 732 . 10 1 1 A 64 64 ASP HA H 64 3.984 4.346 -0.362 1
1 735 . 10 1 1 A 64 64 ASP CA C 64 58.860 57.547 1.313 1
1 736 . 10 1 1 A 64 64 ASP CB C 64 42.561 41.847 0.714 1
1 737 . 10 1 1 A 64 64 ASP N N 64 122.316 120.437 1.879 1
1 738 . 10 1 1 A 65 65 THR H H 65 8.818 8.596 0.222 1
1 739 . 10 1 1 A 65 65 THR HA H 65 4.310 4.206 0.104 1
1 744 . 10 1 1 A 65 65 THR CA C 65 68.825 65.149 3.676 1
1 745 . 10 1 1 A 65 65 THR CB C 65 65.195 68.723 -3.528 1
1 747 . 10 1 1 A 65 65 THR N N 65 112.808 113.389 -0.581 1
1 748 . 10 1 1 A 66 66 SER H H 66 7.596 7.761 -0.165 1
1 749 . 10 1 1 A 66 66 SER HA H 66 4.469 4.503 -0.034 1
1 752 . 10 1 1 A 66 66 SER CA C 66 59.827 58.448 1.379 1
1 753 . 10 1 1 A 66 66 SER CB C 66 63.641 63.410 0.231 1
1 754 . 10 1 1 A 66 66 SER N N 66 116.412 115.522 0.890 1
1 755 . 10 1 1 A 67 67 GLY H H 67 7.781 8.003 -0.222 1
1 756 . 10 1 1 A 67 67 GLY HA2 H 67 4.467 3.884 0.583 1
1 757 . 10 1 1 A 67 67 GLY HA3 H 67 3.355 3.937 -0.582 1
1 758 . 10 1 1 A 67 67 GLY CA C 67 44.337 45.175 -0.838 1
1 759 . 10 1 1 A 67 67 GLY N N 67 108.565 107.765 0.800 1
1 760 . 10 1 1 A 68 68 LYS H H 68 6.932 7.619 -0.687 1
1 761 . 10 1 1 A 68 68 LYS HA H 68 4.706 4.382 0.324 1
1 770 . 10 1 1 A 68 68 LYS CA C 68 54.145 56.468 -2.323 1
1 771 . 10 1 1 A 68 68 LYS CB C 68 30.325 32.298 -1.973 1
1 775 . 10 1 1 A 68 68 LYS N N 68 121.979 119.950 2.029 1
1 776 . 10 1 1 A 69 69 HIS H H 69 7.630 7.841 -0.211 1
1 777 . 10 1 1 A 69 69 HIS HA H 69 4.544 4.387 0.157 1
1 780 . 10 1 1 A 69 69 HIS CA C 69 58.270 58.610 -0.340 1
1 781 . 10 1 1 A 69 69 HIS CB C 69 28.303 28.523 -0.220 1
1 782 . 10 1 1 A 69 69 HIS N N 69 119.617 119.266 0.351 1
1 783 . 10 1 1 A 70 70 ASP H H 70 8.779 8.566 0.213 1
1 784 . 10 1 1 A 70 70 ASP HA H 70 4.330 4.361 -0.031 1
1 787 . 10 1 1 A 70 70 ASP CA C 70 56.869 56.946 -0.077 1
1 788 . 10 1 1 A 70 70 ASP CB C 70 39.433 40.042 -0.609 1
1 789 . 10 1 1 A 70 70 ASP N N 70 118.586 121.122 -2.536 1
1 790 . 10 1 1 A 71 71 VAL H H 71 7.575 7.808 -0.233 1
1 791 . 10 1 1 A 71 71 VAL HA H 71 3.232 3.860 -0.628 1
1 799 . 10 1 1 A 71 71 VAL CA C 71 66.131 63.589 2.542 1
1 800 . 10 1 1 A 71 71 VAL CB C 71 31.105 31.913 -0.808 1
1 803 . 10 1 1 A 71 71 VAL N N 71 121.186 115.331 5.855 1
1 804 . 10 1 1 A 72 72 ALA H H 72 8.022 8.426 -0.404 1
1 805 . 10 1 1 A 72 72 ALA HA H 72 3.682 4.066 -0.384 1
1 809 . 10 1 1 A 72 72 ALA CA C 72 55.702 55.885 -0.183 1
1 810 . 10 1 1 A 72 72 ALA CB C 72 18.028 18.219 -0.191 1
1 811 . 10 1 1 A 72 72 ALA N N 72 120.675 124.534 -3.859 1
1 812 . 10 1 1 A 73 73 GLN H H 73 7.793 8.129 -0.336 1
1 813 . 10 1 1 A 73 73 GLN HA H 73 3.971 3.947 0.024 1
1 820 . 10 1 1 A 73 73 GLN CA C 73 58.872 59.295 -0.423 1
1 821 . 10 1 1 A 73 73 GLN CB C 73 28.073 28.345 -0.272 1
1 823 . 10 1 1 A 73 73 GLN N N 73 115.949 117.851 -1.902 1
1 825 . 10 1 1 A 74 74 ARG H H 74 7.795 7.918 -0.123 1
1 826 . 10 1 1 A 74 74 ARG HA H 74 4.108 4.048 0.060 1
1 833 . 10 1 1 A 74 74 ARG CA C 74 59.282 58.962 0.320 1
1 834 . 10 1 1 A 74 74 ARG CB C 74 29.857 29.893 -0.036 1
1 837 . 10 1 1 A 74 74 ARG N N 74 119.896 119.072 0.824 1
1 838 . 10 1 1 A 75 75 LEU H H 75 8.850 8.255 0.595 1
1 839 . 10 1 1 A 75 75 LEU HA H 75 3.935 4.086 -0.151 1
1 849 . 10 1 1 A 75 75 LEU CA C 75 57.803 57.349 0.454 1
1 850 . 10 1 1 A 75 75 LEU CB C 75 42.858 41.221 1.637 1
1 854 . 10 1 1 A 75 75 LEU N N 75 118.044 119.419 -1.375 1
1 855 . 10 1 1 A 76 76 GLN H H 76 8.412 8.867 -0.455 1
1 856 . 10 1 1 A 76 76 GLN HA H 76 3.790 3.981 -0.191 1
1 861 . 10 1 1 A 76 76 GLN CA C 76 60.294 58.789 1.505 1
1 862 . 10 1 1 A 76 76 GLN CB C 76 27.995 28.212 -0.217 1
1 864 . 10 1 1 A 76 76 GLN N N 76 119.109 117.971 1.138 1
1 865 . 10 1 1 A 77 77 GLN H H 77 7.788 8.019 -0.231 1
1 866 . 10 1 1 A 77 77 GLN HA H 77 4.090 4.061 0.029 1
1 873 . 10 1 1 A 77 77 GLN CA C 77 59.318 58.687 0.631 1
1 874 . 10 1 1 A 77 77 GLN CB C 77 28.054 28.574 -0.520 1
1 876 . 10 1 1 A 77 77 GLN N N 77 119.616 119.048 0.568 1
1 878 . 10 1 1 A 78 78 ARG H H 78 8.552 8.001 0.551 1
1 879 . 10 1 1 A 78 78 ARG HA H 78 4.171 3.968 0.203 1
1 886 . 10 1 1 A 78 78 ARG CA C 78 57.946 58.697 -0.751 1
1 887 . 10 1 1 A 78 78 ARG CB C 78 28.958 29.897 -0.939 1
1 890 . 10 1 1 A 78 78 ARG N N 78 118.044 119.591 -1.547 1
1 891 . 10 1 1 A 79 79 VAL H H 79 8.958 7.887 1.071 1
1 892 . 10 1 1 A 79 79 VAL HA H 79 3.603 3.897 -0.294 1
1 900 . 10 1 1 A 79 79 VAL CA C 79 67.284 65.012 2.272 1
1 901 . 10 1 1 A 79 79 VAL CB C 79 31.228 31.371 -0.143 1
1 904 . 10 1 1 A 79 79 VAL N N 79 116.998 118.410 -1.412 1
1 905 . 10 1 1 A 80 80 THR H H 80 7.938 7.730 0.208 1
1 906 . 10 1 1 A 80 80 THR HA H 80 4.301 3.966 0.335 1
1 911 . 10 1 1 A 80 80 THR CA C 80 67.976 66.196 1.780 1
1 912 . 10 1 1 A 80 80 THR CB C 80 67.466 68.269 -0.803 1
1 914 . 10 1 1 A 80 80 THR N N 80 115.701 116.463 -0.762 1
1 915 . 10 1 1 A 81 81 ALA H H 81 7.656 7.652 0.004 1
1 916 . 10 1 1 A 81 81 ALA HA H 81 4.070 3.996 0.074 1
1 920 . 10 1 1 A 81 81 ALA CA C 81 55.232 54.995 0.237 1
1 921 . 10 1 1 A 81 81 ALA CB C 81 18.087 18.259 -0.172 1
1 922 . 10 1 1 A 81 81 ALA N N 81 124.407 122.957 1.450 1
1 923 . 10 1 1 A 82 82 ILE H H 82 7.901 7.311 0.590 1
1 924 . 10 1 1 A 82 82 ILE HA H 82 2.733 3.380 -0.647 1
1 934 . 10 1 1 A 82 82 ILE CA C 82 65.450 64.583 0.867 1
1 935 . 10 1 1 A 82 82 ILE CB C 82 37.569 37.424 0.145 1
1 939 . 10 1 1 A 82 82 ILE N N 82 121.196 119.322 1.874 1
1 940 . 10 1 1 A 83 83 MET H H 83 8.258 8.065 0.193 1
1 941 . 10 1 1 A 83 83 MET HA H 83 4.556 4.155 0.401 1
1 949 . 10 1 1 A 83 83 MET CA C 83 56.403 58.772 -2.369 1
1 950 . 10 1 1 A 83 83 MET CB C 83 29.782 32.186 -2.404 1
1 953 . 10 1 1 A 83 83 MET N N 83 120.154 118.643 1.511 1
1 954 . 10 1 1 A 84 84 ARG H H 84 7.915 7.781 0.134 1
1 955 . 10 1 1 A 84 84 ARG HA H 84 4.039 4.137 -0.098 1
1 962 . 10 1 1 A 84 84 ARG CA C 84 59.749 59.055 0.694 1
1 963 . 10 1 1 A 84 84 ARG CB C 84 30.000 29.686 0.314 1
1 966 . 10 1 1 A 84 84 ARG N N 84 116.534 118.799 -2.265 1
1 967 . 10 1 1 A 85 85 TYR H H 85 8.221 7.824 0.397 1
1 968 . 10 1 1 A 85 85 TYR HA H 85 4.255 4.274 -0.019 1
1 975 . 10 1 1 A 85 85 TYR CA C 85 61.382 61.253 0.129 1
1 976 . 10 1 1 A 85 85 TYR CB C 85 38.499 37.560 0.939 1
1 979 . 10 1 1 A 85 85 TYR N N 85 122.313 119.193 3.120 1
1 980 . 10 1 1 A 86 86 ALA H H 86 8.804 8.064 0.740 1
1 981 . 10 1 1 A 86 86 ALA HA H 86 4.223 4.141 0.082 1
1 985 . 10 1 1 A 86 86 ALA CA C 86 55.043 55.227 -0.184 1
1 986 . 10 1 1 A 86 86 ALA CB C 86 18.087 18.556 -0.469 1
1 987 . 10 1 1 A 86 86 ALA N N 86 123.291 123.040 0.251 1
1 988 . 10 1 1 A 87 87 VAL H H 87 8.113 8.090 0.023 1
1 989 . 10 1 1 A 87 87 VAL HA H 87 4.170 3.449 0.721 1
1 997 . 10 1 1 A 87 87 VAL CA C 87 65.146 66.959 -1.813 1
1 998 . 10 1 1 A 87 87 VAL CB C 87 31.897 31.462 0.435 1
1 1001 . 10 1 1 A 87 87 VAL N N 87 120.144 118.505 1.639 1
1 1002 . 10 1 1 A 88 88 GLN H H 88 8.458 8.506 -0.048 1
1 1003 . 10 1 1 A 88 88 GLN HA H 88 3.983 3.964 0.019 1
1 1010 . 10 1 1 A 88 88 GLN CA C 88 58.270 59.110 -0.840 1
1 1011 . 10 1 1 A 88 88 GLN CB C 88 28.075 28.009 0.066 1
1 1013 . 10 1 1 A 88 88 GLN N N 88 120.751 119.814 0.937 1
1 1015 . 10 1 1 A 89 89 ASN H H 89 7.359 7.560 -0.201 1
1 1016 . 10 1 1 A 89 89 ASN HA H 89 4.486 4.893 -0.407 1
1 1021 . 10 1 1 A 89 89 ASN CA C 89 53.444 52.807 0.637 1
1 1022 . 10 1 1 A 89 89 ASN CB C 89 38.932 38.676 0.256 1
1 1023 . 10 1 1 A 89 89 ASN N N 89 113.850 114.497 -0.647 1
1 1025 . 10 1 1 A 90 90 ASP H H 90 7.849 8.305 -0.456 1
1 1026 . 10 1 1 A 90 90 ASP HA H 90 4.387 4.395 -0.008 1
1 1029 . 10 1 1 A 90 90 ASP CA C 90 55.935 55.104 0.831 1
1 1030 . 10 1 1 A 90 90 ASP CB C 90 38.811 39.830 -1.019 1
1 1031 . 10 1 1 A 90 90 ASP N N 90 113.293 118.016 -4.723 1
1 1032 . 10 1 1 A 91 91 TYR H H 91 8.489 8.498 -0.009 1
1 1033 . 10 1 1 A 91 91 TYR HA H 91 4.589 4.382 0.207 1
1 1040 . 10 1 1 A 91 91 TYR CA C 91 60.000 59.812 0.188 1
1 1041 . 10 1 1 A 91 91 TYR CB C 91 38.811 39.786 -0.975 1
1 1044 . 10 1 1 A 91 91 TYR N N 91 116.072 119.415 -3.343 1
1 1045 . 10 1 1 A 92 92 ILE H H 92 7.131 7.437 -0.306 1
1 1046 . 10 1 1 A 92 92 ILE HA H 92 4.684 4.623 0.061 1
1 1056 . 10 1 1 A 92 92 ILE CA C 92 59.126 58.778 0.348 1
1 1057 . 10 1 1 A 92 92 ILE CB C 92 41.846 40.900 0.946 1
1 1061 . 10 1 1 A 92 92 ILE N N 92 107.409 115.736 -8.327 1
1 1062 . 10 1 1 A 93 93 ASP H H 93 8.731 8.513 0.218 1
1 1063 . 10 1 1 A 93 93 ASP HA H 93 4.707 4.885 -0.178 1
1 1066 . 10 1 1 A 93 93 ASP CA C 93 54.689 55.326 -0.637 1
1 1067 . 10 1 1 A 93 93 ASP CB C 93 41.924 43.080 -1.156 1
1 1068 . 10 1 1 A 93 93 ASP N N 93 118.847 120.996 -2.149 1
1 1069 . 10 1 1 A 94 94 SER H H 94 7.638 7.760 -0.122 1
1 1070 . 10 1 1 A 94 94 SER HA H 94 4.491 4.882 -0.391 1
1 1073 . 10 1 1 A 94 94 SER CA C 94 57.102 57.532 -0.430 1
1 1074 . 10 1 1 A 94 94 SER CB C 94 64.186 65.909 -1.723 1
1 1075 . 10 1 1 A 94 94 SER N N 94 112.240 115.237 -2.997 1
1 1076 . 10 1 1 A 95 95 ASN H H 95 8.801 8.785 0.016 1
1 1077 . 10 1 1 A 95 95 ASN HA H 95 4.942 5.512 -0.570 1
1 1082 . 10 1 1 A 95 95 ASN CA C 95 49.941 50.423 -0.482 1
1 1083 . 10 1 1 A 95 95 ASN CB C 95 39.356 39.260 0.096 1
1 1084 . 10 1 1 A 95 95 ASN N N 95 119.551 121.020 -1.469 1
1 1086 . 10 1 1 A 96 96 PRO HA H 96 4.632 4.711 -0.079 1
1 1093 . 10 1 1 A 96 96 PRO CA C 96 63.564 62.426 1.138 1
1 1094 . 10 1 1 A 96 96 PRO CB C 96 32.058 32.683 -0.625 1
1 1097 . 10 1 1 A 97 97 ALA H H 97 8.335 8.613 -0.278 1
1 1098 . 10 1 1 A 97 97 ALA HA H 97 4.436 3.990 0.446 1
1 1102 . 10 1 1 A 97 97 ALA CA C 97 52.055 53.566 -1.511 1
1 1103 . 10 1 1 A 97 97 ALA CB C 97 18.998 18.296 0.702 1
1 1104 . 10 1 1 A 97 97 ALA N N 97 121.226 119.277 1.949 1
1 1105 . 10 1 1 A 98 98 SER H H 98 7.600 7.956 -0.356 1
1 1106 . 10 1 1 A 98 98 SER HA H 98 4.168 4.421 -0.253 1
1 1109 . 10 1 1 A 98 98 SER CA C 98 60.372 59.860 0.512 1
1 1110 . 10 1 1 A 98 98 SER CB C 98 63.018 63.821 -0.803 1
1 1111 . 10 1 1 A 98 98 SER N N 98 114.935 112.141 2.794 1
1 1112 . 10 1 1 A 99 99 ASP H H 99 8.098 7.946 0.152 1
1 1113 . 10 1 1 A 99 99 ASP HA H 99 4.760 4.933 -0.173 1
1 1116 . 10 1 1 A 99 99 ASP CA C 99 54.300 52.460 1.840 1
1 1117 . 10 1 1 A 99 99 ASP CB C 99 40.835 40.849 -0.014 1
1 1118 . 10 1 1 A 99 99 ASP N N 99 119.889 121.159 -1.270 1
1 1119 . 10 1 1 A 100 100 MET H H 100 7.885 8.687 -0.802 1
1 1120 . 10 1 1 A 100 100 MET HA H 100 4.205 4.904 -0.699 1
1 1128 . 10 1 1 A 100 100 MET CA C 100 57.025 54.899 2.126 1
1 1129 . 10 1 1 A 100 100 MET CB C 100 33.038 33.751 -0.713 1
1 1132 . 10 1 1 A 100 100 MET N N 100 119.185 123.672 -4.487 1
1 1133 . 10 1 1 A 101 101 ALA H H 101 8.041 7.613 0.428 1
1 1134 . 10 1 1 A 101 101 ALA HA H 101 4.137 4.704 -0.567 1
1 1138 . 10 1 1 A 101 101 ALA CA C 101 53.655 51.342 2.313 1
1 1139 . 10 1 1 A 101 101 ALA CB C 101 18.537 21.195 -2.658 1
1 1140 . 10 1 1 A 101 101 ALA N N 101 122.264 120.959 1.305 1
1 1141 . 10 1 1 A 102 102 GLY H H 102 8.293 8.450 -0.157 1
1 1142 . 10 1 1 A 102 102 GLY HA2 H 102 3.910 4.106 -0.196 1
1 1143 . 10 1 1 A 102 102 GLY HA3 H 102 3.913 4.123 -0.210 1
1 1144 . 10 1 1 A 102 102 GLY CA C 102 45.664 45.656 0.008 1
1 1145 . 10 1 1 A 102 102 GLY N N 102 107.557 110.148 -2.591 1
1 1146 . 10 1 1 A 103 103 ALA H H 103 7.955 7.844 0.111 1
1 1147 . 10 1 1 A 103 103 ALA HA H 103 4.235 4.702 -0.467 1
1 1151 . 10 1 1 A 103 103 ALA CA C 103 53.423 51.002 2.421 1
1 1152 . 10 1 1 A 103 103 ALA CB C 103 19.219 20.916 -1.697 1
1 1153 . 10 1 1 A 103 103 ALA N N 103 123.285 121.688 1.597 1
1 1154 . 10 1 1 A 104 104 LEU H H 104 8.145 8.964 -0.819 1
1 1155 . 10 1 1 A 104 104 LEU HA H 104 4.301 4.438 -0.137 1
1 1165 . 10 1 1 A 104 104 LEU CA C 104 55.312 56.486 -1.174 1
1 1166 . 10 1 1 A 104 104 LEU CB C 104 41.644 44.086 -2.442 1
1 1170 . 10 1 1 A 104 104 LEU N N 104 118.570 126.367 -7.797 1
1 1171 . 10 1 1 A 105 105 SER H H 105 8.040 8.179 -0.139 1
1 1172 . 10 1 1 A 105 105 SER HA H 105 4.390 4.667 -0.277 1
1 1175 . 10 1 1 A 105 105 SER CA C 105 58.893 58.384 0.509 1
1 1176 . 10 1 1 A 105 105 SER CB C 105 63.424 64.079 -0.655 1
1 1177 . 10 1 1 A 105 105 SER N N 105 115.022 110.632 4.390 1
1 1178 . 10 1 1 A 106 106 THR H H 106 8.032 7.564 0.468 1
1 1179 . 10 1 1 A 106 106 THR HA H 106 4.293 5.036 -0.743 1
1 1184 . 10 1 1 A 106 106 THR CA C 106 62.037 61.468 0.569 1
1 1185 . 10 1 1 A 106 106 THR CB C 106 69.401 71.425 -2.024 1
1 1187 . 10 1 1 A 106 106 THR N N 106 115.371 112.903 2.468 1
1 1188 . 10 1 1 A 107 107 THR H H 107 7.940 8.728 -0.788 1
1 1189 . 10 1 1 A 107 107 THR HA H 107 4.296 4.823 -0.527 1
1 1194 . 10 1 1 A 107 107 THR CA C 107 61.539 60.954 0.585 1
1 1195 . 10 1 1 A 107 107 THR CB C 107 61.610 72.549 -10.939 1
1 1197 . 10 1 1 A 107 107 THR N N 107 122.759 119.074 3.685 1
1 1198 . 10 1 1 A 108 108 LYS H H 108 8.240 8.693 -0.453 1
1 1199 . 10 1 1 A 108 108 LYS HA H 108 4.241 5.108 -0.867 1
1 1208 . 10 1 1 A 108 108 LYS CA C 108 56.324 54.833 1.491 1
1 1209 . 10 1 1 A 108 108 LYS CB C 108 32.817 35.456 -2.639 1
1 1213 . 10 1 1 A 108 108 LYS N N 108 124.773 125.850 -1.077 1
1 1214 . 10 1 1 A 109 109 ALA H H 109 8.131 8.365 -0.234 1
1 1215 . 10 1 1 A 109 109 ALA HA H 109 4.224 4.601 -0.377 1
1 1219 . 10 1 1 A 109 109 ALA CA C 109 52.432 51.397 1.035 1
1 1220 . 10 1 1 A 109 109 ALA CB C 109 19.017 19.507 -0.490 1
1 1221 . 10 1 1 A 109 109 ALA N N 109 124.331 128.753 -4.422 1
1 1222 . 10 1 1 A 110 110 ARG H H 110 8.114 7.378 0.736 1
1 1223 . 10 1 1 A 110 110 ARG HA H 110 4.191 4.126 0.065 1
1 1230 . 10 1 1 A 110 110 ARG CA C 110 56.013 56.113 -0.100 1
1 1231 . 10 1 1 A 110 110 ARG CB C 110 30.871 30.314 0.557 1
1 1234 . 10 1 1 A 110 110 ARG N N 110 119.544 117.593 1.951 1
1 1235 . 10 1 1 A 111 111 HIS H H 111 8.283 8.231 0.052 1
1 1236 . 10 1 1 A 111 111 HIS HA H 111 4.604 5.025 -0.421 1
1 1240 . 10 1 1 A 111 111 HIS CA C 111 55.448 54.874 0.574 1
1 1241 . 10 1 1 A 111 111 HIS CB C 111 29.866 29.988 -0.122 1
1 1243 . 10 1 1 A 111 111 HIS N N 111 119.886 118.832 1.054 1
1 1244 . 10 1 1 A 112 112 TYR H H 112 8.179 8.550 -0.371 1
1 1245 . 10 1 1 A 112 112 TYR HA H 112 4.766 5.203 -0.437 1
1 1252 . 10 1 1 A 112 112 TYR CA C 112 55.701 55.827 -0.126 1
1 1253 . 10 1 1 A 112 112 TYR CB C 112 38.110 40.121 -2.011 1
1 1256 . 10 1 1 A 112 112 TYR N N 112 122.673 126.636 -3.963 1
1 1257 . 10 1 1 A 113 113 PRO HA H 113 4.399 4.601 -0.202 1
1 1264 . 10 1 1 A 113 113 PRO CA C 113 63.097 62.185 0.912 1
1 1265 . 10 1 1 A 113 113 PRO CB C 113 31.684 32.998 -1.314 1
1 1268 . 10 1 1 A 114 114 LEU H H 114 8.225 8.470 -0.245 1
1 1269 . 10 1 1 A 114 114 LEU HA H 114 4.265 4.432 -0.167 1
1 1279 . 10 1 1 A 114 114 LEU CA C 114 55.069 53.797 1.272 1
1 1280 . 10 1 1 A 114 114 LEU CB C 114 42.104 41.893 0.211 1
1 1284 . 10 1 1 A 114 114 LEU N N 114 121.625 121.430 0.195 1
1 1285 . 10 1 1 A 115 115 GLU H H 115 8.273 8.444 -0.171 1
1 1286 . 10 1 1 A 115 115 GLU HA H 115 4.202 4.003 0.199 1
1 1291 . 10 1 1 A 115 115 GLU CA C 115 56.402 58.789 -2.387 1
1 1292 . 10 1 1 A 115 115 GLU CB C 115 30.249 28.457 1.792 1
1 5 . 11 1 1 A 2 2 GLU HA H 2 4.399 4.166 0.233 1
1 10 . 11 1 1 A 2 2 GLU CA C 2 56.358 58.791 -2.433 1
1 11 . 11 1 1 A 2 2 GLU CB C 2 30.249 29.318 0.931 1
1 13 . 11 1 1 A 3 3 ASN H H 3 8.699 8.164 0.535 1
1 14 . 11 1 1 A 3 3 ASN HA H 3 4.753 4.961 -0.208 1
1 19 . 11 1 1 A 3 3 ASN CA C 3 53.211 53.129 0.082 1
1 20 . 11 1 1 A 3 3 ASN CB C 3 38.733 40.723 -1.990 1
1 21 . 11 1 1 A 3 3 ASN N N 3 120.234 119.614 0.620 1
1 23 . 11 1 1 A 4 4 SER H H 4 8.428 8.840 -0.412 1
1 24 . 11 1 1 A 4 4 SER HA H 4 4.395 4.298 0.097 1
1 27 . 11 1 1 A 4 4 SER CA C 4 59.048 60.795 -1.747 1
1 28 . 11 1 1 A 4 4 SER CB C 4 63.485 63.636 -0.151 1
1 29 . 11 1 1 A 4 4 SER N N 4 116.413 120.909 -4.496 1
1 30 . 11 1 1 A 5 5 GLY H H 5 8.525 7.346 1.179 1
1 31 . 11 1 1 A 5 5 GLY HA2 H 5 3.970 4.076 -0.106 1
1 32 . 11 1 1 A 5 5 GLY HA3 H 5 3.969 4.082 -0.113 1
1 33 . 11 1 1 A 5 5 GLY CA C 5 45.717 45.155 0.562 1
1 34 . 11 1 1 A 5 5 GLY N N 5 111.196 105.215 5.981 1
1 35 . 11 1 1 A 6 6 ALA H H 6 7.941 7.960 -0.019 1
1 36 . 11 1 1 A 6 6 ALA HA H 6 4.206 4.380 -0.174 1
1 40 . 11 1 1 A 6 6 ALA CA C 6 52.988 53.915 -0.927 1
1 41 . 11 1 1 A 6 6 ALA CB C 6 19.429 19.152 0.277 1
1 42 . 11 1 1 A 6 6 ALA N N 6 123.277 122.204 1.073 1
1 43 . 11 1 1 A 7 7 TYR H H 7 8.351 7.377 0.974 1
1 44 . 11 1 1 A 7 7 TYR HA H 7 4.509 4.702 -0.193 1
1 51 . 11 1 1 A 7 7 TYR CA C 7 57.528 57.166 0.362 1
1 52 . 11 1 1 A 7 7 TYR CB C 7 39.356 39.369 -0.013 1
1 55 . 11 1 1 A 7 7 TYR N N 7 114.900 112.471 2.429 1
1 56 . 11 1 1 A 8 8 THR H H 8 7.735 7.396 0.339 1
1 57 . 11 1 1 A 8 8 THR HA H 8 4.922 4.225 0.697 1
1 62 . 11 1 1 A 8 8 THR CA C 8 60.827 62.718 -1.891 1
1 63 . 11 1 1 A 8 8 THR CB C 8 70.109 69.359 0.750 1
1 65 . 11 1 1 A 8 8 THR N N 8 110.856 117.185 -6.329 1
1 66 . 11 1 1 A 9 9 PHE H H 9 8.816 9.254 -0.438 1
1 67 . 11 1 1 A 9 9 PHE HA H 9 3.825 4.086 -0.261 1
1 75 . 11 1 1 A 9 9 PHE CA C 9 62.935 62.685 0.250 1
1 76 . 11 1 1 A 9 9 PHE CB C 9 39.373 40.010 -0.637 1
1 80 . 11 1 1 A 9 9 PHE N N 9 121.282 124.627 -3.345 1
1 81 . 11 1 1 A 10 10 GLU H H 10 9.741 8.503 1.238 1
1 82 . 11 1 1 A 10 10 GLU HA H 10 3.295 4.145 -0.850 1
1 87 . 11 1 1 A 10 10 GLU CA C 10 59.586 59.445 0.141 1
1 88 . 11 1 1 A 10 10 GLU CB C 10 28.453 29.566 -1.113 1
1 90 . 11 1 1 A 10 10 GLU N N 10 117.454 119.224 -1.770 1
1 91 . 11 1 1 A 11 11 THR H H 11 7.542 7.857 -0.315 1
1 92 . 11 1 1 A 11 11 THR HA H 11 3.667 3.966 -0.299 1
1 97 . 11 1 1 A 11 11 THR CA C 11 66.550 65.424 1.126 1
1 98 . 11 1 1 A 11 11 THR CB C 11 66.557 68.584 -2.027 1
1 100 . 11 1 1 A 11 11 THR N N 11 115.970 114.248 1.722 1
1 101 . 11 1 1 A 12 12 ILE H H 12 7.724 7.812 -0.088 1
1 102 . 11 1 1 A 12 12 ILE HA H 12 3.561 3.683 -0.122 1
1 112 . 11 1 1 A 12 12 ILE CA C 12 63.395 64.482 -1.087 1
1 113 . 11 1 1 A 12 12 ILE CB C 12 36.233 36.858 -0.625 1
1 117 . 11 1 1 A 12 12 ILE N N 12 122.235 121.521 0.714 1
1 118 . 11 1 1 A 13 13 ALA H H 13 9.099 8.096 1.003 1
1 119 . 11 1 1 A 13 13 ALA HA H 13 3.975 3.865 0.110 1
1 123 . 11 1 1 A 13 13 ALA CA C 13 55.666 54.544 1.122 1
1 124 . 11 1 1 A 13 13 ALA CB C 13 20.126 17.882 2.244 1
1 125 . 11 1 1 A 13 13 ALA N N 13 122.259 121.301 0.958 1
1 126 . 11 1 1 A 14 14 ARG H H 14 8.600 8.360 0.240 1
1 127 . 11 1 1 A 14 14 ARG HA H 14 4.097 3.962 0.135 1
1 134 . 11 1 1 A 14 14 ARG CA C 14 60.889 59.377 1.512 1
1 135 . 11 1 1 A 14 14 ARG CB C 14 29.000 30.028 -1.028 1
1 138 . 11 1 1 A 14 14 ARG N N 14 116.993 117.318 -0.325 1
1 139 . 11 1 1 A 15 15 GLU H H 15 7.924 7.717 0.207 1
1 140 . 11 1 1 A 15 15 GLU HA H 15 4.085 3.872 0.213 1
1 145 . 11 1 1 A 15 15 GLU CA C 15 59.312 59.350 -0.038 1
1 146 . 11 1 1 A 15 15 GLU CB C 15 29.866 29.534 0.332 1
1 148 . 11 1 1 A 15 15 GLU N N 15 122.758 118.662 4.096 1
1 149 . 11 1 1 A 16 16 TRP H H 16 8.864 7.947 0.917 1
1 150 . 11 1 1 A 16 16 TRP HA H 16 4.740 4.423 0.317 1
1 158 . 11 1 1 A 16 16 TRP CA C 16 60.839 59.385 1.454 1
1 159 . 11 1 1 A 16 16 TRP CB C 16 26.693 28.514 -1.821 1
1 163 . 11 1 1 A 16 16 TRP N N 16 122.323 120.175 2.148 1
1 165 . 11 1 1 A 17 17 HIS H H 17 8.803 7.745 1.058 1
1 166 . 11 1 1 A 17 17 HIS HA H 17 3.076 4.241 -1.165 1
1 170 . 11 1 1 A 17 17 HIS CA C 17 60.683 58.870 1.813 1
1 171 . 11 1 1 A 17 17 HIS CB C 17 30.772 29.093 1.679 1
1 173 . 11 1 1 A 17 17 HIS N N 17 121.293 119.429 1.864 1
1 174 . 11 1 1 A 18 18 GLU H H 18 7.897 8.721 -0.824 1
1 175 . 11 1 1 A 18 18 GLU HA H 18 3.837 3.989 -0.152 1
1 180 . 11 1 1 A 18 18 GLU CA C 18 57.506 59.070 -1.564 1
1 181 . 11 1 1 A 18 18 GLU CB C 18 29.421 28.023 1.398 1
1 183 . 11 1 1 A 18 18 GLU N N 18 118.162 117.085 1.077 1
1 184 . 11 1 1 A 19 19 SER H H 19 7.461 8.140 -0.679 1
1 185 . 11 1 1 A 19 19 SER HA H 19 4.150 4.437 -0.287 1
1 188 . 11 1 1 A 19 19 SER CA C 19 60.000 60.854 -0.854 1
1 189 . 11 1 1 A 19 19 SER CB C 19 63.329 63.794 -0.465 1
1 190 . 11 1 1 A 19 19 SER N N 19 112.802 115.284 -2.482 1
1 191 . 11 1 1 A 20 20 ASN H H 20 6.638 7.871 -1.233 1
1 192 . 11 1 1 A 20 20 ASN HA H 20 4.226 4.938 -0.712 1
1 195 . 11 1 1 A 20 20 ASN CA C 20 53.211 53.105 0.106 1
1 196 . 11 1 1 A 20 20 ASN CB C 20 37.021 39.517 -2.496 1
1 197 . 11 1 1 A 20 20 ASN N N 20 121.098 119.718 1.380 1
1 198 . 11 1 1 A 21 21 LYS H H 21 8.010 8.553 -0.543 1
1 199 . 11 1 1 A 21 21 LYS HA H 21 4.077 4.497 -0.420 1
1 208 . 11 1 1 A 21 21 LYS CA C 21 56.558 56.405 0.153 1
1 209 . 11 1 1 A 21 21 LYS CB C 21 32.435 32.047 0.388 1
1 213 . 11 1 1 A 21 21 LYS N N 21 122.666 120.928 1.738 1
1 214 . 11 1 1 A 22 22 ARG H H 22 8.007 8.315 -0.308 1
1 215 . 11 1 1 A 22 22 ARG HA H 22 4.257 4.336 -0.079 1
1 222 . 11 1 1 A 22 22 ARG CA C 22 56.480 54.925 1.555 1
1 223 . 11 1 1 A 22 22 ARG CB C 22 30.000 32.433 -2.433 1
1 226 . 11 1 1 A 22 22 ARG N N 22 117.459 125.823 -8.364 1
1 227 . 11 1 1 A 23 23 TRP H H 23 7.211 7.662 -0.451 1
1 228 . 11 1 1 A 23 23 TRP HA H 23 4.938 4.854 0.084 1
1 237 . 11 1 1 A 23 23 TRP CA C 23 55.206 56.701 -1.495 1
1 238 . 11 1 1 A 23 23 TRP CB C 23 30.772 30.603 0.169 1
1 244 . 11 1 1 A 23 23 TRP N N 23 118.844 124.715 -5.871 1
1 246 . 11 1 1 A 24 24 SER H H 24 8.764 7.367 1.397 1
1 247 . 11 1 1 A 24 24 SER HA H 24 4.520 4.644 -0.124 1
1 250 . 11 1 1 A 24 24 SER CA C 24 57.647 56.616 1.031 1
1 251 . 11 1 1 A 24 24 SER CB C 24 64.419 65.019 -0.600 1
1 252 . 11 1 1 A 24 24 SER N N 24 117.454 114.786 2.668 1
1 253 . 11 1 1 A 25 25 GLU H H 25 8.976 8.970 0.006 1
1 254 . 11 1 1 A 25 25 GLU HA H 25 4.076 3.981 0.095 1
1 259 . 11 1 1 A 25 25 GLU CA C 25 59.360 59.694 -0.334 1
1 260 . 11 1 1 A 25 25 GLU CB C 25 28.960 29.538 -0.578 1
1 262 . 11 1 1 A 25 25 GLU N N 25 122.323 126.762 -4.439 1
1 263 . 11 1 1 A 26 26 ASP H H 26 8.608 7.672 0.936 1
1 264 . 11 1 1 A 26 26 ASP HA H 26 4.400 4.343 0.057 1
1 267 . 11 1 1 A 26 26 ASP CA C 26 56.327 57.127 -0.800 1
1 268 . 11 1 1 A 26 26 ASP CB C 26 40.700 41.252 -0.552 1
1 269 . 11 1 1 A 26 26 ASP N N 26 118.165 119.982 -1.817 1
1 270 . 11 1 1 A 27 27 HIS H H 27 7.891 8.270 -0.379 1
1 271 . 11 1 1 A 27 27 HIS HA H 27 4.247 3.973 0.274 1
1 275 . 11 1 1 A 27 27 HIS CA C 27 58.271 59.730 -1.459 1
1 276 . 11 1 1 A 27 27 HIS CB C 27 30.483 29.495 0.988 1
1 278 . 11 1 1 A 27 27 HIS N N 27 120.183 119.059 1.124 1
1 279 . 11 1 1 A 28 28 ARG H H 28 8.676 8.094 0.582 1
1 280 . 11 1 1 A 28 28 ARG HA H 28 3.720 3.987 -0.267 1
1 287 . 11 1 1 A 28 28 ARG CA C 28 59.444 58.226 1.218 1
1 288 . 11 1 1 A 28 28 ARG CB C 28 30.315 29.599 0.716 1
1 291 . 11 1 1 A 28 28 ARG N N 28 118.156 118.190 -0.034 1
1 292 . 11 1 1 A 29 29 SER H H 29 8.359 7.834 0.525 1
1 293 . 11 1 1 A 29 29 SER HA H 29 4.295 4.164 0.131 1
1 296 . 11 1 1 A 29 29 SER CA C 29 60.916 61.727 -0.811 1
1 297 . 11 1 1 A 29 29 SER CB C 29 62.629 63.118 -0.489 1
1 298 . 11 1 1 A 29 29 SER N N 29 115.374 118.175 -2.801 1
1 299 . 11 1 1 A 30 30 ARG H H 30 7.860 6.821 1.039 1
1 300 . 11 1 1 A 30 30 ARG HA H 30 3.850 4.064 -0.214 1
1 307 . 11 1 1 A 30 30 ARG CA C 30 59.162 58.863 0.299 1
1 308 . 11 1 1 A 30 30 ARG CB C 30 30.171 30.119 0.052 1
1 311 . 11 1 1 A 30 30 ARG N N 30 124.066 121.575 2.491 1
1 312 . 11 1 1 A 31 31 VAL H H 31 7.928 7.397 0.531 1
1 313 . 11 1 1 A 31 31 VAL HA H 31 4.728 3.906 0.822 1
1 321 . 11 1 1 A 31 31 VAL CA C 31 66.054 65.145 0.909 1
1 322 . 11 1 1 A 31 31 VAL CB C 31 31.961 31.358 0.603 1
1 325 . 11 1 1 A 31 31 VAL N N 31 116.760 116.663 0.097 1
1 326 . 11 1 1 A 32 32 LEU H H 32 7.314 7.609 -0.295 1
1 327 . 11 1 1 A 32 32 LEU HA H 32 3.867 4.029 -0.162 1
1 337 . 11 1 1 A 32 32 LEU CA C 32 57.406 58.525 -1.119 1
1 338 . 11 1 1 A 32 32 LEU CB C 32 40.912 41.386 -0.474 1
1 342 . 11 1 1 A 32 32 LEU N N 32 117.541 124.489 -6.948 1
1 343 . 11 1 1 A 33 33 ARG H H 33 7.914 8.408 -0.494 1
1 344 . 11 1 1 A 33 33 ARG HA H 33 4.070 4.063 0.007 1
1 351 . 11 1 1 A 33 33 ARG CA C 33 58.815 58.589 0.226 1
1 352 . 11 1 1 A 33 33 ARG CB C 33 29.393 30.125 -0.732 1
1 355 . 11 1 1 A 33 33 ARG N N 33 118.510 117.873 0.637 1
1 356 . 11 1 1 A 34 34 TYR H H 34 8.211 8.267 -0.056 1
1 357 . 11 1 1 A 34 34 TYR HA H 34 4.533 4.387 0.146 1
1 364 . 11 1 1 A 34 34 TYR CA C 34 59.593 61.528 -1.935 1
1 365 . 11 1 1 A 34 34 TYR CB C 34 37.021 38.587 -1.566 1
1 368 . 11 1 1 A 34 34 TYR N N 34 116.416 121.485 -5.069 1
1 369 . 11 1 1 A 35 35 LEU H H 35 7.904 8.318 -0.414 1
1 370 . 11 1 1 A 35 35 LEU HA H 35 3.670 3.904 -0.234 1
1 380 . 11 1 1 A 35 35 LEU CA C 35 57.967 58.069 -0.102 1
1 381 . 11 1 1 A 35 35 LEU CB C 35 40.740 41.201 -0.461 1
1 385 . 11 1 1 A 35 35 LEU N N 35 118.885 119.392 -0.507 1
1 386 . 11 1 1 A 36 36 GLU H H 36 8.662 7.899 0.763 1
1 387 . 11 1 1 A 36 36 GLU HA H 36 3.993 3.271 0.722 1
1 392 . 11 1 1 A 36 36 GLU CA C 36 59.749 58.437 1.312 1
1 393 . 11 1 1 A 36 36 GLU CB C 36 29.887 29.299 0.588 1
1 395 . 11 1 1 A 36 36 GLU N N 36 120.936 118.497 2.439 1
1 396 . 11 1 1 A 37 37 LEU H H 37 8.195 7.437 0.758 1
1 397 . 11 1 1 A 37 37 LEU HA H 37 3.979 4.068 -0.089 1
1 407 . 11 1 1 A 37 37 LEU CA C 37 56.947 56.441 0.506 1
1 408 . 11 1 1 A 37 37 LEU CB C 37 42.936 42.791 0.145 1
1 412 . 11 1 1 A 37 37 LEU N N 37 116.413 120.244 -3.831 1
1 413 . 11 1 1 A 38 38 TYR H H 38 7.663 7.752 -0.089 1
1 414 . 11 1 1 A 38 38 TYR HA H 38 4.951 4.436 0.515 1
1 421 . 11 1 1 A 38 38 TYR CA C 38 58.581 58.968 -0.387 1
1 422 . 11 1 1 A 38 38 TYR CB C 38 41.068 39.507 1.561 1
1 425 . 11 1 1 A 38 38 TYR N N 38 110.509 116.730 -6.221 1
1 426 . 11 1 1 A 39 39 ILE H H 39 7.833 7.409 0.424 1
1 427 . 11 1 1 A 39 39 ILE HA H 39 4.642 4.004 0.638 1
1 437 . 11 1 1 A 39 39 ILE CA C 39 60.000 63.500 -3.500 1
1 438 . 11 1 1 A 39 39 ILE CB C 39 37.111 39.124 -2.013 1
1 442 . 11 1 1 A 39 39 ILE N N 39 116.068 119.256 -3.188 1
1 443 . 11 1 1 A 40 40 PHE H H 40 9.117 7.343 1.774 1
1 444 . 11 1 1 A 40 40 PHE HA H 40 4.634 4.866 -0.232 1
1 452 . 11 1 1 A 40 40 PHE CA C 40 57.492 54.561 2.931 1
1 453 . 11 1 1 A 40 40 PHE CB C 40 34.374 38.819 -4.445 1
1 457 . 11 1 1 A 40 40 PHE N N 40 121.241 117.802 3.439 1
1 458 . 11 1 1 A 41 41 PRO HA H 41 4.388 4.958 -0.570 1
1 465 . 11 1 1 A 41 41 PRO CA C 41 66.132 65.838 0.294 1
1 466 . 11 1 1 A 41 41 PRO CB C 41 31.261 31.387 -0.126 1
1 469 . 11 1 1 A 42 42 HIS H H 42 7.153 7.646 -0.493 1
1 470 . 11 1 1 A 42 42 HIS HA H 42 4.678 4.374 0.304 1
1 474 . 11 1 1 A 42 42 HIS CA C 42 57.336 57.907 -0.571 1
1 475 . 11 1 1 A 42 42 HIS CB C 42 32.895 30.447 2.448 1
1 477 . 11 1 1 A 42 42 HIS N N 42 111.205 116.471 -5.266 1
1 478 . 11 1 1 A 43 43 ILE H H 43 7.327 7.559 -0.232 1
1 479 . 11 1 1 A 43 43 ILE HA H 43 4.938 4.250 0.688 1
1 489 . 11 1 1 A 43 43 ILE CA C 43 60.527 60.741 -0.214 1
1 490 . 11 1 1 A 43 43 ILE CB C 43 40.445 37.929 2.516 1
1 494 . 11 1 1 A 43 43 ILE N N 43 105.996 112.179 -6.183 1
1 495 . 11 1 1 A 44 44 GLY H H 44 8.958 8.392 0.566 1
1 496 . 11 1 1 A 44 44 GLY HA2 H 44 4.340 4.064 0.276 1
1 497 . 11 1 1 A 44 44 GLY HA3 H 44 3.855 4.213 -0.358 1
1 498 . 11 1 1 A 44 44 GLY CA C 44 48.385 46.108 2.277 1
1 499 . 11 1 1 A 44 44 GLY N N 44 110.704 112.847 -2.143 1
1 500 . 11 1 1 A 45 45 SER H H 45 8.294 8.050 0.244 1
1 501 . 11 1 1 A 45 45 SER HA H 45 4.517 4.367 0.150 1
1 504 . 11 1 1 A 45 45 SER CA C 45 58.270 59.411 -1.141 1
1 505 . 11 1 1 A 45 45 SER CB C 45 63.563 63.661 -0.098 1
1 506 . 11 1 1 A 45 45 SER N N 45 110.505 113.038 -2.533 1
1 507 . 11 1 1 A 46 46 SER H H 46 7.689 7.540 0.149 1
1 508 . 11 1 1 A 46 46 SER HA H 46 4.322 4.973 -0.651 1
1 511 . 11 1 1 A 46 46 SER CA C 46 59.282 57.820 1.462 1
1 512 . 11 1 1 A 46 46 SER CB C 46 63.719 63.795 -0.076 1
1 513 . 11 1 1 A 46 46 SER N N 46 119.190 118.112 1.078 1
1 514 . 11 1 1 A 47 47 ASP H H 47 8.646 8.731 -0.085 1
1 515 . 11 1 1 A 47 47 ASP HA H 47 4.446 4.760 -0.314 1
1 518 . 11 1 1 A 47 47 ASP CA C 47 54.145 53.909 0.236 1
1 519 . 11 1 1 A 47 47 ASP CB C 47 41.652 42.154 -0.502 1
1 520 . 11 1 1 A 47 47 ASP N N 47 124.868 126.135 -1.267 1
1 521 . 11 1 1 A 48 48 ILE H H 48 9.406 8.894 0.512 1
1 522 . 11 1 1 A 48 48 ILE HA H 48 4.091 4.070 0.021 1
1 532 . 11 1 1 A 48 48 ILE CA C 48 63.844 63.552 0.292 1
1 533 . 11 1 1 A 48 48 ILE CB C 48 39.845 38.225 1.620 1
1 537 . 11 1 1 A 48 48 ILE N N 48 129.573 126.759 2.814 1
1 538 . 11 1 1 A 49 49 ARG H H 49 9.004 8.914 0.090 1
1 539 . 11 1 1 A 49 49 ARG HA H 49 4.166 4.346 -0.180 1
1 546 . 11 1 1 A 49 49 ARG CA C 49 57.534 58.835 -1.301 1
1 547 . 11 1 1 A 49 49 ARG CB C 49 29.870 30.267 -0.397 1
1 548 . 11 1 1 A 49 49 ARG N N 49 119.541 119.176 0.365 1
1 549 . 11 1 1 A 50 50 GLN H H 50 7.868 7.981 -0.113 1
1 550 . 11 1 1 A 50 50 GLN HA H 50 4.498 4.652 -0.154 1
1 557 . 11 1 1 A 50 50 GLN CA C 50 54.633 55.229 -0.596 1
1 558 . 11 1 1 A 50 50 GLN CB C 50 29.548 29.127 0.421 1
1 560 . 11 1 1 A 50 50 GLN N N 50 114.374 118.794 -4.420 1
1 562 . 11 1 1 A 51 51 LEU H H 51 6.799 8.780 -1.981 1
1 563 . 11 1 1 A 51 51 LEU HA H 51 4.516 4.937 -0.421 1
1 573 . 11 1 1 A 51 51 LEU CA C 51 54.519 54.464 0.055 1
1 574 . 11 1 1 A 51 51 LEU CB C 51 43.014 44.247 -1.233 1
1 578 . 11 1 1 A 51 51 LEU N N 51 119.548 128.439 -8.891 1
1 579 . 11 1 1 A 52 52 LYS H H 52 10.373 8.627 1.746 1
1 580 . 11 1 1 A 52 52 LYS HA H 52 4.725 4.815 -0.090 1
1 589 . 11 1 1 A 52 52 LYS CA C 52 53.806 54.229 -0.423 1
1 590 . 11 1 1 A 52 52 LYS CB C 52 34.394 35.411 -1.017 1
1 594 . 11 1 1 A 52 52 LYS N N 52 125.943 123.955 1.988 1
1 595 . 11 1 1 A 53 53 THR H H 53 8.724 8.630 0.094 1
1 596 . 11 1 1 A 53 53 THR HA H 53 4.727 4.866 -0.139 1
1 601 . 11 1 1 A 53 53 THR CA C 53 57.570 61.581 -4.011 1
1 602 . 11 1 1 A 53 53 THR CB C 53 68.467 69.470 -1.003 1
1 604 . 11 1 1 A 53 53 THR N N 53 117.533 114.655 2.878 1
1 605 . 11 1 1 A 54 54 SER H H 54 8.416 8.907 -0.491 1
1 606 . 11 1 1 A 54 54 SER HA H 54 4.743 4.358 0.385 1
1 609 . 11 1 1 A 54 54 SER CA C 54 61.306 59.457 1.849 1
1 610 . 11 1 1 A 54 54 SER CB C 54 61.132 62.679 -1.547 1
1 611 . 11 1 1 A 54 54 SER N N 54 112.941 117.711 -4.770 1
1 612 . 11 1 1 A 55 55 HIS H H 55 7.077 7.794 -0.717 1
1 613 . 11 1 1 A 55 55 HIS HA H 55 4.425 4.324 0.101 1
1 617 . 11 1 1 A 55 55 HIS CA C 55 58.659 59.026 -0.367 1
1 618 . 11 1 1 A 55 55 HIS CB C 55 33.051 30.140 2.911 1
1 620 . 11 1 1 A 55 55 HIS N N 55 120.680 119.565 1.115 1
1 621 . 11 1 1 A 56 56 LEU H H 56 7.410 7.495 -0.085 1
1 622 . 11 1 1 A 56 56 LEU HA H 56 3.916 4.029 -0.113 1
1 632 . 11 1 1 A 56 56 LEU CA C 56 56.558 57.346 -0.788 1
1 633 . 11 1 1 A 56 56 LEU CB C 56 42.547 41.496 1.051 1
1 637 . 11 1 1 A 56 56 LEU N N 56 115.029 115.863 -0.834 1
1 638 . 11 1 1 A 57 57 LEU H H 57 7.906 7.717 0.189 1
1 639 . 11 1 1 A 57 57 LEU HA H 57 4.073 4.129 -0.056 1
1 649 . 11 1 1 A 57 57 LEU CA C 57 56.047 57.288 -1.241 1
1 650 . 11 1 1 A 57 57 LEU CB C 57 42.575 41.244 1.331 1
1 654 . 11 1 1 A 57 57 LEU N N 57 113.214 122.008 -8.794 1
1 655 . 11 1 1 A 58 58 ALA H H 58 7.367 7.942 -0.575 1
1 656 . 11 1 1 A 58 58 ALA HA H 58 4.176 4.121 0.055 1
1 660 . 11 1 1 A 58 58 ALA CA C 58 57.049 57.132 -0.083 1
1 661 . 11 1 1 A 58 58 ALA CB C 58 15.362 17.328 -1.966 1
1 662 . 11 1 1 A 58 58 ALA N N 58 120.662 121.931 -1.269 1
1 663 . 11 1 1 A 59 59 PRO HA H 59 4.133 4.375 -0.242 1
1 670 . 11 1 1 A 59 59 PRO CA C 59 65.120 65.684 -0.564 1
1 671 . 11 1 1 A 59 59 PRO CB C 59 31.183 30.845 0.338 1
1 674 . 11 1 1 A 60 60 ILE H H 60 6.643 7.520 -0.877 1
1 675 . 11 1 1 A 60 60 ILE HA H 60 3.383 3.893 -0.510 1
1 685 . 11 1 1 A 60 60 ILE CA C 60 64.886 63.804 1.082 1
1 686 . 11 1 1 A 60 60 ILE CB C 60 37.799 36.911 0.888 1
1 690 . 11 1 1 A 60 60 ILE N N 60 117.809 116.560 1.249 1
1 691 . 11 1 1 A 61 61 LYS H H 61 8.635 7.989 0.646 1
1 692 . 11 1 1 A 61 61 LYS HA H 61 3.992 4.100 -0.108 1
1 701 . 11 1 1 A 61 61 LYS CA C 61 59.048 59.596 -0.548 1
1 702 . 11 1 1 A 61 61 LYS CB C 61 31.678 32.133 -0.455 1
1 706 . 11 1 1 A 61 61 LYS N N 61 120.585 121.216 -0.631 1
1 707 . 11 1 1 A 62 62 GLU H H 62 7.664 8.367 -0.703 1
1 708 . 11 1 1 A 62 62 GLU HA H 62 3.992 4.091 -0.099 1
1 713 . 11 1 1 A 62 62 GLU CA C 62 59.593 59.227 0.366 1
1 714 . 11 1 1 A 62 62 GLU CB C 62 28.975 29.408 -0.433 1
1 716 . 11 1 1 A 62 62 GLU N N 62 118.505 120.031 -1.526 1
1 717 . 11 1 1 A 63 63 VAL H H 63 7.227 7.993 -0.766 1
1 718 . 11 1 1 A 63 63 VAL HA H 63 3.545 3.883 -0.338 1
1 726 . 11 1 1 A 63 63 VAL CA C 63 65.663 64.530 1.133 1
1 727 . 11 1 1 A 63 63 VAL CB C 63 31.650 31.684 -0.034 1
1 730 . 11 1 1 A 63 63 VAL N N 63 119.540 119.489 0.051 1
1 731 . 11 1 1 A 64 64 ASP H H 64 8.281 8.635 -0.354 1
1 732 . 11 1 1 A 64 64 ASP HA H 64 3.984 4.357 -0.373 1
1 735 . 11 1 1 A 64 64 ASP CA C 64 58.860 57.450 1.410 1
1 736 . 11 1 1 A 64 64 ASP CB C 64 42.561 41.709 0.852 1
1 737 . 11 1 1 A 64 64 ASP N N 64 122.316 122.314 0.002 1
1 738 . 11 1 1 A 65 65 THR H H 65 8.818 8.601 0.217 1
1 739 . 11 1 1 A 65 65 THR HA H 65 4.310 4.235 0.075 1
1 744 . 11 1 1 A 65 65 THR CA C 65 68.825 64.894 3.931 1
1 745 . 11 1 1 A 65 65 THR CB C 65 65.195 68.170 -2.975 1
1 747 . 11 1 1 A 65 65 THR N N 65 112.808 115.173 -2.365 1
1 748 . 11 1 1 A 66 66 SER H H 66 7.596 7.778 -0.182 1
1 749 . 11 1 1 A 66 66 SER HA H 66 4.469 4.487 -0.018 1
1 752 . 11 1 1 A 66 66 SER CA C 66 59.827 58.507 1.320 1
1 753 . 11 1 1 A 66 66 SER CB C 66 63.641 63.279 0.362 1
1 754 . 11 1 1 A 66 66 SER N N 66 116.412 115.426 0.986 1
1 755 . 11 1 1 A 67 67 GLY H H 67 7.781 7.986 -0.205 1
1 756 . 11 1 1 A 67 67 GLY HA2 H 67 4.467 4.080 0.387 1
1 757 . 11 1 1 A 67 67 GLY HA3 H 67 3.355 4.121 -0.766 1
1 758 . 11 1 1 A 67 67 GLY CA C 67 44.337 45.228 -0.891 1
1 759 . 11 1 1 A 67 67 GLY N N 67 108.565 107.564 1.001 1
1 760 . 11 1 1 A 68 68 LYS H H 68 6.932 7.539 -0.607 1
1 761 . 11 1 1 A 68 68 LYS HA H 68 4.706 4.497 0.209 1
1 770 . 11 1 1 A 68 68 LYS CA C 68 54.145 56.223 -2.078 1
1 771 . 11 1 1 A 68 68 LYS CB C 68 30.325 32.657 -2.332 1
1 775 . 11 1 1 A 68 68 LYS N N 68 121.979 121.767 0.212 1
1 776 . 11 1 1 A 69 69 HIS H H 69 7.630 8.330 -0.700 1
1 777 . 11 1 1 A 69 69 HIS HA H 69 4.544 4.258 0.286 1
1 780 . 11 1 1 A 69 69 HIS CA C 69 58.270 59.207 -0.937 1
1 781 . 11 1 1 A 69 69 HIS CB C 69 28.303 28.780 -0.477 1
1 782 . 11 1 1 A 69 69 HIS N N 69 119.617 118.321 1.296 1
1 783 . 11 1 1 A 70 70 ASP H H 70 8.779 7.901 0.878 1
1 784 . 11 1 1 A 70 70 ASP HA H 70 4.330 4.019 0.311 1
1 787 . 11 1 1 A 70 70 ASP CA C 70 56.869 56.907 -0.038 1
1 788 . 11 1 1 A 70 70 ASP CB C 70 39.433 40.560 -1.127 1
1 789 . 11 1 1 A 70 70 ASP N N 70 118.586 121.824 -3.238 1
1 790 . 11 1 1 A 71 71 VAL H H 71 7.575 7.802 -0.227 1
1 791 . 11 1 1 A 71 71 VAL HA H 71 3.232 3.499 -0.267 1
1 799 . 11 1 1 A 71 71 VAL CA C 71 66.131 66.362 -0.231 1
1 800 . 11 1 1 A 71 71 VAL CB C 71 31.105 31.466 -0.361 1
1 803 . 11 1 1 A 71 71 VAL N N 71 121.186 119.407 1.779 1
1 804 . 11 1 1 A 72 72 ALA H H 72 8.022 8.798 -0.776 1
1 805 . 11 1 1 A 72 72 ALA HA H 72 3.682 3.994 -0.312 1
1 809 . 11 1 1 A 72 72 ALA CA C 72 55.702 55.919 -0.217 1
1 810 . 11 1 1 A 72 72 ALA CB C 72 18.028 18.706 -0.678 1
1 811 . 11 1 1 A 72 72 ALA N N 72 120.675 122.362 -1.687 1
1 812 . 11 1 1 A 73 73 GLN H H 73 7.793 7.996 -0.203 1
1 813 . 11 1 1 A 73 73 GLN HA H 73 3.971 3.964 0.007 1
1 820 . 11 1 1 A 73 73 GLN CA C 73 58.872 59.152 -0.280 1
1 821 . 11 1 1 A 73 73 GLN CB C 73 28.073 28.362 -0.289 1
1 823 . 11 1 1 A 73 73 GLN N N 73 115.949 117.781 -1.832 1
1 825 . 11 1 1 A 74 74 ARG H H 74 7.795 7.503 0.292 1
1 826 . 11 1 1 A 74 74 ARG HA H 74 4.108 4.139 -0.031 1
1 833 . 11 1 1 A 74 74 ARG CA C 74 59.282 58.737 0.545 1
1 834 . 11 1 1 A 74 74 ARG CB C 74 29.857 29.977 -0.120 1
1 837 . 11 1 1 A 74 74 ARG N N 74 119.896 120.174 -0.278 1
1 838 . 11 1 1 A 75 75 LEU H H 75 8.850 8.277 0.573 1
1 839 . 11 1 1 A 75 75 LEU HA H 75 3.935 4.064 -0.129 1
1 849 . 11 1 1 A 75 75 LEU CA C 75 57.803 57.834 -0.031 1
1 850 . 11 1 1 A 75 75 LEU CB C 75 42.858 41.439 1.419 1
1 854 . 11 1 1 A 75 75 LEU N N 75 118.044 119.758 -1.714 1
1 855 . 11 1 1 A 76 76 GLN H H 76 8.412 9.053 -0.641 1
1 856 . 11 1 1 A 76 76 GLN HA H 76 3.790 4.072 -0.282 1
1 861 . 11 1 1 A 76 76 GLN CA C 76 60.294 58.844 1.450 1
1 862 . 11 1 1 A 76 76 GLN CB C 76 27.995 28.381 -0.386 1
1 864 . 11 1 1 A 76 76 GLN N N 76 119.109 117.602 1.507 1
1 865 . 11 1 1 A 77 77 GLN H H 77 7.788 7.854 -0.066 1
1 866 . 11 1 1 A 77 77 GLN HA H 77 4.090 4.055 0.035 1
1 873 . 11 1 1 A 77 77 GLN CA C 77 59.318 58.562 0.756 1
1 874 . 11 1 1 A 77 77 GLN CB C 77 28.054 28.587 -0.533 1
1 876 . 11 1 1 A 77 77 GLN N N 77 119.616 119.520 0.096 1
1 878 . 11 1 1 A 78 78 ARG H H 78 8.552 7.867 0.685 1
1 879 . 11 1 1 A 78 78 ARG HA H 78 4.171 3.881 0.290 1
1 886 . 11 1 1 A 78 78 ARG CA C 78 57.946 58.855 -0.909 1
1 887 . 11 1 1 A 78 78 ARG CB C 78 28.958 29.718 -0.760 1
1 890 . 11 1 1 A 78 78 ARG N N 78 118.044 118.874 -0.830 1
1 891 . 11 1 1 A 79 79 VAL H H 79 8.958 7.619 1.339 1
1 892 . 11 1 1 A 79 79 VAL HA H 79 3.603 3.833 -0.230 1
1 900 . 11 1 1 A 79 79 VAL CA C 79 67.284 65.528 1.756 1
1 901 . 11 1 1 A 79 79 VAL CB C 79 31.228 31.483 -0.255 1
1 904 . 11 1 1 A 79 79 VAL N N 79 116.998 116.597 0.401 1
1 905 . 11 1 1 A 80 80 THR H H 80 7.938 8.175 -0.237 1
1 906 . 11 1 1 A 80 80 THR HA H 80 4.301 3.811 0.490 1
1 911 . 11 1 1 A 80 80 THR CA C 80 67.976 66.842 1.134 1
1 912 . 11 1 1 A 80 80 THR CB C 80 67.466 68.354 -0.888 1
1 914 . 11 1 1 A 80 80 THR N N 80 115.701 116.627 -0.926 1
1 915 . 11 1 1 A 81 81 ALA H H 81 7.656 7.188 0.468 1
1 916 . 11 1 1 A 81 81 ALA HA H 81 4.070 3.905 0.165 1
1 920 . 11 1 1 A 81 81 ALA CA C 81 55.232 54.945 0.287 1
1 921 . 11 1 1 A 81 81 ALA CB C 81 18.087 17.836 0.251 1
1 922 . 11 1 1 A 81 81 ALA N N 81 124.407 123.337 1.070 1
1 923 . 11 1 1 A 82 82 ILE H H 82 7.901 7.528 0.373 1
1 924 . 11 1 1 A 82 82 ILE HA H 82 2.733 3.755 -1.022 1
1 934 . 11 1 1 A 82 82 ILE CA C 82 65.450 64.963 0.487 1
1 935 . 11 1 1 A 82 82 ILE CB C 82 37.569 37.946 -0.377 1
1 939 . 11 1 1 A 82 82 ILE N N 82 121.196 119.248 1.948 1
1 940 . 11 1 1 A 83 83 MET H H 83 8.258 8.199 0.059 1
1 941 . 11 1 1 A 83 83 MET HA H 83 4.556 4.120 0.436 1
1 949 . 11 1 1 A 83 83 MET CA C 83 56.403 58.359 -1.956 1
1 950 . 11 1 1 A 83 83 MET CB C 83 29.782 31.540 -1.758 1
1 953 . 11 1 1 A 83 83 MET N N 83 120.154 118.264 1.890 1
1 954 . 11 1 1 A 84 84 ARG H H 84 7.915 7.681 0.234 1
1 955 . 11 1 1 A 84 84 ARG HA H 84 4.039 3.904 0.135 1
1 962 . 11 1 1 A 84 84 ARG CA C 84 59.749 58.903 0.846 1
1 963 . 11 1 1 A 84 84 ARG CB C 84 30.000 29.449 0.551 1
1 966 . 11 1 1 A 84 84 ARG N N 84 116.534 121.030 -4.496 1
1 967 . 11 1 1 A 85 85 TYR H H 85 8.221 7.500 0.721 1
1 968 . 11 1 1 A 85 85 TYR HA H 85 4.255 4.287 -0.032 1
1 975 . 11 1 1 A 85 85 TYR CA C 85 61.382 61.150 0.232 1
1 976 . 11 1 1 A 85 85 TYR CB C 85 38.499 37.968 0.531 1
1 979 . 11 1 1 A 85 85 TYR N N 85 122.313 118.837 3.476 1
1 980 . 11 1 1 A 86 86 ALA H H 86 8.804 8.383 0.421 1
1 981 . 11 1 1 A 86 86 ALA HA H 86 4.223 4.062 0.161 1
1 985 . 11 1 1 A 86 86 ALA CA C 86 55.043 55.102 -0.059 1
1 986 . 11 1 1 A 86 86 ALA CB C 86 18.087 18.220 -0.133 1
1 987 . 11 1 1 A 86 86 ALA N N 86 123.291 123.337 -0.046 1
1 988 . 11 1 1 A 87 87 VAL H H 87 8.113 8.467 -0.354 1
1 989 . 11 1 1 A 87 87 VAL HA H 87 4.170 3.847 0.323 1
1 997 . 11 1 1 A 87 87 VAL CA C 87 65.146 64.798 0.348 1
1 998 . 11 1 1 A 87 87 VAL CB C 87 31.897 31.517 0.380 1
1 1001 . 11 1 1 A 87 87 VAL N N 87 120.144 117.053 3.091 1
1 1002 . 11 1 1 A 88 88 GLN H H 88 8.458 7.697 0.761 1
1 1003 . 11 1 1 A 88 88 GLN HA H 88 3.983 4.011 -0.028 1
1 1010 . 11 1 1 A 88 88 GLN CA C 88 58.270 58.682 -0.412 1
1 1011 . 11 1 1 A 88 88 GLN CB C 88 28.075 28.479 -0.404 1
1 1013 . 11 1 1 A 88 88 GLN N N 88 120.751 121.613 -0.862 1
1 1015 . 11 1 1 A 89 89 ASN H H 89 7.359 8.012 -0.653 1
1 1016 . 11 1 1 A 89 89 ASN HA H 89 4.486 4.917 -0.431 1
1 1021 . 11 1 1 A 89 89 ASN CA C 89 53.444 53.003 0.441 1
1 1022 . 11 1 1 A 89 89 ASN CB C 89 38.932 38.694 0.238 1
1 1023 . 11 1 1 A 89 89 ASN N N 89 113.850 115.225 -1.375 1
1 1025 . 11 1 1 A 90 90 ASP H H 90 7.849 8.410 -0.561 1
1 1026 . 11 1 1 A 90 90 ASP HA H 90 4.387 4.363 0.024 1
1 1029 . 11 1 1 A 90 90 ASP CA C 90 55.935 55.144 0.791 1
1 1030 . 11 1 1 A 90 90 ASP CB C 90 38.811 39.694 -0.883 1
1 1031 . 11 1 1 A 90 90 ASP N N 90 113.293 118.271 -4.978 1
1 1032 . 11 1 1 A 91 91 TYR H H 91 8.489 7.844 0.645 1
1 1033 . 11 1 1 A 91 91 TYR HA H 91 4.589 4.342 0.247 1
1 1040 . 11 1 1 A 91 91 TYR CA C 91 60.000 59.542 0.458 1
1 1041 . 11 1 1 A 91 91 TYR CB C 91 38.811 38.881 -0.070 1
1 1044 . 11 1 1 A 91 91 TYR N N 91 116.072 119.123 -3.051 1
1 1045 . 11 1 1 A 92 92 ILE H H 92 7.131 7.790 -0.659 1
1 1046 . 11 1 1 A 92 92 ILE HA H 92 4.684 4.392 0.292 1
1 1056 . 11 1 1 A 92 92 ILE CA C 92 59.126 61.729 -2.603 1
1 1057 . 11 1 1 A 92 92 ILE CB C 92 41.846 38.330 3.516 1
1 1061 . 11 1 1 A 92 92 ILE N N 92 107.409 113.263 -5.854 1
1 1062 . 11 1 1 A 93 93 ASP H H 93 8.731 7.905 0.826 1
1 1063 . 11 1 1 A 93 93 ASP HA H 93 4.707 4.870 -0.163 1
1 1066 . 11 1 1 A 93 93 ASP CA C 93 54.689 53.298 1.391 1
1 1067 . 11 1 1 A 93 93 ASP CB C 93 41.924 40.989 0.935 1
1 1068 . 11 1 1 A 93 93 ASP N N 93 118.847 121.897 -3.050 1
1 1069 . 11 1 1 A 94 94 SER H H 94 7.638 8.353 -0.715 1
1 1070 . 11 1 1 A 94 94 SER HA H 94 4.491 4.322 0.169 1
1 1073 . 11 1 1 A 94 94 SER CA C 94 57.102 60.609 -3.507 1
1 1074 . 11 1 1 A 94 94 SER CB C 94 64.186 61.938 2.248 1
1 1075 . 11 1 1 A 94 94 SER N N 94 112.240 115.242 -3.002 1
1 1076 . 11 1 1 A 95 95 ASN H H 95 8.801 8.660 0.141 1
1 1077 . 11 1 1 A 95 95 ASN HA H 95 4.942 5.145 -0.203 1
1 1082 . 11 1 1 A 95 95 ASN CA C 95 49.941 49.872 0.069 1
1 1083 . 11 1 1 A 95 95 ASN CB C 95 39.356 39.112 0.244 1
1 1084 . 11 1 1 A 95 95 ASN N N 95 119.551 122.896 -3.345 1
1 1086 . 11 1 1 A 96 96 PRO HA H 96 4.632 4.570 0.062 1
1 1093 . 11 1 1 A 96 96 PRO CA C 96 63.564 64.121 -0.557 1
1 1094 . 11 1 1 A 96 96 PRO CB C 96 32.058 31.858 0.200 1
1 1097 . 11 1 1 A 97 97 ALA H H 97 8.335 8.128 0.207 1
1 1098 . 11 1 1 A 97 97 ALA HA H 97 4.436 4.454 -0.018 1
1 1102 . 11 1 1 A 97 97 ALA CA C 97 52.055 51.363 0.692 1
1 1103 . 11 1 1 A 97 97 ALA CB C 97 18.998 17.991 1.007 1
1 1104 . 11 1 1 A 97 97 ALA N N 97 121.226 120.675 0.551 1
1 1105 . 11 1 1 A 98 98 SER H H 98 7.600 8.285 -0.685 1
1 1106 . 11 1 1 A 98 98 SER HA H 98 4.168 4.934 -0.766 1
1 1109 . 11 1 1 A 98 98 SER CA C 98 60.372 57.314 3.058 1
1 1110 . 11 1 1 A 98 98 SER CB C 98 63.018 66.346 -3.328 1
1 1111 . 11 1 1 A 98 98 SER N N 98 114.935 118.290 -3.355 1
1 1112 . 11 1 1 A 99 99 ASP H H 99 8.098 9.279 -1.181 1
1 1113 . 11 1 1 A 99 99 ASP HA H 99 4.760 4.470 0.290 1
1 1116 . 11 1 1 A 99 99 ASP CA C 99 54.300 55.311 -1.011 1
1 1117 . 11 1 1 A 99 99 ASP CB C 99 40.835 41.077 -0.242 1
1 1118 . 11 1 1 A 99 99 ASP N N 99 119.889 124.008 -4.119 1
1 1119 . 11 1 1 A 100 100 MET H H 100 7.885 7.960 -0.075 1
1 1120 . 11 1 1 A 100 100 MET HA H 100 4.205 4.520 -0.315 1
1 1128 . 11 1 1 A 100 100 MET CA C 100 57.025 58.029 -1.004 1
1 1129 . 11 1 1 A 100 100 MET CB C 100 33.038 32.277 0.761 1
1 1132 . 11 1 1 A 100 100 MET N N 100 119.185 119.068 0.117 1
1 1133 . 11 1 1 A 101 101 ALA H H 101 8.041 7.592 0.449 1
1 1134 . 11 1 1 A 101 101 ALA HA H 101 4.137 4.472 -0.335 1
1 1138 . 11 1 1 A 101 101 ALA CA C 101 53.655 51.936 1.719 1
1 1139 . 11 1 1 A 101 101 ALA CB C 101 18.537 19.043 -0.506 1
1 1140 . 11 1 1 A 101 101 ALA N N 101 122.264 120.003 2.261 1
1 1141 . 11 1 1 A 102 102 GLY H H 102 8.293 7.929 0.364 1
1 1142 . 11 1 1 A 102 102 GLY HA2 H 102 3.910 3.887 0.023 1
1 1143 . 11 1 1 A 102 102 GLY HA3 H 102 3.913 3.891 0.022 1
1 1144 . 11 1 1 A 102 102 GLY CA C 102 45.664 47.218 -1.554 1
1 1145 . 11 1 1 A 102 102 GLY N N 102 107.557 107.002 0.555 1
1 1146 . 11 1 1 A 103 103 ALA H H 103 7.955 7.695 0.260 1
1 1147 . 11 1 1 A 103 103 ALA HA H 103 4.235 4.734 -0.499 1
1 1151 . 11 1 1 A 103 103 ALA CA C 103 53.423 51.050 2.373 1
1 1152 . 11 1 1 A 103 103 ALA CB C 103 19.219 20.729 -1.510 1
1 1153 . 11 1 1 A 103 103 ALA N N 103 123.285 123.215 0.070 1
1 1154 . 11 1 1 A 104 104 LEU H H 104 8.145 8.604 -0.459 1
1 1155 . 11 1 1 A 104 104 LEU HA H 104 4.301 4.207 0.094 1
1 1165 . 11 1 1 A 104 104 LEU CA C 104 55.312 56.449 -1.137 1
1 1166 . 11 1 1 A 104 104 LEU CB C 104 41.644 41.288 0.356 1
1 1170 . 11 1 1 A 104 104 LEU N N 104 118.570 116.925 1.645 1
1 1171 . 11 1 1 A 105 105 SER H H 105 8.040 8.031 0.009 1
1 1172 . 11 1 1 A 105 105 SER HA H 105 4.390 4.367 0.023 1
1 1175 . 11 1 1 A 105 105 SER CA C 105 58.893 61.779 -2.886 1
1 1176 . 11 1 1 A 105 105 SER CB C 105 63.424 63.286 0.138 1
1 1177 . 11 1 1 A 105 105 SER N N 105 115.022 115.483 -0.461 1
1 1178 . 11 1 1 A 106 106 THR H H 106 8.032 7.940 0.092 1
1 1179 . 11 1 1 A 106 106 THR HA H 106 4.293 4.814 -0.521 1
1 1184 . 11 1 1 A 106 106 THR CA C 106 62.037 60.686 1.351 1
1 1185 . 11 1 1 A 106 106 THR CB C 106 69.401 70.884 -1.483 1
1 1187 . 11 1 1 A 106 106 THR N N 106 115.371 110.494 4.877 1
1 1188 . 11 1 1 A 107 107 THR H H 107 7.940 8.929 -0.989 1
1 1189 . 11 1 1 A 107 107 THR HA H 107 4.296 5.392 -1.096 1
1 1194 . 11 1 1 A 107 107 THR CA C 107 61.539 60.280 1.259 1
1 1195 . 11 1 1 A 107 107 THR CB C 107 61.610 70.726 -9.116 1
1 1197 . 11 1 1 A 107 107 THR N N 107 122.759 116.972 5.787 1
1 1198 . 11 1 1 A 108 108 LYS H H 108 8.240 8.842 -0.602 1
1 1199 . 11 1 1 A 108 108 LYS HA H 108 4.241 5.142 -0.901 1
1 1208 . 11 1 1 A 108 108 LYS CA C 108 56.324 54.782 1.542 1
1 1209 . 11 1 1 A 108 108 LYS CB C 108 32.817 36.743 -3.926 1
1 1213 . 11 1 1 A 108 108 LYS N N 108 124.773 122.013 2.760 1
1 1214 . 11 1 1 A 109 109 ALA H H 109 8.131 8.674 -0.543 1
1 1215 . 11 1 1 A 109 109 ALA HA H 109 4.224 4.448 -0.224 1
1 1219 . 11 1 1 A 109 109 ALA CA C 109 52.432 53.201 -0.769 1
1 1220 . 11 1 1 A 109 109 ALA CB C 109 19.017 19.586 -0.569 1
1 1221 . 11 1 1 A 109 109 ALA N N 109 124.331 121.475 2.856 1
1 1222 . 11 1 1 A 110 110 ARG H H 110 8.114 8.090 0.024 1
1 1223 . 11 1 1 A 110 110 ARG HA H 110 4.191 4.351 -0.160 1
1 1230 . 11 1 1 A 110 110 ARG CA C 110 56.013 56.939 -0.926 1
1 1231 . 11 1 1 A 110 110 ARG CB C 110 30.871 29.346 1.525 1
1 1234 . 11 1 1 A 110 110 ARG N N 110 119.544 115.634 3.910 1
1 1235 . 11 1 1 A 111 111 HIS H H 111 8.283 8.518 -0.235 1
1 1236 . 11 1 1 A 111 111 HIS HA H 111 4.604 4.670 -0.066 1
1 1240 . 11 1 1 A 111 111 HIS CA C 111 55.448 54.863 0.585 1
1 1241 . 11 1 1 A 111 111 HIS CB C 111 29.866 31.565 -1.699 1
1 1243 . 11 1 1 A 111 111 HIS N N 111 119.886 124.705 -4.819 1
1 1244 . 11 1 1 A 112 112 TYR H H 112 8.179 7.584 0.595 1
1 1245 . 11 1 1 A 112 112 TYR HA H 112 4.766 4.833 -0.067 1
1 1252 . 11 1 1 A 112 112 TYR CA C 112 55.701 55.852 -0.151 1
1 1253 . 11 1 1 A 112 112 TYR CB C 112 38.110 39.592 -1.482 1
1 1256 . 11 1 1 A 112 112 TYR N N 112 122.673 119.971 2.702 1
1 1257 . 11 1 1 A 113 113 PRO HA H 113 4.399 4.613 -0.214 1
1 1264 . 11 1 1 A 113 113 PRO CA C 113 63.097 63.129 -0.032 1
1 1265 . 11 1 1 A 113 113 PRO CB C 113 31.684 32.426 -0.742 1
1 1268 . 11 1 1 A 114 114 LEU H H 114 8.225 8.488 -0.263 1
1 1269 . 11 1 1 A 114 114 LEU HA H 114 4.265 3.884 0.381 1
1 1279 . 11 1 1 A 114 114 LEU CA C 114 55.069 57.640 -2.571 1
1 1280 . 11 1 1 A 114 114 LEU CB C 114 42.104 42.154 -0.050 1
1 1284 . 11 1 1 A 114 114 LEU N N 114 121.625 122.787 -1.162 1
1 1285 . 11 1 1 A 115 115 GLU H H 115 8.273 8.072 0.201 1
1 1286 . 11 1 1 A 115 115 GLU HA H 115 4.202 4.048 0.154 1
1 1291 . 11 1 1 A 115 115 GLU CA C 115 56.402 57.254 -0.852 1
1 1292 . 11 1 1 A 115 115 GLU CB C 115 30.249 28.228 2.021 1
1 5 . 12 1 1 A 2 2 GLU HA H 2 4.399 4.400 -0.001 1
1 10 . 12 1 1 A 2 2 GLU CA C 2 56.358 56.753 -0.395 1
1 11 . 12 1 1 A 2 2 GLU CB C 2 30.249 30.061 0.188 1
1 13 . 12 1 1 A 3 3 ASN H H 3 8.699 8.687 0.012 1
1 14 . 12 1 1 A 3 3 ASN HA H 3 4.753 4.751 0.002 1
1 19 . 12 1 1 A 3 3 ASN CA C 3 53.211 53.389 -0.178 1
1 20 . 12 1 1 A 3 3 ASN CB C 3 38.733 38.380 0.353 1
1 21 . 12 1 1 A 3 3 ASN N N 3 120.234 123.671 -3.437 1
1 23 . 12 1 1 A 4 4 SER H H 4 8.428 8.538 -0.110 1
1 24 . 12 1 1 A 4 4 SER HA H 4 4.395 4.661 -0.266 1
1 27 . 12 1 1 A 4 4 SER CA C 4 59.048 59.475 -0.427 1
1 28 . 12 1 1 A 4 4 SER CB C 4 63.485 65.223 -1.738 1
1 29 . 12 1 1 A 4 4 SER N N 4 116.413 122.254 -5.841 1
1 30 . 12 1 1 A 5 5 GLY H H 5 8.525 7.621 0.904 1
1 31 . 12 1 1 A 5 5 GLY HA2 H 5 3.970 4.106 -0.136 1
1 32 . 12 1 1 A 5 5 GLY HA3 H 5 3.969 4.110 -0.141 1
1 33 . 12 1 1 A 5 5 GLY CA C 5 45.717 45.037 0.680 1
1 34 . 12 1 1 A 5 5 GLY N N 5 111.196 108.546 2.650 1
1 35 . 12 1 1 A 6 6 ALA H H 6 7.941 8.835 -0.894 1
1 36 . 12 1 1 A 6 6 ALA HA H 6 4.206 4.026 0.180 1
1 40 . 12 1 1 A 6 6 ALA CA C 6 52.988 52.984 0.004 1
1 41 . 12 1 1 A 6 6 ALA CB C 6 19.429 17.887 1.542 1
1 42 . 12 1 1 A 6 6 ALA N N 6 123.277 123.924 -0.647 1
1 43 . 12 1 1 A 7 7 TYR H H 7 8.351 8.443 -0.092 1
1 44 . 12 1 1 A 7 7 TYR HA H 7 4.509 3.956 0.553 1
1 51 . 12 1 1 A 7 7 TYR CA C 7 57.528 58.588 -1.060 1
1 52 . 12 1 1 A 7 7 TYR CB C 7 39.356 36.098 3.258 1
1 55 . 12 1 1 A 7 7 TYR N N 7 114.900 122.340 -7.440 1
1 56 . 12 1 1 A 8 8 THR H H 8 7.735 7.763 -0.028 1
1 57 . 12 1 1 A 8 8 THR HA H 8 4.922 4.349 0.573 1
1 62 . 12 1 1 A 8 8 THR CA C 8 60.827 64.064 -3.237 1
1 63 . 12 1 1 A 8 8 THR CB C 8 70.109 68.866 1.243 1
1 65 . 12 1 1 A 8 8 THR N N 8 110.856 115.663 -4.807 1
1 66 . 12 1 1 A 9 9 PHE H H 9 8.816 9.735 -0.919 1
1 67 . 12 1 1 A 9 9 PHE HA H 9 3.825 3.961 -0.136 1
1 75 . 12 1 1 A 9 9 PHE CA C 9 62.935 62.479 0.456 1
1 76 . 12 1 1 A 9 9 PHE CB C 9 39.373 39.839 -0.466 1
1 80 . 12 1 1 A 9 9 PHE N N 9 121.282 125.216 -3.934 1
1 81 . 12 1 1 A 10 10 GLU H H 10 9.741 8.398 1.343 1
1 82 . 12 1 1 A 10 10 GLU HA H 10 3.295 3.815 -0.520 1
1 87 . 12 1 1 A 10 10 GLU CA C 10 59.586 59.199 0.387 1
1 88 . 12 1 1 A 10 10 GLU CB C 10 28.453 29.233 -0.780 1
1 90 . 12 1 1 A 10 10 GLU N N 10 117.454 117.580 -0.126 1
1 91 . 12 1 1 A 11 11 THR H H 11 7.542 7.730 -0.188 1
1 92 . 12 1 1 A 11 11 THR HA H 11 3.667 3.915 -0.248 1
1 97 . 12 1 1 A 11 11 THR CA C 11 66.550 66.796 -0.246 1
1 98 . 12 1 1 A 11 11 THR CB C 11 66.557 67.737 -1.180 1
1 100 . 12 1 1 A 11 11 THR N N 11 115.970 118.165 -2.195 1
1 101 . 12 1 1 A 12 12 ILE H H 12 7.724 7.690 0.034 1
1 102 . 12 1 1 A 12 12 ILE HA H 12 3.561 3.377 0.184 1
1 112 . 12 1 1 A 12 12 ILE CA C 12 63.395 65.126 -1.731 1
1 113 . 12 1 1 A 12 12 ILE CB C 12 36.233 37.761 -1.528 1
1 117 . 12 1 1 A 12 12 ILE N N 12 122.235 121.601 0.634 1
1 118 . 12 1 1 A 13 13 ALA H H 13 9.099 7.924 1.175 1
1 119 . 12 1 1 A 13 13 ALA HA H 13 3.975 3.412 0.563 1
1 123 . 12 1 1 A 13 13 ALA CA C 13 55.666 54.680 0.986 1
1 124 . 12 1 1 A 13 13 ALA CB C 13 20.126 17.697 2.429 1
1 125 . 12 1 1 A 13 13 ALA N N 13 122.259 121.534 0.725 1
1 126 . 12 1 1 A 14 14 ARG H H 14 8.600 7.636 0.964 1
1 127 . 12 1 1 A 14 14 ARG HA H 14 4.097 3.783 0.314 1
1 134 . 12 1 1 A 14 14 ARG CA C 14 60.889 58.939 1.950 1
1 135 . 12 1 1 A 14 14 ARG CB C 14 29.000 29.497 -0.497 1
1 138 . 12 1 1 A 14 14 ARG N N 14 116.993 118.323 -1.330 1
1 139 . 12 1 1 A 15 15 GLU H H 15 7.924 7.813 0.111 1
1 140 . 12 1 1 A 15 15 GLU HA H 15 4.085 3.904 0.181 1
1 145 . 12 1 1 A 15 15 GLU CA C 15 59.312 59.337 -0.025 1
1 146 . 12 1 1 A 15 15 GLU CB C 15 29.866 29.466 0.400 1
1 148 . 12 1 1 A 15 15 GLU N N 15 122.758 118.770 3.988 1
1 149 . 12 1 1 A 16 16 TRP H H 16 8.864 7.771 1.093 1
1 150 . 12 1 1 A 16 16 TRP HA H 16 4.740 4.463 0.277 1
1 158 . 12 1 1 A 16 16 TRP CA C 16 60.839 58.810 2.029 1
1 159 . 12 1 1 A 16 16 TRP CB C 16 26.693 28.078 -1.385 1
1 163 . 12 1 1 A 16 16 TRP N N 16 122.323 120.137 2.186 1
1 165 . 12 1 1 A 17 17 HIS H H 17 8.803 7.383 1.420 1
1 166 . 12 1 1 A 17 17 HIS HA H 17 3.076 4.145 -1.069 1
1 170 . 12 1 1 A 17 17 HIS CA C 17 60.683 59.880 0.803 1
1 171 . 12 1 1 A 17 17 HIS CB C 17 30.772 29.406 1.366 1
1 173 . 12 1 1 A 17 17 HIS N N 17 121.293 120.949 0.344 1
1 174 . 12 1 1 A 18 18 GLU H H 18 7.897 8.627 -0.730 1
1 175 . 12 1 1 A 18 18 GLU HA H 18 3.837 4.007 -0.170 1
1 180 . 12 1 1 A 18 18 GLU CA C 18 57.506 58.488 -0.982 1
1 181 . 12 1 1 A 18 18 GLU CB C 18 29.421 29.065 0.356 1
1 183 . 12 1 1 A 18 18 GLU N N 18 118.162 117.990 0.172 1
1 184 . 12 1 1 A 19 19 SER H H 19 7.461 8.067 -0.606 1
1 185 . 12 1 1 A 19 19 SER HA H 19 4.150 4.543 -0.393 1
1 188 . 12 1 1 A 19 19 SER CA C 19 60.000 58.542 1.458 1
1 189 . 12 1 1 A 19 19 SER CB C 19 63.329 63.783 -0.454 1
1 190 . 12 1 1 A 19 19 SER N N 19 112.802 113.721 -0.919 1
1 191 . 12 1 1 A 20 20 ASN H H 20 6.638 7.788 -1.150 1
1 192 . 12 1 1 A 20 20 ASN HA H 20 4.226 4.917 -0.691 1
1 195 . 12 1 1 A 20 20 ASN CA C 20 53.211 51.170 2.041 1
1 196 . 12 1 1 A 20 20 ASN CB C 20 37.021 41.026 -4.005 1
1 197 . 12 1 1 A 20 20 ASN N N 20 121.098 121.047 0.051 1
1 198 . 12 1 1 A 21 21 LYS H H 21 8.010 8.744 -0.734 1
1 199 . 12 1 1 A 21 21 LYS HA H 21 4.077 4.342 -0.265 1
1 208 . 12 1 1 A 21 21 LYS CA C 21 56.558 57.045 -0.487 1
1 209 . 12 1 1 A 21 21 LYS CB C 21 32.435 34.514 -2.079 1
1 213 . 12 1 1 A 21 21 LYS N N 21 122.666 121.541 1.125 1
1 214 . 12 1 1 A 22 22 ARG H H 22 8.007 7.656 0.351 1
1 215 . 12 1 1 A 22 22 ARG HA H 22 4.257 4.202 0.055 1
1 222 . 12 1 1 A 22 22 ARG CA C 22 56.480 54.616 1.864 1
1 223 . 12 1 1 A 22 22 ARG CB C 22 30.000 31.592 -1.592 1
1 226 . 12 1 1 A 22 22 ARG N N 22 117.459 119.155 -1.696 1
1 227 . 12 1 1 A 23 23 TRP H H 23 7.211 7.823 -0.612 1
1 228 . 12 1 1 A 23 23 TRP HA H 23 4.938 4.112 0.826 1
1 237 . 12 1 1 A 23 23 TRP CA C 23 55.206 57.683 -2.477 1
1 238 . 12 1 1 A 23 23 TRP CB C 23 30.772 27.726 3.046 1
1 244 . 12 1 1 A 23 23 TRP N N 23 118.844 119.230 -0.386 1
1 246 . 12 1 1 A 24 24 SER H H 24 8.764 7.886 0.878 1
1 247 . 12 1 1 A 24 24 SER HA H 24 4.520 4.621 -0.101 1
1 250 . 12 1 1 A 24 24 SER CA C 24 57.647 58.623 -0.976 1
1 251 . 12 1 1 A 24 24 SER CB C 24 64.419 64.565 -0.146 1
1 252 . 12 1 1 A 24 24 SER N N 24 117.454 115.438 2.016 1
1 253 . 12 1 1 A 25 25 GLU H H 25 8.976 9.072 -0.096 1
1 254 . 12 1 1 A 25 25 GLU HA H 25 4.076 4.036 0.040 1
1 259 . 12 1 1 A 25 25 GLU CA C 25 59.360 59.834 -0.474 1
1 260 . 12 1 1 A 25 25 GLU CB C 25 28.960 29.435 -0.475 1
1 262 . 12 1 1 A 25 25 GLU N N 25 122.323 123.999 -1.676 1
1 263 . 12 1 1 A 26 26 ASP H H 26 8.608 8.239 0.369 1
1 264 . 12 1 1 A 26 26 ASP HA H 26 4.400 4.270 0.130 1
1 267 . 12 1 1 A 26 26 ASP CA C 26 56.327 57.427 -1.100 1
1 268 . 12 1 1 A 26 26 ASP CB C 26 40.700 40.311 0.389 1
1 269 . 12 1 1 A 26 26 ASP N N 26 118.165 119.367 -1.202 1
1 270 . 12 1 1 A 27 27 HIS H H 27 7.891 7.902 -0.011 1
1 271 . 12 1 1 A 27 27 HIS HA H 27 4.247 4.378 -0.131 1
1 275 . 12 1 1 A 27 27 HIS CA C 27 58.271 59.437 -1.166 1
1 276 . 12 1 1 A 27 27 HIS CB C 27 30.483 30.341 0.142 1
1 278 . 12 1 1 A 27 27 HIS N N 27 120.183 118.615 1.568 1
1 279 . 12 1 1 A 28 28 ARG H H 28 8.676 8.610 0.066 1
1 280 . 12 1 1 A 28 28 ARG HA H 28 3.720 3.771 -0.051 1
1 287 . 12 1 1 A 28 28 ARG CA C 28 59.444 60.267 -0.823 1
1 288 . 12 1 1 A 28 28 ARG CB C 28 30.315 29.759 0.556 1
1 291 . 12 1 1 A 28 28 ARG N N 28 118.156 120.853 -2.697 1
1 292 . 12 1 1 A 29 29 SER H H 29 8.359 8.192 0.167 1
1 293 . 12 1 1 A 29 29 SER HA H 29 4.295 4.138 0.157 1
1 296 . 12 1 1 A 29 29 SER CA C 29 60.916 61.895 -0.979 1
1 297 . 12 1 1 A 29 29 SER CB C 29 62.629 63.016 -0.387 1
1 298 . 12 1 1 A 29 29 SER N N 29 115.374 117.324 -1.950 1
1 299 . 12 1 1 A 30 30 ARG H H 30 7.860 7.384 0.476 1
1 300 . 12 1 1 A 30 30 ARG HA H 30 3.850 4.155 -0.305 1
1 307 . 12 1 1 A 30 30 ARG CA C 30 59.162 58.434 0.728 1
1 308 . 12 1 1 A 30 30 ARG CB C 30 30.171 29.905 0.266 1
1 311 . 12 1 1 A 30 30 ARG N N 30 124.066 121.300 2.766 1
1 312 . 12 1 1 A 31 31 VAL H H 31 7.928 8.435 -0.507 1
1 313 . 12 1 1 A 31 31 VAL HA H 31 4.728 3.848 0.880 1
1 321 . 12 1 1 A 31 31 VAL CA C 31 66.054 64.488 1.566 1
1 322 . 12 1 1 A 31 31 VAL CB C 31 31.961 31.269 0.692 1
1 325 . 12 1 1 A 31 31 VAL N N 31 116.760 119.000 -2.240 1
1 326 . 12 1 1 A 32 32 LEU H H 32 7.314 7.880 -0.566 1
1 327 . 12 1 1 A 32 32 LEU HA H 32 3.867 3.989 -0.122 1
1 337 . 12 1 1 A 32 32 LEU CA C 32 57.406 57.964 -0.558 1
1 338 . 12 1 1 A 32 32 LEU CB C 32 40.912 41.984 -1.072 1
1 342 . 12 1 1 A 32 32 LEU N N 32 117.541 121.824 -4.283 1
1 343 . 12 1 1 A 33 33 ARG H H 33 7.914 8.062 -0.148 1
1 344 . 12 1 1 A 33 33 ARG HA H 33 4.070 3.976 0.094 1
1 351 . 12 1 1 A 33 33 ARG CA C 33 58.815 59.768 -0.953 1
1 352 . 12 1 1 A 33 33 ARG CB C 33 29.393 30.114 -0.721 1
1 355 . 12 1 1 A 33 33 ARG N N 33 118.510 120.171 -1.661 1
1 356 . 12 1 1 A 34 34 TYR H H 34 8.211 8.149 0.062 1
1 357 . 12 1 1 A 34 34 TYR HA H 34 4.533 4.181 0.352 1
1 364 . 12 1 1 A 34 34 TYR CA C 34 59.593 61.229 -1.636 1
1 365 . 12 1 1 A 34 34 TYR CB C 34 37.021 38.497 -1.476 1
1 368 . 12 1 1 A 34 34 TYR N N 34 116.416 121.094 -4.678 1
1 369 . 12 1 1 A 35 35 LEU H H 35 7.904 8.718 -0.814 1
1 370 . 12 1 1 A 35 35 LEU HA H 35 3.670 3.869 -0.199 1
1 380 . 12 1 1 A 35 35 LEU CA C 35 57.967 58.533 -0.566 1
1 381 . 12 1 1 A 35 35 LEU CB C 35 40.740 41.818 -1.078 1
1 385 . 12 1 1 A 35 35 LEU N N 35 118.885 121.135 -2.250 1
1 386 . 12 1 1 A 36 36 GLU H H 36 8.662 8.406 0.256 1
1 387 . 12 1 1 A 36 36 GLU HA H 36 3.993 4.080 -0.087 1
1 392 . 12 1 1 A 36 36 GLU CA C 36 59.749 59.491 0.258 1
1 393 . 12 1 1 A 36 36 GLU CB C 36 29.887 29.648 0.239 1
1 395 . 12 1 1 A 36 36 GLU N N 36 120.936 117.617 3.319 1
1 396 . 12 1 1 A 37 37 LEU H H 37 8.195 7.231 0.964 1
1 397 . 12 1 1 A 37 37 LEU HA H 37 3.979 4.081 -0.102 1
1 407 . 12 1 1 A 37 37 LEU CA C 37 56.947 56.703 0.244 1
1 408 . 12 1 1 A 37 37 LEU CB C 37 42.936 43.406 -0.470 1
1 412 . 12 1 1 A 37 37 LEU N N 37 116.413 119.110 -2.697 1
1 413 . 12 1 1 A 38 38 TYR H H 38 7.663 7.780 -0.117 1
1 414 . 12 1 1 A 38 38 TYR HA H 38 4.951 4.468 0.483 1
1 421 . 12 1 1 A 38 38 TYR CA C 38 58.581 58.724 -0.143 1
1 422 . 12 1 1 A 38 38 TYR CB C 38 41.068 39.900 1.168 1
1 425 . 12 1 1 A 38 38 TYR N N 38 110.509 113.338 -2.829 1
1 426 . 12 1 1 A 39 39 ILE H H 39 7.833 7.445 0.388 1
1 427 . 12 1 1 A 39 39 ILE HA H 39 4.642 3.982 0.660 1
1 437 . 12 1 1 A 39 39 ILE CA C 39 60.000 60.030 -0.030 1
1 438 . 12 1 1 A 39 39 ILE CB C 39 37.111 37.529 -0.418 1
1 442 . 12 1 1 A 39 39 ILE N N 39 116.068 118.944 -2.876 1
1 443 . 12 1 1 A 40 40 PHE H H 40 9.117 8.492 0.625 1
1 444 . 12 1 1 A 40 40 PHE HA H 40 4.634 4.112 0.522 1
1 452 . 12 1 1 A 40 40 PHE CA C 40 57.492 58.834 -1.342 1
1 453 . 12 1 1 A 40 40 PHE CB C 40 34.374 35.953 -1.579 1
1 457 . 12 1 1 A 40 40 PHE N N 40 121.241 124.910 -3.669 1
1 458 . 12 1 1 A 41 41 PRO HA H 41 4.388 4.653 -0.265 1
1 465 . 12 1 1 A 41 41 PRO CA C 41 66.132 66.275 -0.143 1
1 466 . 12 1 1 A 41 41 PRO CB C 41 31.261 31.232 0.029 1
1 469 . 12 1 1 A 42 42 HIS H H 42 7.153 7.762 -0.609 1
1 470 . 12 1 1 A 42 42 HIS HA H 42 4.678 4.628 0.050 1
1 474 . 12 1 1 A 42 42 HIS CA C 42 57.336 57.349 -0.013 1
1 475 . 12 1 1 A 42 42 HIS CB C 42 32.895 30.625 2.270 1
1 477 . 12 1 1 A 42 42 HIS N N 42 111.205 116.060 -4.855 1
1 478 . 12 1 1 A 43 43 ILE H H 43 7.327 7.540 -0.213 1
1 479 . 12 1 1 A 43 43 ILE HA H 43 4.938 4.378 0.560 1
1 489 . 12 1 1 A 43 43 ILE CA C 43 60.527 61.043 -0.516 1
1 490 . 12 1 1 A 43 43 ILE CB C 43 40.445 38.699 1.746 1
1 494 . 12 1 1 A 43 43 ILE N N 43 105.996 111.944 -5.948 1
1 495 . 12 1 1 A 44 44 GLY H H 44 8.958 8.060 0.898 1
1 496 . 12 1 1 A 44 44 GLY HA2 H 44 4.340 3.855 0.485 1
1 497 . 12 1 1 A 44 44 GLY HA3 H 44 3.855 3.985 -0.130 1
1 498 . 12 1 1 A 44 44 GLY CA C 44 48.385 45.807 2.578 1
1 499 . 12 1 1 A 44 44 GLY N N 44 110.704 111.939 -1.235 1
1 500 . 12 1 1 A 45 45 SER H H 45 8.294 8.096 0.198 1
1 501 . 12 1 1 A 45 45 SER HA H 45 4.517 4.551 -0.034 1
1 504 . 12 1 1 A 45 45 SER CA C 45 58.270 58.544 -0.274 1
1 505 . 12 1 1 A 45 45 SER CB C 45 63.563 64.109 -0.546 1
1 506 . 12 1 1 A 45 45 SER N N 45 110.505 116.246 -5.741 1
1 507 . 12 1 1 A 46 46 SER H H 46 7.689 7.358 0.331 1
1 508 . 12 1 1 A 46 46 SER HA H 46 4.322 5.001 -0.679 1
1 511 . 12 1 1 A 46 46 SER CA C 46 59.282 57.509 1.773 1
1 512 . 12 1 1 A 46 46 SER CB C 46 63.719 65.500 -1.781 1
1 513 . 12 1 1 A 46 46 SER N N 46 119.190 115.139 4.051 1
1 514 . 12 1 1 A 47 47 ASP H H 47 8.646 8.603 0.043 1
1 515 . 12 1 1 A 47 47 ASP HA H 47 4.446 4.696 -0.250 1
1 518 . 12 1 1 A 47 47 ASP CA C 47 54.145 53.813 0.332 1
1 519 . 12 1 1 A 47 47 ASP CB C 47 41.652 41.948 -0.296 1
1 520 . 12 1 1 A 47 47 ASP N N 47 124.868 125.658 -0.790 1
1 521 . 12 1 1 A 48 48 ILE H H 48 9.406 8.703 0.703 1
1 522 . 12 1 1 A 48 48 ILE HA H 48 4.091 3.783 0.308 1
1 532 . 12 1 1 A 48 48 ILE CA C 48 63.844 63.873 -0.029 1
1 533 . 12 1 1 A 48 48 ILE CB C 48 39.845 38.113 1.732 1
1 537 . 12 1 1 A 48 48 ILE N N 48 129.573 126.359 3.214 1
1 538 . 12 1 1 A 49 49 ARG H H 49 9.004 7.796 1.208 1
1 539 . 12 1 1 A 49 49 ARG HA H 49 4.166 4.205 -0.039 1
1 546 . 12 1 1 A 49 49 ARG CA C 49 57.534 58.256 -0.722 1
1 547 . 12 1 1 A 49 49 ARG CB C 49 29.870 30.252 -0.382 1
1 548 . 12 1 1 A 49 49 ARG N N 49 119.541 121.875 -2.334 1
1 549 . 12 1 1 A 50 50 GLN H H 50 7.868 8.075 -0.207 1
1 550 . 12 1 1 A 50 50 GLN HA H 50 4.498 4.496 0.002 1
1 557 . 12 1 1 A 50 50 GLN CA C 50 54.633 55.137 -0.504 1
1 558 . 12 1 1 A 50 50 GLN CB C 50 29.548 29.791 -0.243 1
1 560 . 12 1 1 A 50 50 GLN N N 50 114.374 113.830 0.544 1
1 562 . 12 1 1 A 51 51 LEU H H 51 6.799 7.235 -0.436 1
1 563 . 12 1 1 A 51 51 LEU HA H 51 4.516 4.211 0.305 1
1 573 . 12 1 1 A 51 51 LEU CA C 51 54.519 55.367 -0.848 1
1 574 . 12 1 1 A 51 51 LEU CB C 51 43.014 42.193 0.821 1
1 578 . 12 1 1 A 51 51 LEU N N 51 119.548 123.502 -3.954 1
1 579 . 12 1 1 A 52 52 LYS H H 52 10.373 8.400 1.973 1
1 580 . 12 1 1 A 52 52 LYS HA H 52 4.725 4.729 -0.004 1
1 589 . 12 1 1 A 52 52 LYS CA C 52 53.806 54.222 -0.416 1
1 590 . 12 1 1 A 52 52 LYS CB C 52 34.394 35.076 -0.682 1
1 594 . 12 1 1 A 52 52 LYS N N 52 125.943 120.154 5.789 1
1 595 . 12 1 1 A 53 53 THR H H 53 8.724 8.793 -0.069 1
1 596 . 12 1 1 A 53 53 THR HA H 53 4.727 4.607 0.120 1
1 601 . 12 1 1 A 53 53 THR CA C 53 57.570 61.290 -3.720 1
1 602 . 12 1 1 A 53 53 THR CB C 53 68.467 70.812 -2.345 1
1 604 . 12 1 1 A 53 53 THR N N 53 117.533 113.850 3.683 1
1 605 . 12 1 1 A 54 54 SER H H 54 8.416 8.990 -0.574 1
1 606 . 12 1 1 A 54 54 SER HA H 54 4.743 4.317 0.426 1
1 609 . 12 1 1 A 54 54 SER CA C 54 61.306 60.251 1.055 1
1 610 . 12 1 1 A 54 54 SER CB C 54 61.132 62.785 -1.653 1
1 611 . 12 1 1 A 54 54 SER N N 54 112.941 116.199 -3.258 1
1 612 . 12 1 1 A 55 55 HIS H H 55 7.077 7.835 -0.758 1
1 613 . 12 1 1 A 55 55 HIS HA H 55 4.425 4.313 0.112 1
1 617 . 12 1 1 A 55 55 HIS CA C 55 58.659 59.041 -0.382 1
1 618 . 12 1 1 A 55 55 HIS CB C 55 33.051 30.111 2.940 1
1 620 . 12 1 1 A 55 55 HIS N N 55 120.680 119.047 1.633 1
1 621 . 12 1 1 A 56 56 LEU H H 56 7.410 7.783 -0.373 1
1 622 . 12 1 1 A 56 56 LEU HA H 56 3.916 3.962 -0.046 1
1 632 . 12 1 1 A 56 56 LEU CA C 56 56.558 57.500 -0.942 1
1 633 . 12 1 1 A 56 56 LEU CB C 56 42.547 41.560 0.987 1
1 637 . 12 1 1 A 56 56 LEU N N 56 115.029 116.260 -1.231 1
1 638 . 12 1 1 A 57 57 LEU H H 57 7.906 7.692 0.214 1
1 639 . 12 1 1 A 57 57 LEU HA H 57 4.073 4.121 -0.048 1
1 649 . 12 1 1 A 57 57 LEU CA C 57 56.047 57.405 -1.358 1
1 650 . 12 1 1 A 57 57 LEU CB C 57 42.575 41.324 1.251 1
1 654 . 12 1 1 A 57 57 LEU N N 57 113.214 121.577 -8.363 1
1 655 . 12 1 1 A 58 58 ALA H H 58 7.367 8.060 -0.693 1
1 656 . 12 1 1 A 58 58 ALA HA H 58 4.176 4.070 0.106 1
1 660 . 12 1 1 A 58 58 ALA CA C 58 57.049 57.137 -0.088 1
1 661 . 12 1 1 A 58 58 ALA CB C 58 15.362 17.422 -2.060 1
1 662 . 12 1 1 A 58 58 ALA N N 58 120.662 121.787 -1.125 1
1 663 . 12 1 1 A 59 59 PRO HA H 59 4.133 4.669 -0.536 1
1 670 . 12 1 1 A 59 59 PRO CA C 59 65.120 65.190 -0.070 1
1 671 . 12 1 1 A 59 59 PRO CB C 59 31.183 31.395 -0.212 1
1 674 . 12 1 1 A 60 60 ILE H H 60 6.643 7.590 -0.947 1
1 675 . 12 1 1 A 60 60 ILE HA H 60 3.383 3.928 -0.545 1
1 685 . 12 1 1 A 60 60 ILE CA C 60 64.886 63.743 1.143 1
1 686 . 12 1 1 A 60 60 ILE CB C 60 37.799 37.256 0.543 1
1 690 . 12 1 1 A 60 60 ILE N N 60 117.809 116.786 1.023 1
1 691 . 12 1 1 A 61 61 LYS H H 61 8.635 8.180 0.455 1
1 692 . 12 1 1 A 61 61 LYS HA H 61 3.992 3.876 0.116 1
1 701 . 12 1 1 A 61 61 LYS CA C 61 59.048 59.590 -0.542 1
1 702 . 12 1 1 A 61 61 LYS CB C 61 31.678 32.124 -0.446 1
1 706 . 12 1 1 A 61 61 LYS N N 61 120.585 122.428 -1.843 1
1 707 . 12 1 1 A 62 62 GLU H H 62 7.664 8.081 -0.417 1
1 708 . 12 1 1 A 62 62 GLU HA H 62 3.992 4.066 -0.074 1
1 713 . 12 1 1 A 62 62 GLU CA C 62 59.593 59.262 0.331 1
1 714 . 12 1 1 A 62 62 GLU CB C 62 28.975 28.819 0.156 1
1 716 . 12 1 1 A 62 62 GLU N N 62 118.505 118.445 0.060 1
1 717 . 12 1 1 A 63 63 VAL H H 63 7.227 7.308 -0.081 1
1 718 . 12 1 1 A 63 63 VAL HA H 63 3.545 3.861 -0.316 1
1 726 . 12 1 1 A 63 63 VAL CA C 63 65.663 65.218 0.445 1
1 727 . 12 1 1 A 63 63 VAL CB C 63 31.650 31.440 0.210 1
1 730 . 12 1 1 A 63 63 VAL N N 63 119.540 116.812 2.728 1
1 731 . 12 1 1 A 64 64 ASP H H 64 8.281 8.471 -0.190 1
1 732 . 12 1 1 A 64 64 ASP HA H 64 3.984 4.415 -0.431 1
1 735 . 12 1 1 A 64 64 ASP CA C 64 58.860 57.555 1.305 1
1 736 . 12 1 1 A 64 64 ASP CB C 64 42.561 41.377 1.184 1
1 737 . 12 1 1 A 64 64 ASP N N 64 122.316 121.162 1.154 1
1 738 . 12 1 1 A 65 65 THR H H 65 8.818 8.122 0.696 1
1 739 . 12 1 1 A 65 65 THR HA H 65 4.310 4.221 0.089 1
1 744 . 12 1 1 A 65 65 THR CA C 65 68.825 64.566 4.259 1
1 745 . 12 1 1 A 65 65 THR CB C 65 65.195 68.332 -3.137 1
1 747 . 12 1 1 A 65 65 THR N N 65 112.808 115.682 -2.874 1
1 748 . 12 1 1 A 66 66 SER H H 66 7.596 7.591 0.005 1
1 749 . 12 1 1 A 66 66 SER HA H 66 4.469 4.493 -0.024 1
1 752 . 12 1 1 A 66 66 SER CA C 66 59.827 58.998 0.829 1
1 753 . 12 1 1 A 66 66 SER CB C 66 63.641 63.733 -0.092 1
1 754 . 12 1 1 A 66 66 SER N N 66 116.412 114.295 2.117 1
1 755 . 12 1 1 A 67 67 GLY H H 67 7.781 7.936 -0.155 1
1 756 . 12 1 1 A 67 67 GLY HA2 H 67 4.467 4.089 0.378 1
1 757 . 12 1 1 A 67 67 GLY HA3 H 67 3.355 4.091 -0.736 1
1 758 . 12 1 1 A 67 67 GLY CA C 67 44.337 45.436 -1.099 1
1 759 . 12 1 1 A 67 67 GLY N N 67 108.565 108.613 -0.048 1
1 760 . 12 1 1 A 68 68 LYS H H 68 6.932 8.000 -1.068 1
1 761 . 12 1 1 A 68 68 LYS HA H 68 4.706 4.463 0.243 1
1 770 . 12 1 1 A 68 68 LYS CA C 68 54.145 56.003 -1.858 1
1 771 . 12 1 1 A 68 68 LYS CB C 68 30.325 31.920 -1.595 1
1 775 . 12 1 1 A 68 68 LYS N N 68 121.979 119.064 2.915 1
1 776 . 12 1 1 A 69 69 HIS H H 69 7.630 8.163 -0.533 1
1 777 . 12 1 1 A 69 69 HIS HA H 69 4.544 4.392 0.152 1
1 780 . 12 1 1 A 69 69 HIS CA C 69 58.270 58.682 -0.412 1
1 781 . 12 1 1 A 69 69 HIS CB C 69 28.303 28.654 -0.351 1
1 782 . 12 1 1 A 69 69 HIS N N 69 119.617 119.229 0.388 1
1 783 . 12 1 1 A 70 70 ASP H H 70 8.779 8.385 0.394 1
1 784 . 12 1 1 A 70 70 ASP HA H 70 4.330 4.025 0.305 1
1 787 . 12 1 1 A 70 70 ASP CA C 70 56.869 56.721 0.148 1
1 788 . 12 1 1 A 70 70 ASP CB C 70 39.433 39.553 -0.120 1
1 789 . 12 1 1 A 70 70 ASP N N 70 118.586 120.414 -1.828 1
1 790 . 12 1 1 A 71 71 VAL H H 71 7.575 8.043 -0.468 1
1 791 . 12 1 1 A 71 71 VAL HA H 71 3.232 3.580 -0.348 1
1 799 . 12 1 1 A 71 71 VAL CA C 71 66.131 66.471 -0.340 1
1 800 . 12 1 1 A 71 71 VAL CB C 71 31.105 31.685 -0.580 1
1 803 . 12 1 1 A 71 71 VAL N N 71 121.186 121.720 -0.534 1
1 804 . 12 1 1 A 72 72 ALA H H 72 8.022 8.097 -0.075 1
1 805 . 12 1 1 A 72 72 ALA HA H 72 3.682 3.977 -0.295 1
1 809 . 12 1 1 A 72 72 ALA CA C 72 55.702 55.932 -0.230 1
1 810 . 12 1 1 A 72 72 ALA CB C 72 18.028 18.223 -0.195 1
1 811 . 12 1 1 A 72 72 ALA N N 72 120.675 122.428 -1.753 1
1 812 . 12 1 1 A 73 73 GLN H H 73 7.793 8.226 -0.433 1
1 813 . 12 1 1 A 73 73 GLN HA H 73 3.971 3.966 0.005 1
1 820 . 12 1 1 A 73 73 GLN CA C 73 58.872 59.115 -0.243 1
1 821 . 12 1 1 A 73 73 GLN CB C 73 28.073 28.240 -0.167 1
1 823 . 12 1 1 A 73 73 GLN N N 73 115.949 117.695 -1.746 1
1 825 . 12 1 1 A 74 74 ARG H H 74 7.795 7.857 -0.062 1
1 826 . 12 1 1 A 74 74 ARG HA H 74 4.108 4.120 -0.012 1
1 833 . 12 1 1 A 74 74 ARG CA C 74 59.282 58.971 0.311 1
1 834 . 12 1 1 A 74 74 ARG CB C 74 29.857 29.789 0.068 1
1 837 . 12 1 1 A 74 74 ARG N N 74 119.896 119.150 0.746 1
1 838 . 12 1 1 A 75 75 LEU H H 75 8.850 8.462 0.388 1
1 839 . 12 1 1 A 75 75 LEU HA H 75 3.935 4.077 -0.142 1
1 849 . 12 1 1 A 75 75 LEU CA C 75 57.803 58.120 -0.317 1
1 850 . 12 1 1 A 75 75 LEU CB C 75 42.858 41.746 1.112 1
1 854 . 12 1 1 A 75 75 LEU N N 75 118.044 120.129 -2.085 1
1 855 . 12 1 1 A 76 76 GLN H H 76 8.412 8.208 0.204 1
1 856 . 12 1 1 A 76 76 GLN HA H 76 3.790 4.023 -0.233 1
1 861 . 12 1 1 A 76 76 GLN CA C 76 60.294 59.291 1.003 1
1 862 . 12 1 1 A 76 76 GLN CB C 76 27.995 28.628 -0.633 1
1 864 . 12 1 1 A 76 76 GLN N N 76 119.109 118.514 0.595 1
1 865 . 12 1 1 A 77 77 GLN H H 77 7.788 7.744 0.044 1
1 866 . 12 1 1 A 77 77 GLN HA H 77 4.090 4.114 -0.024 1
1 873 . 12 1 1 A 77 77 GLN CA C 77 59.318 59.198 0.120 1
1 874 . 12 1 1 A 77 77 GLN CB C 77 28.054 28.580 -0.526 1
1 876 . 12 1 1 A 77 77 GLN N N 77 119.616 118.732 0.884 1
1 878 . 12 1 1 A 78 78 ARG H H 78 8.552 8.336 0.216 1
1 879 . 12 1 1 A 78 78 ARG HA H 78 4.171 3.896 0.275 1
1 886 . 12 1 1 A 78 78 ARG CA C 78 57.946 59.336 -1.390 1
1 887 . 12 1 1 A 78 78 ARG CB C 78 28.958 30.137 -1.179 1
1 890 . 12 1 1 A 78 78 ARG N N 78 118.044 119.907 -1.863 1
1 891 . 12 1 1 A 79 79 VAL H H 79 8.958 8.033 0.925 1
1 892 . 12 1 1 A 79 79 VAL HA H 79 3.603 4.024 -0.421 1
1 900 . 12 1 1 A 79 79 VAL CA C 79 67.284 65.687 1.597 1
1 901 . 12 1 1 A 79 79 VAL CB C 79 31.228 31.628 -0.400 1
1 904 . 12 1 1 A 79 79 VAL N N 79 116.998 115.961 1.037 1
1 905 . 12 1 1 A 80 80 THR H H 80 7.938 8.202 -0.264 1
1 906 . 12 1 1 A 80 80 THR HA H 80 4.301 3.923 0.378 1
1 911 . 12 1 1 A 80 80 THR CA C 80 67.976 66.485 1.491 1
1 912 . 12 1 1 A 80 80 THR CB C 80 67.466 68.735 -1.269 1
1 914 . 12 1 1 A 80 80 THR N N 80 115.701 116.625 -0.924 1
1 915 . 12 1 1 A 81 81 ALA H H 81 7.656 7.661 -0.005 1
1 916 . 12 1 1 A 81 81 ALA HA H 81 4.070 4.099 -0.029 1
1 920 . 12 1 1 A 81 81 ALA CA C 81 55.232 55.001 0.231 1
1 921 . 12 1 1 A 81 81 ALA CB C 81 18.087 17.988 0.099 1
1 922 . 12 1 1 A 81 81 ALA N N 81 124.407 123.631 0.776 1
1 923 . 12 1 1 A 82 82 ILE H H 82 7.901 7.873 0.028 1
1 924 . 12 1 1 A 82 82 ILE HA H 82 2.733 3.904 -1.171 1
1 934 . 12 1 1 A 82 82 ILE CA C 82 65.450 65.198 0.252 1
1 935 . 12 1 1 A 82 82 ILE CB C 82 37.569 37.799 -0.230 1
1 939 . 12 1 1 A 82 82 ILE N N 82 121.196 119.603 1.593 1
1 940 . 12 1 1 A 83 83 MET H H 83 8.258 8.562 -0.304 1
1 941 . 12 1 1 A 83 83 MET HA H 83 4.556 4.151 0.405 1
1 949 . 12 1 1 A 83 83 MET CA C 83 56.403 59.150 -2.747 1
1 950 . 12 1 1 A 83 83 MET CB C 83 29.782 32.477 -2.695 1
1 953 . 12 1 1 A 83 83 MET N N 83 120.154 118.557 1.597 1
1 954 . 12 1 1 A 84 84 ARG H H 84 7.915 7.929 -0.014 1
1 955 . 12 1 1 A 84 84 ARG HA H 84 4.039 3.819 0.220 1
1 962 . 12 1 1 A 84 84 ARG CA C 84 59.749 59.135 0.614 1
1 963 . 12 1 1 A 84 84 ARG CB C 84 30.000 29.674 0.326 1
1 966 . 12 1 1 A 84 84 ARG N N 84 116.534 120.026 -3.492 1
1 967 . 12 1 1 A 85 85 TYR H H 85 8.221 7.921 0.300 1
1 968 . 12 1 1 A 85 85 TYR HA H 85 4.255 4.297 -0.042 1
1 975 . 12 1 1 A 85 85 TYR CA C 85 61.382 61.116 0.266 1
1 976 . 12 1 1 A 85 85 TYR CB C 85 38.499 37.671 0.828 1
1 979 . 12 1 1 A 85 85 TYR N N 85 122.313 119.186 3.127 1
1 980 . 12 1 1 A 86 86 ALA H H 86 8.804 8.346 0.458 1
1 981 . 12 1 1 A 86 86 ALA HA H 86 4.223 4.442 -0.219 1
1 985 . 12 1 1 A 86 86 ALA CA C 86 55.043 55.350 -0.307 1
1 986 . 12 1 1 A 86 86 ALA CB C 86 18.087 18.555 -0.468 1
1 987 . 12 1 1 A 86 86 ALA N N 86 123.291 123.031 0.260 1
1 988 . 12 1 1 A 87 87 VAL H H 87 8.113 8.050 0.063 1
1 989 . 12 1 1 A 87 87 VAL HA H 87 4.170 3.447 0.723 1
1 997 . 12 1 1 A 87 87 VAL CA C 87 65.146 67.049 -1.903 1
1 998 . 12 1 1 A 87 87 VAL CB C 87 31.897 31.583 0.314 1
1 1001 . 12 1 1 A 87 87 VAL N N 87 120.144 118.214 1.930 1
1 1002 . 12 1 1 A 88 88 GLN H H 88 8.458 7.919 0.539 1
1 1003 . 12 1 1 A 88 88 GLN HA H 88 3.983 4.111 -0.128 1
1 1010 . 12 1 1 A 88 88 GLN CA C 88 58.270 58.828 -0.558 1
1 1011 . 12 1 1 A 88 88 GLN CB C 88 28.075 28.292 -0.217 1
1 1013 . 12 1 1 A 88 88 GLN N N 88 120.751 119.044 1.707 1
1 1015 . 12 1 1 A 89 89 ASN H H 89 7.359 7.499 -0.140 1
1 1016 . 12 1 1 A 89 89 ASN HA H 89 4.486 4.827 -0.341 1
1 1021 . 12 1 1 A 89 89 ASN CA C 89 53.444 52.992 0.452 1
1 1022 . 12 1 1 A 89 89 ASN CB C 89 38.932 39.294 -0.362 1
1 1023 . 12 1 1 A 89 89 ASN N N 89 113.850 115.887 -2.037 1
1 1025 . 12 1 1 A 90 90 ASP H H 90 7.849 8.093 -0.244 1
1 1026 . 12 1 1 A 90 90 ASP HA H 90 4.387 4.414 -0.027 1
1 1029 . 12 1 1 A 90 90 ASP CA C 90 55.935 55.332 0.603 1
1 1030 . 12 1 1 A 90 90 ASP CB C 90 38.811 38.606 0.205 1
1 1031 . 12 1 1 A 90 90 ASP N N 90 113.293 117.154 -3.861 1
1 1032 . 12 1 1 A 91 91 TYR H H 91 8.489 7.619 0.870 1
1 1033 . 12 1 1 A 91 91 TYR HA H 91 4.589 4.493 0.096 1
1 1040 . 12 1 1 A 91 91 TYR CA C 91 60.000 60.479 -0.479 1
1 1041 . 12 1 1 A 91 91 TYR CB C 91 38.811 39.450 -0.639 1
1 1044 . 12 1 1 A 91 91 TYR N N 91 116.072 116.845 -0.773 1
1 1045 . 12 1 1 A 92 92 ILE H H 92 7.131 8.092 -0.961 1
1 1046 . 12 1 1 A 92 92 ILE HA H 92 4.684 4.089 0.595 1
1 1056 . 12 1 1 A 92 92 ILE CA C 92 59.126 63.885 -4.759 1
1 1057 . 12 1 1 A 92 92 ILE CB C 92 41.846 38.786 3.060 1
1 1061 . 12 1 1 A 92 92 ILE N N 92 107.409 116.683 -9.274 1
1 1062 . 12 1 1 A 93 93 ASP H H 93 8.731 8.259 0.472 1
1 1063 . 12 1 1 A 93 93 ASP HA H 93 4.707 4.598 0.109 1
1 1066 . 12 1 1 A 93 93 ASP CA C 93 54.689 56.309 -1.620 1
1 1067 . 12 1 1 A 93 93 ASP CB C 93 41.924 40.499 1.425 1
1 1068 . 12 1 1 A 93 93 ASP N N 93 118.847 122.843 -3.996 1
1 1069 . 12 1 1 A 94 94 SER H H 94 7.638 8.661 -1.023 1
1 1070 . 12 1 1 A 94 94 SER HA H 94 4.491 4.709 -0.218 1
1 1073 . 12 1 1 A 94 94 SER CA C 94 57.102 58.529 -1.427 1
1 1074 . 12 1 1 A 94 94 SER CB C 94 64.186 65.139 -0.953 1
1 1075 . 12 1 1 A 94 94 SER N N 94 112.240 115.424 -3.184 1
1 1076 . 12 1 1 A 95 95 ASN H H 95 8.801 8.593 0.208 1
1 1077 . 12 1 1 A 95 95 ASN HA H 95 4.942 5.508 -0.566 1
1 1082 . 12 1 1 A 95 95 ASN CA C 95 49.941 50.500 -0.559 1
1 1083 . 12 1 1 A 95 95 ASN CB C 95 39.356 39.355 0.001 1
1 1084 . 12 1 1 A 95 95 ASN N N 95 119.551 120.427 -0.876 1
1 1086 . 12 1 1 A 96 96 PRO HA H 96 4.632 4.577 0.055 1
1 1093 . 12 1 1 A 96 96 PRO CA C 96 63.564 62.657 0.907 1
1 1094 . 12 1 1 A 96 96 PRO CB C 96 32.058 32.810 -0.752 1
1 1097 . 12 1 1 A 97 97 ALA H H 97 8.335 8.633 -0.298 1
1 1098 . 12 1 1 A 97 97 ALA HA H 97 4.436 4.004 0.432 1
1 1102 . 12 1 1 A 97 97 ALA CA C 97 52.055 53.350 -1.295 1
1 1103 . 12 1 1 A 97 97 ALA CB C 97 18.998 18.510 0.488 1
1 1104 . 12 1 1 A 97 97 ALA N N 97 121.226 119.972 1.254 1
1 1105 . 12 1 1 A 98 98 SER H H 98 7.600 7.886 -0.286 1
1 1106 . 12 1 1 A 98 98 SER HA H 98 4.168 4.153 0.015 1
1 1109 . 12 1 1 A 98 98 SER CA C 98 60.372 62.118 -1.746 1
1 1110 . 12 1 1 A 98 98 SER CB C 98 63.018 63.052 -0.034 1
1 1111 . 12 1 1 A 98 98 SER N N 98 114.935 112.419 2.516 1
1 1112 . 12 1 1 A 99 99 ASP H H 99 8.098 7.919 0.179 1
1 1113 . 12 1 1 A 99 99 ASP HA H 99 4.760 4.806 -0.046 1
1 1116 . 12 1 1 A 99 99 ASP CA C 99 54.300 52.389 1.911 1
1 1117 . 12 1 1 A 99 99 ASP CB C 99 40.835 40.729 0.106 1
1 1118 . 12 1 1 A 99 99 ASP N N 99 119.889 119.005 0.884 1
1 1119 . 12 1 1 A 100 100 MET H H 100 7.885 8.635 -0.750 1
1 1120 . 12 1 1 A 100 100 MET HA H 100 4.205 4.837 -0.632 1
1 1128 . 12 1 1 A 100 100 MET CA C 100 57.025 56.823 0.202 1
1 1129 . 12 1 1 A 100 100 MET CB C 100 33.038 33.890 -0.852 1
1 1132 . 12 1 1 A 100 100 MET N N 100 119.185 124.321 -5.136 1
1 1133 . 12 1 1 A 101 101 ALA H H 101 8.041 7.537 0.504 1
1 1134 . 12 1 1 A 101 101 ALA HA H 101 4.137 4.670 -0.533 1
1 1138 . 12 1 1 A 101 101 ALA CA C 101 53.655 50.650 3.005 1
1 1139 . 12 1 1 A 101 101 ALA CB C 101 18.537 19.457 -0.920 1
1 1140 . 12 1 1 A 101 101 ALA N N 101 122.264 121.467 0.797 1
1 1141 . 12 1 1 A 102 102 GLY H H 102 8.293 8.434 -0.141 1
1 1142 . 12 1 1 A 102 102 GLY HA2 H 102 3.910 4.222 -0.312 1
1 1143 . 12 1 1 A 102 102 GLY HA3 H 102 3.913 4.226 -0.313 1
1 1144 . 12 1 1 A 102 102 GLY CA C 102 45.664 45.731 -0.067 1
1 1145 . 12 1 1 A 102 102 GLY N N 102 107.557 110.175 -2.618 1
1 1146 . 12 1 1 A 103 103 ALA H H 103 7.955 8.696 -0.741 1
1 1147 . 12 1 1 A 103 103 ALA HA H 103 4.235 3.973 0.262 1
1 1151 . 12 1 1 A 103 103 ALA CA C 103 53.423 52.744 0.679 1
1 1152 . 12 1 1 A 103 103 ALA CB C 103 19.219 17.560 1.659 1
1 1153 . 12 1 1 A 103 103 ALA N N 103 123.285 124.546 -1.261 1
1 1154 . 12 1 1 A 104 104 LEU H H 104 8.145 8.069 0.076 1
1 1155 . 12 1 1 A 104 104 LEU HA H 104 4.301 4.293 0.008 1
1 1165 . 12 1 1 A 104 104 LEU CA C 104 55.312 56.511 -1.199 1
1 1166 . 12 1 1 A 104 104 LEU CB C 104 41.644 42.222 -0.578 1
1 1170 . 12 1 1 A 104 104 LEU N N 104 118.570 122.752 -4.182 1
1 1171 . 12 1 1 A 105 105 SER H H 105 8.040 8.206 -0.166 1
1 1172 . 12 1 1 A 105 105 SER HA H 105 4.390 4.697 -0.307 1
1 1175 . 12 1 1 A 105 105 SER CA C 105 58.893 59.768 -0.875 1
1 1176 . 12 1 1 A 105 105 SER CB C 105 63.424 64.894 -1.470 1
1 1177 . 12 1 1 A 105 105 SER N N 105 115.022 114.153 0.869 1
1 1178 . 12 1 1 A 106 106 THR H H 106 8.032 7.946 0.086 1
1 1179 . 12 1 1 A 106 106 THR HA H 106 4.293 4.788 -0.495 1
1 1184 . 12 1 1 A 106 106 THR CA C 106 62.037 60.466 1.571 1
1 1185 . 12 1 1 A 106 106 THR CB C 106 69.401 71.799 -2.398 1
1 1187 . 12 1 1 A 106 106 THR N N 106 115.371 110.082 5.289 1
1 1188 . 12 1 1 A 107 107 THR H H 107 7.940 8.894 -0.954 1
1 1189 . 12 1 1 A 107 107 THR HA H 107 4.296 4.471 -0.175 1
1 1194 . 12 1 1 A 107 107 THR CA C 107 61.539 62.787 -1.248 1
1 1195 . 12 1 1 A 107 107 THR CB C 107 61.610 69.525 -7.915 1
1 1197 . 12 1 1 A 107 107 THR N N 107 122.759 121.268 1.491 1
1 1198 . 12 1 1 A 108 108 LYS H H 108 8.240 8.748 -0.508 1
1 1199 . 12 1 1 A 108 108 LYS HA H 108 4.241 4.843 -0.602 1
1 1208 . 12 1 1 A 108 108 LYS CA C 108 56.324 55.132 1.192 1
1 1209 . 12 1 1 A 108 108 LYS CB C 108 32.817 34.402 -1.585 1
1 1213 . 12 1 1 A 108 108 LYS N N 108 124.773 125.252 -0.479 1
1 1214 . 12 1 1 A 109 109 ALA H H 109 8.131 8.359 -0.228 1
1 1215 . 12 1 1 A 109 109 ALA HA H 109 4.224 4.419 -0.195 1
1 1219 . 12 1 1 A 109 109 ALA CA C 109 52.432 52.807 -0.375 1
1 1220 . 12 1 1 A 109 109 ALA CB C 109 19.017 21.049 -2.032 1
1 1221 . 12 1 1 A 109 109 ALA N N 109 124.331 126.601 -2.270 1
1 1222 . 12 1 1 A 110 110 ARG H H 110 8.114 8.136 -0.022 1
1 1223 . 12 1 1 A 110 110 ARG HA H 110 4.191 4.053 0.138 1
1 1230 . 12 1 1 A 110 110 ARG CA C 110 56.013 57.043 -1.030 1
1 1231 . 12 1 1 A 110 110 ARG CB C 110 30.871 28.799 2.072 1
1 1234 . 12 1 1 A 110 110 ARG N N 110 119.544 118.030 1.514 1
1 1235 . 12 1 1 A 111 111 HIS H H 111 8.283 8.052 0.231 1
1 1236 . 12 1 1 A 111 111 HIS HA H 111 4.604 4.980 -0.376 1
1 1240 . 12 1 1 A 111 111 HIS CA C 111 55.448 54.879 0.569 1
1 1241 . 12 1 1 A 111 111 HIS CB C 111 29.866 32.785 -2.919 1
1 1243 . 12 1 1 A 111 111 HIS N N 111 119.886 122.787 -2.901 1
1 1244 . 12 1 1 A 112 112 TYR H H 112 8.179 8.951 -0.772 1
1 1245 . 12 1 1 A 112 112 TYR HA H 112 4.766 4.536 0.230 1
1 1252 . 12 1 1 A 112 112 TYR CA C 112 55.701 56.766 -1.065 1
1 1253 . 12 1 1 A 112 112 TYR CB C 112 38.110 39.189 -1.079 1
1 1256 . 12 1 1 A 112 112 TYR N N 112 122.673 128.897 -6.224 1
1 1257 . 12 1 1 A 113 113 PRO HA H 113 4.399 4.464 -0.065 1
1 1264 . 12 1 1 A 113 113 PRO CA C 113 63.097 61.965 1.132 1
1 1265 . 12 1 1 A 113 113 PRO CB C 113 31.684 31.229 0.455 1
1 1268 . 12 1 1 A 114 114 LEU H H 114 8.225 8.568 -0.343 1
1 1269 . 12 1 1 A 114 114 LEU HA H 114 4.265 4.301 -0.036 1
1 1279 . 12 1 1 A 114 114 LEU CA C 114 55.069 56.214 -1.145 1
1 1280 . 12 1 1 A 114 114 LEU CB C 114 42.104 43.414 -1.310 1
1 1284 . 12 1 1 A 114 114 LEU N N 114 121.625 125.361 -3.736 1
1 1285 . 12 1 1 A 115 115 GLU H H 115 8.273 7.441 0.832 1
1 1286 . 12 1 1 A 115 115 GLU HA H 115 4.202 4.779 -0.577 1
1 1291 . 12 1 1 A 115 115 GLU CA C 115 56.402 54.826 1.576 1
1 1292 . 12 1 1 A 115 115 GLU CB C 115 30.249 31.674 -1.425 1
1 5 . 13 1 1 A 2 2 GLU HA H 2 4.399 4.570 -0.171 1
1 10 . 13 1 1 A 2 2 GLU CA C 2 56.358 55.959 0.399 1
1 11 . 13 1 1 A 2 2 GLU CB C 2 30.249 30.108 0.141 1
1 13 . 13 1 1 A 3 3 ASN H H 3 8.699 9.130 -0.431 1
1 14 . 13 1 1 A 3 3 ASN HA H 3 4.753 5.098 -0.345 1
1 19 . 13 1 1 A 3 3 ASN CA C 3 53.211 52.241 0.970 1
1 20 . 13 1 1 A 3 3 ASN CB C 3 38.733 38.062 0.671 1
1 21 . 13 1 1 A 3 3 ASN N N 3 120.234 124.297 -4.063 1
1 23 . 13 1 1 A 4 4 SER H H 4 8.428 8.958 -0.530 1
1 24 . 13 1 1 A 4 4 SER HA H 4 4.395 4.940 -0.545 1
1 27 . 13 1 1 A 4 4 SER CA C 4 59.048 58.247 0.801 1
1 28 . 13 1 1 A 4 4 SER CB C 4 63.485 63.454 0.031 1
1 29 . 13 1 1 A 4 4 SER N N 4 116.413 123.249 -6.836 1
1 30 . 13 1 1 A 5 5 GLY H H 5 8.525 8.488 0.037 1
1 31 . 13 1 1 A 5 5 GLY HA2 H 5 3.970 4.308 -0.338 1
1 32 . 13 1 1 A 5 5 GLY HA3 H 5 3.969 4.327 -0.358 1
1 33 . 13 1 1 A 5 5 GLY CA C 5 45.717 45.627 0.090 1
1 34 . 13 1 1 A 5 5 GLY N N 5 111.196 112.450 -1.254 1
1 35 . 13 1 1 A 6 6 ALA H H 6 7.941 8.627 -0.686 1
1 36 . 13 1 1 A 6 6 ALA HA H 6 4.206 4.414 -0.208 1
1 40 . 13 1 1 A 6 6 ALA CA C 6 52.988 53.495 -0.507 1
1 41 . 13 1 1 A 6 6 ALA CB C 6 19.429 19.083 0.346 1
1 42 . 13 1 1 A 6 6 ALA N N 6 123.277 123.220 0.057 1
1 43 . 13 1 1 A 7 7 TYR H H 7 8.351 7.515 0.836 1
1 44 . 13 1 1 A 7 7 TYR HA H 7 4.509 4.851 -0.342 1
1 51 . 13 1 1 A 7 7 TYR CA C 7 57.528 57.161 0.367 1
1 52 . 13 1 1 A 7 7 TYR CB C 7 39.356 40.124 -0.768 1
1 55 . 13 1 1 A 7 7 TYR N N 7 114.900 112.643 2.257 1
1 56 . 13 1 1 A 8 8 THR H H 8 7.735 7.349 0.386 1
1 57 . 13 1 1 A 8 8 THR HA H 8 4.922 4.629 0.293 1
1 62 . 13 1 1 A 8 8 THR CA C 8 60.827 60.185 0.642 1
1 63 . 13 1 1 A 8 8 THR CB C 8 70.109 70.415 -0.306 1
1 65 . 13 1 1 A 8 8 THR N N 8 110.856 111.523 -0.667 1
1 66 . 13 1 1 A 9 9 PHE H H 9 8.816 8.982 -0.166 1
1 67 . 13 1 1 A 9 9 PHE HA H 9 3.825 4.064 -0.239 1
1 75 . 13 1 1 A 9 9 PHE CA C 9 62.935 61.895 1.040 1
1 76 . 13 1 1 A 9 9 PHE CB C 9 39.373 38.921 0.452 1
1 80 . 13 1 1 A 9 9 PHE N N 9 121.282 122.092 -0.810 1
1 81 . 13 1 1 A 10 10 GLU H H 10 9.741 8.242 1.499 1
1 82 . 13 1 1 A 10 10 GLU HA H 10 3.295 3.930 -0.635 1
1 87 . 13 1 1 A 10 10 GLU CA C 10 59.586 59.486 0.100 1
1 88 . 13 1 1 A 10 10 GLU CB C 10 28.453 29.416 -0.963 1
1 90 . 13 1 1 A 10 10 GLU N N 10 117.454 117.605 -0.151 1
1 91 . 13 1 1 A 11 11 THR H H 11 7.542 7.770 -0.228 1
1 92 . 13 1 1 A 11 11 THR HA H 11 3.667 3.976 -0.309 1
1 97 . 13 1 1 A 11 11 THR CA C 11 66.550 65.282 1.268 1
1 98 . 13 1 1 A 11 11 THR CB C 11 66.557 68.582 -2.025 1
1 100 . 13 1 1 A 11 11 THR N N 11 115.970 114.398 1.572 1
1 101 . 13 1 1 A 12 12 ILE H H 12 7.724 8.023 -0.299 1
1 102 . 13 1 1 A 12 12 ILE HA H 12 3.561 3.748 -0.187 1
1 112 . 13 1 1 A 12 12 ILE CA C 12 63.395 65.218 -1.823 1
1 113 . 13 1 1 A 12 12 ILE CB C 12 36.233 37.936 -1.703 1
1 117 . 13 1 1 A 12 12 ILE N N 12 122.235 121.567 0.668 1
1 118 . 13 1 1 A 13 13 ALA H H 13 9.099 7.620 1.479 1
1 119 . 13 1 1 A 13 13 ALA HA H 13 3.975 3.290 0.685 1
1 123 . 13 1 1 A 13 13 ALA CA C 13 55.666 54.787 0.879 1
1 124 . 13 1 1 A 13 13 ALA CB C 13 20.126 17.860 2.266 1
1 125 . 13 1 1 A 13 13 ALA N N 13 122.259 121.919 0.340 1
1 126 . 13 1 1 A 14 14 ARG H H 14 8.600 7.838 0.762 1
1 127 . 13 1 1 A 14 14 ARG HA H 14 4.097 3.901 0.196 1
1 134 . 13 1 1 A 14 14 ARG CA C 14 60.889 58.899 1.990 1
1 135 . 13 1 1 A 14 14 ARG CB C 14 29.000 29.612 -0.612 1
1 138 . 13 1 1 A 14 14 ARG N N 14 116.993 118.433 -1.440 1
1 139 . 13 1 1 A 15 15 GLU H H 15 7.924 7.459 0.465 1
1 140 . 13 1 1 A 15 15 GLU HA H 15 4.085 4.023 0.062 1
1 145 . 13 1 1 A 15 15 GLU CA C 15 59.312 59.241 0.071 1
1 146 . 13 1 1 A 15 15 GLU CB C 15 29.866 29.618 0.248 1
1 148 . 13 1 1 A 15 15 GLU N N 15 122.758 118.271 4.487 1
1 149 . 13 1 1 A 16 16 TRP H H 16 8.864 7.833 1.031 1
1 150 . 13 1 1 A 16 16 TRP HA H 16 4.740 4.376 0.364 1
1 158 . 13 1 1 A 16 16 TRP CA C 16 60.839 59.381 1.458 1
1 159 . 13 1 1 A 16 16 TRP CB C 16 26.693 28.540 -1.847 1
1 163 . 13 1 1 A 16 16 TRP N N 16 122.323 120.203 2.120 1
1 165 . 13 1 1 A 17 17 HIS H H 17 8.803 7.234 1.569 1
1 166 . 13 1 1 A 17 17 HIS HA H 17 3.076 4.168 -1.092 1
1 170 . 13 1 1 A 17 17 HIS CA C 17 60.683 58.661 2.022 1
1 171 . 13 1 1 A 17 17 HIS CB C 17 30.772 29.538 1.234 1
1 173 . 13 1 1 A 17 17 HIS N N 17 121.293 120.506 0.787 1
1 174 . 13 1 1 A 18 18 GLU H H 18 7.897 8.002 -0.105 1
1 175 . 13 1 1 A 18 18 GLU HA H 18 3.837 3.825 0.012 1
1 180 . 13 1 1 A 18 18 GLU CA C 18 57.506 59.559 -2.053 1
1 181 . 13 1 1 A 18 18 GLU CB C 18 29.421 29.337 0.084 1
1 183 . 13 1 1 A 18 18 GLU N N 18 118.162 118.892 -0.730 1
1 184 . 13 1 1 A 19 19 SER H H 19 7.461 7.890 -0.429 1
1 185 . 13 1 1 A 19 19 SER HA H 19 4.150 4.430 -0.280 1
1 188 . 13 1 1 A 19 19 SER CA C 19 60.000 58.925 1.075 1
1 189 . 13 1 1 A 19 19 SER CB C 19 63.329 63.566 -0.237 1
1 190 . 13 1 1 A 19 19 SER N N 19 112.802 113.649 -0.847 1
1 191 . 13 1 1 A 20 20 ASN H H 20 6.638 7.632 -0.994 1
1 192 . 13 1 1 A 20 20 ASN HA H 20 4.226 4.931 -0.705 1
1 195 . 13 1 1 A 20 20 ASN CA C 20 53.211 51.933 1.278 1
1 196 . 13 1 1 A 20 20 ASN CB C 20 37.021 40.206 -3.185 1
1 197 . 13 1 1 A 20 20 ASN N N 20 121.098 119.405 1.693 1
1 198 . 13 1 1 A 21 21 LYS H H 21 8.010 7.786 0.224 1
1 199 . 13 1 1 A 21 21 LYS HA H 21 4.077 4.280 -0.203 1
1 208 . 13 1 1 A 21 21 LYS CA C 21 56.558 57.350 -0.792 1
1 209 . 13 1 1 A 21 21 LYS CB C 21 32.435 34.214 -1.779 1
1 213 . 13 1 1 A 21 21 LYS N N 21 122.666 125.876 -3.210 1
1 214 . 13 1 1 A 22 22 ARG H H 22 8.007 7.385 0.622 1
1 215 . 13 1 1 A 22 22 ARG HA H 22 4.257 4.260 -0.003 1
1 222 . 13 1 1 A 22 22 ARG CA C 22 56.480 55.259 1.221 1
1 223 . 13 1 1 A 22 22 ARG CB C 22 30.000 33.193 -3.193 1
1 226 . 13 1 1 A 22 22 ARG N N 22 117.459 117.338 0.121 1
1 227 . 13 1 1 A 23 23 TRP H H 23 7.211 8.290 -1.079 1
1 228 . 13 1 1 A 23 23 TRP HA H 23 4.938 4.884 0.054 1
1 237 . 13 1 1 A 23 23 TRP CA C 23 55.206 56.947 -1.741 1
1 238 . 13 1 1 A 23 23 TRP CB C 23 30.772 28.856 1.916 1
1 244 . 13 1 1 A 23 23 TRP N N 23 118.844 128.432 -9.588 1
1 246 . 13 1 1 A 24 24 SER H H 24 8.764 7.997 0.767 1
1 247 . 13 1 1 A 24 24 SER HA H 24 4.520 4.841 -0.321 1
1 250 . 13 1 1 A 24 24 SER CA C 24 57.647 57.808 -0.161 1
1 251 . 13 1 1 A 24 24 SER CB C 24 64.419 65.928 -1.509 1
1 252 . 13 1 1 A 24 24 SER N N 24 117.454 117.974 -0.520 1
1 253 . 13 1 1 A 25 25 GLU H H 25 8.976 9.188 -0.212 1
1 254 . 13 1 1 A 25 25 GLU HA H 25 4.076 4.124 -0.048 1
1 259 . 13 1 1 A 25 25 GLU CA C 25 59.360 59.133 0.227 1
1 260 . 13 1 1 A 25 25 GLU CB C 25 28.960 29.028 -0.068 1
1 262 . 13 1 1 A 25 25 GLU N N 25 122.323 124.052 -1.729 1
1 263 . 13 1 1 A 26 26 ASP H H 26 8.608 8.225 0.383 1
1 264 . 13 1 1 A 26 26 ASP HA H 26 4.400 4.396 0.004 1
1 267 . 13 1 1 A 26 26 ASP CA C 26 56.327 57.386 -1.059 1
1 268 . 13 1 1 A 26 26 ASP CB C 26 40.700 41.091 -0.391 1
1 269 . 13 1 1 A 26 26 ASP N N 26 118.165 120.505 -2.340 1
1 270 . 13 1 1 A 27 27 HIS H H 27 7.891 7.946 -0.055 1
1 271 . 13 1 1 A 27 27 HIS HA H 27 4.247 4.320 -0.073 1
1 275 . 13 1 1 A 27 27 HIS CA C 27 58.271 59.205 -0.934 1
1 276 . 13 1 1 A 27 27 HIS CB C 27 30.483 30.152 0.331 1
1 278 . 13 1 1 A 27 27 HIS N N 27 120.183 118.520 1.663 1
1 279 . 13 1 1 A 28 28 ARG H H 28 8.676 8.711 -0.035 1
1 280 . 13 1 1 A 28 28 ARG HA H 28 3.720 3.815 -0.095 1
1 287 . 13 1 1 A 28 28 ARG CA C 28 59.444 60.125 -0.681 1
1 288 . 13 1 1 A 28 28 ARG CB C 28 30.315 29.741 0.574 1
1 291 . 13 1 1 A 28 28 ARG N N 28 118.156 120.104 -1.948 1
1 292 . 13 1 1 A 29 29 SER H H 29 8.359 7.891 0.468 1
1 293 . 13 1 1 A 29 29 SER HA H 29 4.295 4.263 0.032 1
1 296 . 13 1 1 A 29 29 SER CA C 29 60.916 61.272 -0.356 1
1 297 . 13 1 1 A 29 29 SER CB C 29 62.629 62.785 -0.156 1
1 298 . 13 1 1 A 29 29 SER N N 29 115.374 114.336 1.038 1
1 299 . 13 1 1 A 30 30 ARG H H 30 7.860 7.943 -0.083 1
1 300 . 13 1 1 A 30 30 ARG HA H 30 3.850 4.096 -0.246 1
1 307 . 13 1 1 A 30 30 ARG CA C 30 59.162 58.910 0.252 1
1 308 . 13 1 1 A 30 30 ARG CB C 30 30.171 29.913 0.258 1
1 311 . 13 1 1 A 30 30 ARG N N 30 124.066 119.299 4.767 1
1 312 . 13 1 1 A 31 31 VAL H H 31 7.928 7.332 0.596 1
1 313 . 13 1 1 A 31 31 VAL HA H 31 4.728 3.939 0.789 1
1 321 . 13 1 1 A 31 31 VAL CA C 31 66.054 65.310 0.744 1
1 322 . 13 1 1 A 31 31 VAL CB C 31 31.961 31.317 0.644 1
1 325 . 13 1 1 A 31 31 VAL N N 31 116.760 115.968 0.792 1
1 326 . 13 1 1 A 32 32 LEU H H 32 7.314 7.831 -0.517 1
1 327 . 13 1 1 A 32 32 LEU HA H 32 3.867 4.041 -0.174 1
1 337 . 13 1 1 A 32 32 LEU CA C 32 57.406 58.497 -1.091 1
1 338 . 13 1 1 A 32 32 LEU CB C 32 40.912 41.807 -0.895 1
1 342 . 13 1 1 A 32 32 LEU N N 32 117.541 124.306 -6.765 1
1 343 . 13 1 1 A 33 33 ARG H H 33 7.914 8.060 -0.146 1
1 344 . 13 1 1 A 33 33 ARG HA H 33 4.070 4.071 -0.001 1
1 351 . 13 1 1 A 33 33 ARG CA C 33 58.815 59.247 -0.432 1
1 352 . 13 1 1 A 33 33 ARG CB C 33 29.393 30.017 -0.624 1
1 355 . 13 1 1 A 33 33 ARG N N 33 118.510 119.820 -1.310 1
1 356 . 13 1 1 A 34 34 TYR H H 34 8.211 7.955 0.256 1
1 357 . 13 1 1 A 34 34 TYR HA H 34 4.533 4.214 0.319 1
1 364 . 13 1 1 A 34 34 TYR CA C 34 59.593 60.557 -0.964 1
1 365 . 13 1 1 A 34 34 TYR CB C 34 37.021 39.068 -2.047 1
1 368 . 13 1 1 A 34 34 TYR N N 34 116.416 122.385 -5.969 1
1 369 . 13 1 1 A 35 35 LEU H H 35 7.904 8.234 -0.330 1
1 370 . 13 1 1 A 35 35 LEU HA H 35 3.670 4.000 -0.330 1
1 380 . 13 1 1 A 35 35 LEU CA C 35 57.967 57.973 -0.006 1
1 381 . 13 1 1 A 35 35 LEU CB C 35 40.740 41.661 -0.921 1
1 385 . 13 1 1 A 35 35 LEU N N 35 118.885 120.823 -1.938 1
1 386 . 13 1 1 A 36 36 GLU H H 36 8.662 8.332 0.330 1
1 387 . 13 1 1 A 36 36 GLU HA H 36 3.993 4.108 -0.115 1
1 392 . 13 1 1 A 36 36 GLU CA C 36 59.749 59.343 0.406 1
1 393 . 13 1 1 A 36 36 GLU CB C 36 29.887 29.111 0.776 1
1 395 . 13 1 1 A 36 36 GLU N N 36 120.936 119.350 1.586 1
1 396 . 13 1 1 A 37 37 LEU H H 37 8.195 7.643 0.552 1
1 397 . 13 1 1 A 37 37 LEU HA H 37 3.979 3.982 -0.003 1
1 407 . 13 1 1 A 37 37 LEU CA C 37 56.947 57.559 -0.612 1
1 408 . 13 1 1 A 37 37 LEU CB C 37 42.936 41.690 1.246 1
1 412 . 13 1 1 A 37 37 LEU N N 37 116.413 121.943 -5.530 1
1 413 . 13 1 1 A 38 38 TYR H H 38 7.663 7.362 0.301 1
1 414 . 13 1 1 A 38 38 TYR HA H 38 4.951 4.536 0.415 1
1 421 . 13 1 1 A 38 38 TYR CA C 38 58.581 57.615 0.966 1
1 422 . 13 1 1 A 38 38 TYR CB C 38 41.068 38.647 2.421 1
1 425 . 13 1 1 A 38 38 TYR N N 38 110.509 114.922 -4.413 1
1 426 . 13 1 1 A 39 39 ILE H H 39 7.833 7.497 0.336 1
1 427 . 13 1 1 A 39 39 ILE HA H 39 4.642 4.274 0.368 1
1 437 . 13 1 1 A 39 39 ILE CA C 39 60.000 59.861 0.139 1
1 438 . 13 1 1 A 39 39 ILE CB C 39 37.111 39.966 -2.855 1
1 442 . 13 1 1 A 39 39 ILE N N 39 116.068 120.232 -4.164 1
1 443 . 13 1 1 A 40 40 PHE H H 40 9.117 8.406 0.711 1
1 444 . 13 1 1 A 40 40 PHE HA H 40 4.634 4.033 0.601 1
1 452 . 13 1 1 A 40 40 PHE CA C 40 57.492 58.808 -1.316 1
1 453 . 13 1 1 A 40 40 PHE CB C 40 34.374 36.289 -1.915 1
1 457 . 13 1 1 A 40 40 PHE N N 40 121.241 124.730 -3.489 1
1 458 . 13 1 1 A 41 41 PRO HA H 41 4.388 4.340 0.048 1
1 465 . 13 1 1 A 41 41 PRO CA C 41 66.132 66.306 -0.174 1
1 466 . 13 1 1 A 41 41 PRO CB C 41 31.261 31.283 -0.022 1
1 469 . 13 1 1 A 42 42 HIS H H 42 7.153 7.810 -0.657 1
1 470 . 13 1 1 A 42 42 HIS HA H 42 4.678 4.602 0.076 1
1 474 . 13 1 1 A 42 42 HIS CA C 42 57.336 57.339 -0.003 1
1 475 . 13 1 1 A 42 42 HIS CB C 42 32.895 30.695 2.200 1
1 477 . 13 1 1 A 42 42 HIS N N 42 111.205 116.014 -4.809 1
1 478 . 13 1 1 A 43 43 ILE H H 43 7.327 7.661 -0.334 1
1 479 . 13 1 1 A 43 43 ILE HA H 43 4.938 4.415 0.523 1
1 489 . 13 1 1 A 43 43 ILE CA C 43 60.527 60.267 0.260 1
1 490 . 13 1 1 A 43 43 ILE CB C 43 40.445 38.105 2.340 1
1 494 . 13 1 1 A 43 43 ILE N N 43 105.996 113.770 -7.774 1
1 495 . 13 1 1 A 44 44 GLY H H 44 8.958 8.374 0.584 1
1 496 . 13 1 1 A 44 44 GLY HA2 H 44 4.340 3.750 0.590 1
1 497 . 13 1 1 A 44 44 GLY HA3 H 44 3.855 3.849 0.006 1
1 498 . 13 1 1 A 44 44 GLY CA C 44 48.385 46.730 1.655 1
1 499 . 13 1 1 A 44 44 GLY N N 44 110.704 113.025 -2.321 1
1 500 . 13 1 1 A 45 45 SER H H 45 8.294 7.719 0.575 1
1 501 . 13 1 1 A 45 45 SER HA H 45 4.517 4.537 -0.020 1
1 504 . 13 1 1 A 45 45 SER CA C 45 58.270 58.144 0.126 1
1 505 . 13 1 1 A 45 45 SER CB C 45 63.563 63.708 -0.145 1
1 506 . 13 1 1 A 45 45 SER N N 45 110.505 114.277 -3.772 1
1 507 . 13 1 1 A 46 46 SER H H 46 7.689 7.258 0.431 1
1 508 . 13 1 1 A 46 46 SER HA H 46 4.322 4.442 -0.120 1
1 511 . 13 1 1 A 46 46 SER CA C 46 59.282 58.503 0.779 1
1 512 . 13 1 1 A 46 46 SER CB C 46 63.719 64.331 -0.612 1
1 513 . 13 1 1 A 46 46 SER N N 46 119.190 118.373 0.817 1
1 514 . 13 1 1 A 47 47 ASP H H 47 8.646 8.118 0.528 1
1 515 . 13 1 1 A 47 47 ASP HA H 47 4.446 4.964 -0.518 1
1 518 . 13 1 1 A 47 47 ASP CA C 47 54.145 52.598 1.547 1
1 519 . 13 1 1 A 47 47 ASP CB C 47 41.652 43.241 -1.589 1
1 520 . 13 1 1 A 47 47 ASP N N 47 124.868 122.768 2.100 1
1 521 . 13 1 1 A 48 48 ILE H H 48 9.406 8.796 0.610 1
1 522 . 13 1 1 A 48 48 ILE HA H 48 4.091 4.089 0.002 1
1 532 . 13 1 1 A 48 48 ILE CA C 48 63.844 63.100 0.744 1
1 533 . 13 1 1 A 48 48 ILE CB C 48 39.845 37.703 2.142 1
1 537 . 13 1 1 A 48 48 ILE N N 48 129.573 125.523 4.050 1
1 538 . 13 1 1 A 49 49 ARG H H 49 9.004 8.352 0.652 1
1 539 . 13 1 1 A 49 49 ARG HA H 49 4.166 4.306 -0.140 1
1 546 . 13 1 1 A 49 49 ARG CA C 49 57.534 58.062 -0.528 1
1 547 . 13 1 1 A 49 49 ARG CB C 49 29.870 30.759 -0.889 1
1 548 . 13 1 1 A 49 49 ARG N N 49 119.541 121.986 -2.445 1
1 549 . 13 1 1 A 50 50 GLN H H 50 7.868 7.985 -0.117 1
1 550 . 13 1 1 A 50 50 GLN HA H 50 4.498 4.662 -0.164 1
1 557 . 13 1 1 A 50 50 GLN CA C 50 54.633 54.770 -0.137 1
1 558 . 13 1 1 A 50 50 GLN CB C 50 29.548 29.570 -0.022 1
1 560 . 13 1 1 A 50 50 GLN N N 50 114.374 118.645 -4.271 1
1 562 . 13 1 1 A 51 51 LEU H H 51 6.799 8.812 -2.013 1
1 563 . 13 1 1 A 51 51 LEU HA H 51 4.516 4.725 -0.209 1
1 573 . 13 1 1 A 51 51 LEU CA C 51 54.519 53.983 0.536 1
1 574 . 13 1 1 A 51 51 LEU CB C 51 43.014 44.365 -1.351 1
1 578 . 13 1 1 A 51 51 LEU N N 51 119.548 126.826 -7.278 1
1 579 . 13 1 1 A 52 52 LYS H H 52 10.373 8.384 1.989 1
1 580 . 13 1 1 A 52 52 LYS HA H 52 4.725 4.403 0.322 1
1 589 . 13 1 1 A 52 52 LYS CA C 52 53.806 56.509 -2.703 1
1 590 . 13 1 1 A 52 52 LYS CB C 52 34.394 32.465 1.929 1
1 594 . 13 1 1 A 52 52 LYS N N 52 125.943 123.991 1.952 1
1 595 . 13 1 1 A 53 53 THR H H 53 8.724 8.557 0.167 1
1 596 . 13 1 1 A 53 53 THR HA H 53 4.727 4.719 0.008 1
1 601 . 13 1 1 A 53 53 THR CA C 53 57.570 60.797 -3.227 1
1 602 . 13 1 1 A 53 53 THR CB C 53 68.467 70.404 -1.937 1
1 604 . 13 1 1 A 53 53 THR N N 53 117.533 114.166 3.367 1
1 605 . 13 1 1 A 54 54 SER H H 54 8.416 9.002 -0.586 1
1 606 . 13 1 1 A 54 54 SER HA H 54 4.743 4.388 0.355 1
1 609 . 13 1 1 A 54 54 SER CA C 54 61.306 59.672 1.634 1
1 610 . 13 1 1 A 54 54 SER CB C 54 61.132 62.852 -1.720 1
1 611 . 13 1 1 A 54 54 SER N N 54 112.941 116.043 -3.102 1
1 612 . 13 1 1 A 55 55 HIS H H 55 7.077 8.090 -1.013 1
1 613 . 13 1 1 A 55 55 HIS HA H 55 4.425 4.331 0.094 1
1 617 . 13 1 1 A 55 55 HIS CA C 55 58.659 59.497 -0.838 1
1 618 . 13 1 1 A 55 55 HIS CB C 55 33.051 29.792 3.259 1
1 620 . 13 1 1 A 55 55 HIS N N 55 120.680 118.772 1.908 1
1 621 . 13 1 1 A 56 56 LEU H H 56 7.410 7.929 -0.519 1
1 622 . 13 1 1 A 56 56 LEU HA H 56 3.916 3.974 -0.058 1
1 632 . 13 1 1 A 56 56 LEU CA C 56 56.558 57.583 -1.025 1
1 633 . 13 1 1 A 56 56 LEU CB C 56 42.547 41.565 0.982 1
1 637 . 13 1 1 A 56 56 LEU N N 56 115.029 116.427 -1.398 1
1 638 . 13 1 1 A 57 57 LEU H H 57 7.906 7.620 0.286 1
1 639 . 13 1 1 A 57 57 LEU HA H 57 4.073 4.103 -0.030 1
1 649 . 13 1 1 A 57 57 LEU CA C 57 56.047 57.340 -1.293 1
1 650 . 13 1 1 A 57 57 LEU CB C 57 42.575 41.072 1.503 1
1 654 . 13 1 1 A 57 57 LEU N N 57 113.214 121.964 -8.750 1
1 655 . 13 1 1 A 58 58 ALA H H 58 7.367 8.060 -0.693 1
1 656 . 13 1 1 A 58 58 ALA HA H 58 4.176 4.072 0.104 1
1 660 . 13 1 1 A 58 58 ALA CA C 58 57.049 57.019 0.030 1
1 661 . 13 1 1 A 58 58 ALA CB C 58 15.362 17.575 -2.213 1
1 662 . 13 1 1 A 58 58 ALA N N 58 120.662 121.537 -0.875 1
1 663 . 13 1 1 A 59 59 PRO HA H 59 4.133 4.359 -0.226 1
1 670 . 13 1 1 A 59 59 PRO CA C 59 65.120 65.259 -0.139 1
1 671 . 13 1 1 A 59 59 PRO CB C 59 31.183 31.102 0.081 1
1 674 . 13 1 1 A 60 60 ILE H H 60 6.643 7.031 -0.388 1
1 675 . 13 1 1 A 60 60 ILE HA H 60 3.383 3.896 -0.513 1
1 685 . 13 1 1 A 60 60 ILE CA C 60 64.886 63.717 1.169 1
1 686 . 13 1 1 A 60 60 ILE CB C 60 37.799 36.973 0.826 1
1 690 . 13 1 1 A 60 60 ILE N N 60 117.809 116.961 0.848 1
1 691 . 13 1 1 A 61 61 LYS H H 61 8.635 7.988 0.647 1
1 692 . 13 1 1 A 61 61 LYS HA H 61 3.992 3.886 0.106 1
1 701 . 13 1 1 A 61 61 LYS CA C 61 59.048 59.260 -0.212 1
1 702 . 13 1 1 A 61 61 LYS CB C 61 31.678 32.157 -0.479 1
1 706 . 13 1 1 A 61 61 LYS N N 61 120.585 122.893 -2.308 1
1 707 . 13 1 1 A 62 62 GLU H H 62 7.664 7.739 -0.075 1
1 708 . 13 1 1 A 62 62 GLU HA H 62 3.992 4.079 -0.087 1
1 713 . 13 1 1 A 62 62 GLU CA C 62 59.593 59.247 0.346 1
1 714 . 13 1 1 A 62 62 GLU CB C 62 28.975 28.999 -0.024 1
1 716 . 13 1 1 A 62 62 GLU N N 62 118.505 117.639 0.866 1
1 717 . 13 1 1 A 63 63 VAL H H 63 7.227 7.378 -0.151 1
1 718 . 13 1 1 A 63 63 VAL HA H 63 3.545 3.922 -0.377 1
1 726 . 13 1 1 A 63 63 VAL CA C 63 65.663 65.296 0.367 1
1 727 . 13 1 1 A 63 63 VAL CB C 63 31.650 31.745 -0.095 1
1 730 . 13 1 1 A 63 63 VAL N N 63 119.540 117.108 2.432 1
1 731 . 13 1 1 A 64 64 ASP H H 64 8.281 8.441 -0.160 1
1 732 . 13 1 1 A 64 64 ASP HA H 64 3.984 4.167 -0.183 1
1 735 . 13 1 1 A 64 64 ASP CA C 64 58.860 57.249 1.611 1
1 736 . 13 1 1 A 64 64 ASP CB C 64 42.561 41.609 0.952 1
1 737 . 13 1 1 A 64 64 ASP N N 64 122.316 121.023 1.293 1
1 738 . 13 1 1 A 65 65 THR H H 65 8.818 8.267 0.551 1
1 739 . 13 1 1 A 65 65 THR HA H 65 4.310 4.064 0.246 1
1 744 . 13 1 1 A 65 65 THR CA C 65 68.825 64.778 4.047 1
1 745 . 13 1 1 A 65 65 THR CB C 65 65.195 68.156 -2.961 1
1 747 . 13 1 1 A 65 65 THR N N 65 112.808 115.372 -2.564 1
1 748 . 13 1 1 A 66 66 SER H H 66 7.596 7.396 0.200 1
1 749 . 13 1 1 A 66 66 SER HA H 66 4.469 4.473 -0.004 1
1 752 . 13 1 1 A 66 66 SER CA C 66 59.827 58.393 1.434 1
1 753 . 13 1 1 A 66 66 SER CB C 66 63.641 63.542 0.099 1
1 754 . 13 1 1 A 66 66 SER N N 66 116.412 114.141 2.271 1
1 755 . 13 1 1 A 67 67 GLY H H 67 7.781 7.562 0.219 1
1 756 . 13 1 1 A 67 67 GLY HA2 H 67 4.467 4.022 0.445 1
1 757 . 13 1 1 A 67 67 GLY HA3 H 67 3.355 4.030 -0.675 1
1 758 . 13 1 1 A 67 67 GLY CA C 67 44.337 44.968 -0.631 1
1 759 . 13 1 1 A 67 67 GLY N N 67 108.565 108.628 -0.063 1
1 760 . 13 1 1 A 68 68 LYS H H 68 6.932 7.449 -0.517 1
1 761 . 13 1 1 A 68 68 LYS HA H 68 4.706 4.662 0.044 1
1 770 . 13 1 1 A 68 68 LYS CA C 68 54.145 54.951 -0.806 1
1 771 . 13 1 1 A 68 68 LYS CB C 68 30.325 32.175 -1.850 1
1 775 . 13 1 1 A 68 68 LYS N N 68 121.979 116.000 5.979 1
1 776 . 13 1 1 A 69 69 HIS H H 69 7.630 7.924 -0.294 1
1 777 . 13 1 1 A 69 69 HIS HA H 69 4.544 4.103 0.441 1
1 780 . 13 1 1 A 69 69 HIS CA C 69 58.270 59.959 -1.689 1
1 781 . 13 1 1 A 69 69 HIS CB C 69 28.303 29.871 -1.568 1
1 782 . 13 1 1 A 69 69 HIS N N 69 119.617 121.393 -1.776 1
1 783 . 13 1 1 A 70 70 ASP H H 70 8.779 8.241 0.538 1
1 784 . 13 1 1 A 70 70 ASP HA H 70 4.330 4.215 0.115 1
1 787 . 13 1 1 A 70 70 ASP CA C 70 56.869 57.627 -0.758 1
1 788 . 13 1 1 A 70 70 ASP CB C 70 39.433 40.190 -0.757 1
1 789 . 13 1 1 A 70 70 ASP N N 70 118.586 118.520 0.066 1
1 790 . 13 1 1 A 71 71 VAL H H 71 7.575 8.160 -0.585 1
1 791 . 13 1 1 A 71 71 VAL HA H 71 3.232 3.609 -0.377 1
1 799 . 13 1 1 A 71 71 VAL CA C 71 66.131 66.490 -0.359 1
1 800 . 13 1 1 A 71 71 VAL CB C 71 31.105 31.684 -0.579 1
1 803 . 13 1 1 A 71 71 VAL N N 71 121.186 120.152 1.034 1
1 804 . 13 1 1 A 72 72 ALA H H 72 8.022 8.311 -0.289 1
1 805 . 13 1 1 A 72 72 ALA HA H 72 3.682 3.929 -0.247 1
1 809 . 13 1 1 A 72 72 ALA CA C 72 55.702 55.886 -0.184 1
1 810 . 13 1 1 A 72 72 ALA CB C 72 18.028 18.363 -0.335 1
1 811 . 13 1 1 A 72 72 ALA N N 72 120.675 122.417 -1.742 1
1 812 . 13 1 1 A 73 73 GLN H H 73 7.793 8.410 -0.617 1
1 813 . 13 1 1 A 73 73 GLN HA H 73 3.971 3.968 0.003 1
1 820 . 13 1 1 A 73 73 GLN CA C 73 58.872 59.106 -0.234 1
1 821 . 13 1 1 A 73 73 GLN CB C 73 28.073 28.541 -0.468 1
1 823 . 13 1 1 A 73 73 GLN N N 73 115.949 117.373 -1.424 1
1 825 . 13 1 1 A 74 74 ARG H H 74 7.795 7.834 -0.039 1
1 826 . 13 1 1 A 74 74 ARG HA H 74 4.108 4.125 -0.017 1
1 833 . 13 1 1 A 74 74 ARG CA C 74 59.282 58.929 0.353 1
1 834 . 13 1 1 A 74 74 ARG CB C 74 29.857 29.771 0.086 1
1 837 . 13 1 1 A 74 74 ARG N N 74 119.896 120.086 -0.190 1
1 838 . 13 1 1 A 75 75 LEU H H 75 8.850 8.594 0.256 1
1 839 . 13 1 1 A 75 75 LEU HA H 75 3.935 3.984 -0.049 1
1 849 . 13 1 1 A 75 75 LEU CA C 75 57.803 58.076 -0.273 1
1 850 . 13 1 1 A 75 75 LEU CB C 75 42.858 41.240 1.618 1
1 854 . 13 1 1 A 75 75 LEU N N 75 118.044 119.923 -1.879 1
1 855 . 13 1 1 A 76 76 GLN H H 76 8.412 8.280 0.132 1
1 856 . 13 1 1 A 76 76 GLN HA H 76 3.790 3.935 -0.145 1
1 861 . 13 1 1 A 76 76 GLN CA C 76 60.294 59.160 1.134 1
1 862 . 13 1 1 A 76 76 GLN CB C 76 27.995 28.305 -0.310 1
1 864 . 13 1 1 A 76 76 GLN N N 76 119.109 118.776 0.333 1
1 865 . 13 1 1 A 77 77 GLN H H 77 7.788 7.755 0.033 1
1 866 . 13 1 1 A 77 77 GLN HA H 77 4.090 4.107 -0.017 1
1 873 . 13 1 1 A 77 77 GLN CA C 77 59.318 58.182 1.136 1
1 874 . 13 1 1 A 77 77 GLN CB C 77 28.054 28.573 -0.519 1
1 876 . 13 1 1 A 77 77 GLN N N 77 119.616 119.015 0.601 1
1 878 . 13 1 1 A 78 78 ARG H H 78 8.552 7.564 0.988 1
1 879 . 13 1 1 A 78 78 ARG HA H 78 4.171 4.186 -0.015 1
1 886 . 13 1 1 A 78 78 ARG CA C 78 57.946 59.539 -1.593 1
1 887 . 13 1 1 A 78 78 ARG CB C 78 28.958 30.637 -1.679 1
1 890 . 13 1 1 A 78 78 ARG N N 78 118.044 120.520 -2.476 1
1 891 . 13 1 1 A 79 79 VAL H H 79 8.958 7.641 1.317 1
1 892 . 13 1 1 A 79 79 VAL HA H 79 3.603 4.094 -0.491 1
1 900 . 13 1 1 A 79 79 VAL CA C 79 67.284 65.698 1.586 1
1 901 . 13 1 1 A 79 79 VAL CB C 79 31.228 31.647 -0.419 1
1 904 . 13 1 1 A 79 79 VAL N N 79 116.998 116.247 0.751 1
1 905 . 13 1 1 A 80 80 THR H H 80 7.938 8.004 -0.066 1
1 906 . 13 1 1 A 80 80 THR HA H 80 4.301 3.928 0.373 1
1 911 . 13 1 1 A 80 80 THR CA C 80 67.976 67.880 0.096 1
1 912 . 13 1 1 A 80 80 THR CB C 80 67.466 68.594 -1.128 1
1 914 . 13 1 1 A 80 80 THR N N 80 115.701 117.169 -1.468 1
1 915 . 13 1 1 A 81 81 ALA H H 81 7.656 7.358 0.298 1
1 916 . 13 1 1 A 81 81 ALA HA H 81 4.070 4.055 0.015 1
1 920 . 13 1 1 A 81 81 ALA CA C 81 55.232 55.140 0.092 1
1 921 . 13 1 1 A 81 81 ALA CB C 81 18.087 17.877 0.210 1
1 922 . 13 1 1 A 81 81 ALA N N 81 124.407 123.439 0.968 1
1 923 . 13 1 1 A 82 82 ILE H H 82 7.901 7.931 -0.030 1
1 924 . 13 1 1 A 82 82 ILE HA H 82 2.733 4.010 -1.277 1
1 934 . 13 1 1 A 82 82 ILE CA C 82 65.450 65.355 0.095 1
1 935 . 13 1 1 A 82 82 ILE CB C 82 37.569 38.143 -0.574 1
1 939 . 13 1 1 A 82 82 ILE N N 82 121.196 119.687 1.509 1
1 940 . 13 1 1 A 83 83 MET H H 83 8.258 8.686 -0.428 1
1 941 . 13 1 1 A 83 83 MET HA H 83 4.556 4.260 0.296 1
1 949 . 13 1 1 A 83 83 MET CA C 83 56.403 58.787 -2.384 1
1 950 . 13 1 1 A 83 83 MET CB C 83 29.782 31.586 -1.804 1
1 953 . 13 1 1 A 83 83 MET N N 83 120.154 120.617 -0.463 1
1 954 . 13 1 1 A 84 84 ARG H H 84 7.915 8.216 -0.301 1
1 955 . 13 1 1 A 84 84 ARG HA H 84 4.039 4.087 -0.048 1
1 962 . 13 1 1 A 84 84 ARG CA C 84 59.749 58.822 0.927 1
1 963 . 13 1 1 A 84 84 ARG CB C 84 30.000 29.794 0.206 1
1 966 . 13 1 1 A 84 84 ARG N N 84 116.534 120.015 -3.481 1
1 967 . 13 1 1 A 85 85 TYR H H 85 8.221 8.102 0.119 1
1 968 . 13 1 1 A 85 85 TYR HA H 85 4.255 4.200 0.055 1
1 975 . 13 1 1 A 85 85 TYR CA C 85 61.382 61.678 -0.296 1
1 976 . 13 1 1 A 85 85 TYR CB C 85 38.499 38.279 0.220 1
1 979 . 13 1 1 A 85 85 TYR N N 85 122.313 120.845 1.468 1
1 980 . 13 1 1 A 86 86 ALA H H 86 8.804 8.032 0.772 1
1 981 . 13 1 1 A 86 86 ALA HA H 86 4.223 4.300 -0.077 1
1 985 . 13 1 1 A 86 86 ALA CA C 86 55.043 54.624 0.419 1
1 986 . 13 1 1 A 86 86 ALA CB C 86 18.087 18.793 -0.706 1
1 987 . 13 1 1 A 86 86 ALA N N 86 123.291 121.842 1.449 1
1 988 . 13 1 1 A 87 87 VAL H H 87 8.113 7.409 0.704 1
1 989 . 13 1 1 A 87 87 VAL HA H 87 4.170 3.504 0.666 1
1 997 . 13 1 1 A 87 87 VAL CA C 87 65.146 66.835 -1.689 1
1 998 . 13 1 1 A 87 87 VAL CB C 87 31.897 31.447 0.450 1
1 1001 . 13 1 1 A 87 87 VAL N N 87 120.144 119.741 0.403 1
1 1002 . 13 1 1 A 88 88 GLN H H 88 8.458 7.573 0.885 1
1 1003 . 13 1 1 A 88 88 GLN HA H 88 3.983 3.986 -0.003 1
1 1010 . 13 1 1 A 88 88 GLN CA C 88 58.270 58.477 -0.207 1
1 1011 . 13 1 1 A 88 88 GLN CB C 88 28.075 28.106 -0.031 1
1 1013 . 13 1 1 A 88 88 GLN N N 88 120.751 119.376 1.375 1
1 1015 . 13 1 1 A 89 89 ASN H H 89 7.359 7.866 -0.507 1
1 1016 . 13 1 1 A 89 89 ASN HA H 89 4.486 4.760 -0.274 1
1 1021 . 13 1 1 A 89 89 ASN CA C 89 53.444 52.829 0.615 1
1 1022 . 13 1 1 A 89 89 ASN CB C 89 38.932 38.652 0.280 1
1 1023 . 13 1 1 A 89 89 ASN N N 89 113.850 115.152 -1.302 1
1 1025 . 13 1 1 A 90 90 ASP H H 90 7.849 7.854 -0.005 1
1 1026 . 13 1 1 A 90 90 ASP HA H 90 4.387 4.322 0.065 1
1 1029 . 13 1 1 A 90 90 ASP CA C 90 55.935 55.407 0.528 1
1 1030 . 13 1 1 A 90 90 ASP CB C 90 38.811 40.530 -1.719 1
1 1031 . 13 1 1 A 90 90 ASP N N 90 113.293 117.712 -4.419 1
1 1032 . 13 1 1 A 91 91 TYR H H 91 8.489 7.507 0.982 1
1 1033 . 13 1 1 A 91 91 TYR HA H 91 4.589 4.365 0.224 1
1 1040 . 13 1 1 A 91 91 TYR CA C 91 60.000 60.596 -0.596 1
1 1041 . 13 1 1 A 91 91 TYR CB C 91 38.811 38.638 0.173 1
1 1044 . 13 1 1 A 91 91 TYR N N 91 116.072 118.047 -1.975 1
1 1045 . 13 1 1 A 92 92 ILE H H 92 7.131 7.781 -0.650 1
1 1046 . 13 1 1 A 92 92 ILE HA H 92 4.684 4.662 0.022 1
1 1056 . 13 1 1 A 92 92 ILE CA C 92 59.126 59.285 -0.159 1
1 1057 . 13 1 1 A 92 92 ILE CB C 92 41.846 40.776 1.070 1
1 1061 . 13 1 1 A 92 92 ILE N N 92 107.409 116.640 -9.231 1
1 1062 . 13 1 1 A 93 93 ASP H H 93 8.731 9.212 -0.481 1
1 1063 . 13 1 1 A 93 93 ASP HA H 93 4.707 4.803 -0.096 1
1 1066 . 13 1 1 A 93 93 ASP CA C 93 54.689 55.269 -0.580 1
1 1067 . 13 1 1 A 93 93 ASP CB C 93 41.924 43.183 -1.259 1
1 1068 . 13 1 1 A 93 93 ASP N N 93 118.847 122.280 -3.433 1
1 1069 . 13 1 1 A 94 94 SER H H 94 7.638 7.953 -0.315 1
1 1070 . 13 1 1 A 94 94 SER HA H 94 4.491 4.885 -0.394 1
1 1073 . 13 1 1 A 94 94 SER CA C 94 57.102 56.577 0.525 1
1 1074 . 13 1 1 A 94 94 SER CB C 94 64.186 65.724 -1.538 1
1 1075 . 13 1 1 A 94 94 SER N N 94 112.240 112.663 -0.423 1
1 1076 . 13 1 1 A 95 95 ASN H H 95 8.801 8.854 -0.053 1
1 1077 . 13 1 1 A 95 95 ASN HA H 95 4.942 5.554 -0.612 1
1 1082 . 13 1 1 A 95 95 ASN CA C 95 49.941 50.406 -0.465 1
1 1083 . 13 1 1 A 95 95 ASN CB C 95 39.356 39.544 -0.188 1
1 1084 . 13 1 1 A 95 95 ASN N N 95 119.551 123.718 -4.167 1
1 1086 . 13 1 1 A 96 96 PRO HA H 96 4.632 4.450 0.182 1
1 1093 . 13 1 1 A 96 96 PRO CA C 96 63.564 64.260 -0.696 1
1 1094 . 13 1 1 A 96 96 PRO CB C 96 32.058 31.901 0.157 1
1 1097 . 13 1 1 A 97 97 ALA H H 97 8.335 7.851 0.484 1
1 1098 . 13 1 1 A 97 97 ALA HA H 97 4.436 4.327 0.109 1
1 1102 . 13 1 1 A 97 97 ALA CA C 97 52.055 53.503 -1.448 1
1 1103 . 13 1 1 A 97 97 ALA CB C 97 18.998 18.231 0.767 1
1 1104 . 13 1 1 A 97 97 ALA N N 97 121.226 120.414 0.812 1
1 1105 . 13 1 1 A 98 98 SER H H 98 7.600 7.556 0.044 1
1 1106 . 13 1 1 A 98 98 SER HA H 98 4.168 4.525 -0.357 1
1 1109 . 13 1 1 A 98 98 SER CA C 98 60.372 59.682 0.690 1
1 1110 . 13 1 1 A 98 98 SER CB C 98 63.018 63.837 -0.819 1
1 1111 . 13 1 1 A 98 98 SER N N 98 114.935 113.063 1.872 1
1 1112 . 13 1 1 A 99 99 ASP H H 99 8.098 7.711 0.387 1
1 1113 . 13 1 1 A 99 99 ASP HA H 99 4.760 4.925 -0.165 1
1 1116 . 13 1 1 A 99 99 ASP CA C 99 54.300 55.467 -1.167 1
1 1117 . 13 1 1 A 99 99 ASP CB C 99 40.835 42.331 -1.496 1
1 1118 . 13 1 1 A 99 99 ASP N N 99 119.889 121.269 -1.380 1
1 1119 . 13 1 1 A 100 100 MET H H 100 7.885 8.114 -0.229 1
1 1120 . 13 1 1 A 100 100 MET HA H 100 4.205 4.281 -0.076 1
1 1128 . 13 1 1 A 100 100 MET CA C 100 57.025 57.940 -0.915 1
1 1129 . 13 1 1 A 100 100 MET CB C 100 33.038 32.441 0.597 1
1 1132 . 13 1 1 A 100 100 MET N N 100 119.185 115.934 3.251 1
1 1133 . 13 1 1 A 101 101 ALA H H 101 8.041 7.535 0.506 1
1 1134 . 13 1 1 A 101 101 ALA HA H 101 4.137 4.359 -0.222 1
1 1138 . 13 1 1 A 101 101 ALA CA C 101 53.655 51.479 2.176 1
1 1139 . 13 1 1 A 101 101 ALA CB C 101 18.537 20.249 -1.712 1
1 1140 . 13 1 1 A 101 101 ALA N N 101 122.264 122.618 -0.354 1
1 1141 . 13 1 1 A 102 102 GLY H H 102 8.293 8.681 -0.388 1
1 1142 . 13 1 1 A 102 102 GLY HA2 H 102 3.910 4.403 -0.493 1
1 1143 . 13 1 1 A 102 102 GLY HA3 H 102 3.913 4.403 -0.490 1
1 1144 . 13 1 1 A 102 102 GLY CA C 102 45.664 45.166 0.498 1
1 1145 . 13 1 1 A 102 102 GLY N N 102 107.557 109.851 -2.294 1
1 1146 . 13 1 1 A 103 103 ALA H H 103 7.955 8.639 -0.684 1
1 1147 . 13 1 1 A 103 103 ALA HA H 103 4.235 4.803 -0.568 1
1 1151 . 13 1 1 A 103 103 ALA CA C 103 53.423 51.009 2.414 1
1 1152 . 13 1 1 A 103 103 ALA CB C 103 19.219 20.517 -1.298 1
1 1153 . 13 1 1 A 103 103 ALA N N 103 123.285 122.091 1.194 1
1 1154 . 13 1 1 A 104 104 LEU H H 104 8.145 8.367 -0.222 1
1 1155 . 13 1 1 A 104 104 LEU HA H 104 4.301 4.527 -0.226 1
1 1165 . 13 1 1 A 104 104 LEU CA C 104 55.312 55.377 -0.065 1
1 1166 . 13 1 1 A 104 104 LEU CB C 104 41.644 43.152 -1.508 1
1 1170 . 13 1 1 A 104 104 LEU N N 104 118.570 120.032 -1.462 1
1 1171 . 13 1 1 A 105 105 SER H H 105 8.040 8.103 -0.063 1
1 1172 . 13 1 1 A 105 105 SER HA H 105 4.390 4.311 0.079 1
1 1175 . 13 1 1 A 105 105 SER CA C 105 58.893 61.699 -2.806 1
1 1176 . 13 1 1 A 105 105 SER CB C 105 63.424 63.793 -0.369 1
1 1177 . 13 1 1 A 105 105 SER N N 105 115.022 113.648 1.374 1
1 1178 . 13 1 1 A 106 106 THR H H 106 8.032 7.472 0.560 1
1 1179 . 13 1 1 A 106 106 THR HA H 106 4.293 4.444 -0.151 1
1 1184 . 13 1 1 A 106 106 THR CA C 106 62.037 63.125 -1.088 1
1 1185 . 13 1 1 A 106 106 THR CB C 106 69.401 67.886 1.515 1
1 1187 . 13 1 1 A 106 106 THR N N 106 115.371 111.962 3.409 1
1 1188 . 13 1 1 A 107 107 THR H H 107 7.940 8.522 -0.582 1
1 1189 . 13 1 1 A 107 107 THR HA H 107 4.296 5.087 -0.791 1
1 1194 . 13 1 1 A 107 107 THR CA C 107 61.539 60.569 0.970 1
1 1195 . 13 1 1 A 107 107 THR CB C 107 61.610 71.158 -9.548 1
1 1197 . 13 1 1 A 107 107 THR N N 107 122.759 117.338 5.421 1
1 1198 . 13 1 1 A 108 108 LYS H H 108 8.240 9.033 -0.793 1
1 1199 . 13 1 1 A 108 108 LYS HA H 108 4.241 4.830 -0.589 1
1 1208 . 13 1 1 A 108 108 LYS CA C 108 56.324 55.242 1.082 1
1 1209 . 13 1 1 A 108 108 LYS CB C 108 32.817 33.617 -0.800 1
1 1213 . 13 1 1 A 108 108 LYS N N 108 124.773 126.131 -1.358 1
1 1214 . 13 1 1 A 109 109 ALA H H 109 8.131 8.430 -0.299 1
1 1215 . 13 1 1 A 109 109 ALA HA H 109 4.224 4.484 -0.260 1
1 1219 . 13 1 1 A 109 109 ALA CA C 109 52.432 53.066 -0.634 1
1 1220 . 13 1 1 A 109 109 ALA CB C 109 19.017 21.401 -2.384 1
1 1221 . 13 1 1 A 109 109 ALA N N 109 124.331 127.441 -3.110 1
1 1222 . 13 1 1 A 110 110 ARG H H 110 8.114 7.770 0.344 1
1 1223 . 13 1 1 A 110 110 ARG HA H 110 4.191 4.557 -0.366 1
1 1230 . 13 1 1 A 110 110 ARG CA C 110 56.013 55.619 0.394 1
1 1231 . 13 1 1 A 110 110 ARG CB C 110 30.871 31.005 -0.134 1
1 1234 . 13 1 1 A 110 110 ARG N N 110 119.544 119.933 -0.389 1
1 1235 . 13 1 1 A 111 111 HIS H H 111 8.283 8.471 -0.188 1
1 1236 . 13 1 1 A 111 111 HIS HA H 111 4.604 4.864 -0.260 1
1 1240 . 13 1 1 A 111 111 HIS CA C 111 55.448 56.111 -0.663 1
1 1241 . 13 1 1 A 111 111 HIS CB C 111 29.866 32.162 -2.296 1
1 1243 . 13 1 1 A 111 111 HIS N N 111 119.886 125.020 -5.134 1
1 1244 . 13 1 1 A 112 112 TYR H H 112 8.179 8.832 -0.653 1
1 1245 . 13 1 1 A 112 112 TYR HA H 112 4.766 5.014 -0.248 1
1 1252 . 13 1 1 A 112 112 TYR CA C 112 55.701 55.296 0.405 1
1 1253 . 13 1 1 A 112 112 TYR CB C 112 38.110 40.365 -2.255 1
1 1256 . 13 1 1 A 112 112 TYR N N 112 122.673 128.883 -6.210 1
1 1257 . 13 1 1 A 113 113 PRO HA H 113 4.399 4.675 -0.276 1
1 1264 . 13 1 1 A 113 113 PRO CA C 113 63.097 62.181 0.916 1
1 1265 . 13 1 1 A 113 113 PRO CB C 113 31.684 33.159 -1.475 1
1 1268 . 13 1 1 A 114 114 LEU H H 114 8.225 8.599 -0.374 1
1 1269 . 13 1 1 A 114 114 LEU HA H 114 4.265 4.350 -0.085 1
1 1279 . 13 1 1 A 114 114 LEU CA C 114 55.069 56.229 -1.160 1
1 1280 . 13 1 1 A 114 114 LEU CB C 114 42.104 43.428 -1.324 1
1 1284 . 13 1 1 A 114 114 LEU N N 114 121.625 121.224 0.401 1
1 1285 . 13 1 1 A 115 115 GLU H H 115 8.273 8.256 0.017 1
1 1286 . 13 1 1 A 115 115 GLU HA H 115 4.202 4.084 0.118 1
1 1291 . 13 1 1 A 115 115 GLU CA C 115 56.402 57.395 -0.993 1
1 1292 . 13 1 1 A 115 115 GLU CB C 115 30.249 28.398 1.851 1
1 5 . 14 1 1 A 2 2 GLU HA H 2 4.399 4.528 -0.129 1
1 10 . 14 1 1 A 2 2 GLU CA C 2 56.358 56.568 -0.210 1
1 11 . 14 1 1 A 2 2 GLU CB C 2 30.249 30.061 0.188 1
1 13 . 14 1 1 A 3 3 ASN H H 3 8.699 8.511 0.188 1
1 14 . 14 1 1 A 3 3 ASN HA H 3 4.753 5.154 -0.401 1
1 19 . 14 1 1 A 3 3 ASN CA C 3 53.211 51.583 1.628 1
1 20 . 14 1 1 A 3 3 ASN CB C 3 38.733 41.684 -2.951 1
1 21 . 14 1 1 A 3 3 ASN N N 3 120.234 124.978 -4.744 1
1 23 . 14 1 1 A 4 4 SER H H 4 8.428 8.694 -0.266 1
1 24 . 14 1 1 A 4 4 SER HA H 4 4.395 4.277 0.118 1
1 27 . 14 1 1 A 4 4 SER CA C 4 59.048 61.629 -2.581 1
1 28 . 14 1 1 A 4 4 SER CB C 4 63.485 63.349 0.136 1
1 29 . 14 1 1 A 4 4 SER N N 4 116.413 116.651 -0.238 1
1 30 . 14 1 1 A 5 5 GLY H H 5 8.525 7.435 1.090 1
1 31 . 14 1 1 A 5 5 GLY HA2 H 5 3.970 3.943 0.027 1
1 32 . 14 1 1 A 5 5 GLY HA3 H 5 3.969 3.962 0.007 1
1 33 . 14 1 1 A 5 5 GLY CA C 5 45.717 45.539 0.178 1
1 34 . 14 1 1 A 5 5 GLY N N 5 111.196 104.782 6.414 1
1 35 . 14 1 1 A 6 6 ALA H H 6 7.941 8.279 -0.338 1
1 36 . 14 1 1 A 6 6 ALA HA H 6 4.206 4.267 -0.061 1
1 40 . 14 1 1 A 6 6 ALA CA C 6 52.988 52.814 0.174 1
1 41 . 14 1 1 A 6 6 ALA CB C 6 19.429 18.684 0.745 1
1 42 . 14 1 1 A 6 6 ALA N N 6 123.277 125.033 -1.756 1
1 43 . 14 1 1 A 7 7 TYR H H 7 8.351 8.820 -0.469 1
1 44 . 14 1 1 A 7 7 TYR HA H 7 4.509 3.738 0.771 1
1 51 . 14 1 1 A 7 7 TYR CA C 7 57.528 58.774 -1.246 1
1 52 . 14 1 1 A 7 7 TYR CB C 7 39.356 36.265 3.091 1
1 55 . 14 1 1 A 7 7 TYR N N 7 114.900 122.650 -7.750 1
1 56 . 14 1 1 A 8 8 THR H H 8 7.735 7.705 0.030 1
1 57 . 14 1 1 A 8 8 THR HA H 8 4.922 4.203 0.719 1
1 62 . 14 1 1 A 8 8 THR CA C 8 60.827 62.635 -1.808 1
1 63 . 14 1 1 A 8 8 THR CB C 8 70.109 68.739 1.370 1
1 65 . 14 1 1 A 8 8 THR N N 8 110.856 114.974 -4.118 1
1 66 . 14 1 1 A 9 9 PHE H H 9 8.816 9.127 -0.311 1
1 67 . 14 1 1 A 9 9 PHE HA H 9 3.825 3.977 -0.152 1
1 75 . 14 1 1 A 9 9 PHE CA C 9 62.935 62.600 0.335 1
1 76 . 14 1 1 A 9 9 PHE CB C 9 39.373 40.004 -0.631 1
1 80 . 14 1 1 A 9 9 PHE N N 9 121.282 126.838 -5.556 1
1 81 . 14 1 1 A 10 10 GLU H H 10 9.741 8.340 1.401 1
1 82 . 14 1 1 A 10 10 GLU HA H 10 3.295 4.003 -0.708 1
1 87 . 14 1 1 A 10 10 GLU CA C 10 59.586 59.213 0.373 1
1 88 . 14 1 1 A 10 10 GLU CB C 10 28.453 29.244 -0.791 1
1 90 . 14 1 1 A 10 10 GLU N N 10 117.454 117.974 -0.520 1
1 91 . 14 1 1 A 11 11 THR H H 11 7.542 7.919 -0.377 1
1 92 . 14 1 1 A 11 11 THR HA H 11 3.667 3.919 -0.252 1
1 97 . 14 1 1 A 11 11 THR CA C 11 66.550 66.391 0.159 1
1 98 . 14 1 1 A 11 11 THR CB C 11 66.557 68.129 -1.572 1
1 100 . 14 1 1 A 11 11 THR N N 11 115.970 118.143 -2.173 1
1 101 . 14 1 1 A 12 12 ILE H H 12 7.724 7.832 -0.108 1
1 102 . 14 1 1 A 12 12 ILE HA H 12 3.561 3.614 -0.053 1
1 112 . 14 1 1 A 12 12 ILE CA C 12 63.395 63.861 -0.466 1
1 113 . 14 1 1 A 12 12 ILE CB C 12 36.233 36.218 0.015 1
1 117 . 14 1 1 A 12 12 ILE N N 12 122.235 121.965 0.270 1
1 118 . 14 1 1 A 13 13 ALA H H 13 9.099 7.796 1.303 1
1 119 . 14 1 1 A 13 13 ALA HA H 13 3.975 3.435 0.540 1
1 123 . 14 1 1 A 13 13 ALA CA C 13 55.666 54.312 1.354 1
1 124 . 14 1 1 A 13 13 ALA CB C 13 20.126 17.957 2.169 1
1 125 . 14 1 1 A 13 13 ALA N N 13 122.259 123.628 -1.369 1
1 126 . 14 1 1 A 14 14 ARG H H 14 8.600 7.369 1.231 1
1 127 . 14 1 1 A 14 14 ARG HA H 14 4.097 3.689 0.408 1
1 134 . 14 1 1 A 14 14 ARG CA C 14 60.889 58.977 1.912 1
1 135 . 14 1 1 A 14 14 ARG CB C 14 29.000 29.799 -0.799 1
1 138 . 14 1 1 A 14 14 ARG N N 14 116.993 119.003 -2.010 1
1 139 . 14 1 1 A 15 15 GLU H H 15 7.924 7.641 0.283 1
1 140 . 14 1 1 A 15 15 GLU HA H 15 4.085 3.850 0.235 1
1 145 . 14 1 1 A 15 15 GLU CA C 15 59.312 59.178 0.134 1
1 146 . 14 1 1 A 15 15 GLU CB C 15 29.866 29.456 0.410 1
1 148 . 14 1 1 A 15 15 GLU N N 15 122.758 118.088 4.670 1
1 149 . 14 1 1 A 16 16 TRP H H 16 8.864 7.611 1.253 1
1 150 . 14 1 1 A 16 16 TRP HA H 16 4.740 4.445 0.295 1
1 158 . 14 1 1 A 16 16 TRP CA C 16 60.839 58.936 1.903 1
1 159 . 14 1 1 A 16 16 TRP CB C 16 26.693 28.246 -1.553 1
1 163 . 14 1 1 A 16 16 TRP N N 16 122.323 120.077 2.246 1
1 165 . 14 1 1 A 17 17 HIS H H 17 8.803 7.556 1.247 1
1 166 . 14 1 1 A 17 17 HIS HA H 17 3.076 4.068 -0.992 1
1 170 . 14 1 1 A 17 17 HIS CA C 17 60.683 59.716 0.967 1
1 171 . 14 1 1 A 17 17 HIS CB C 17 30.772 29.606 1.166 1
1 173 . 14 1 1 A 17 17 HIS N N 17 121.293 120.631 0.662 1
1 174 . 14 1 1 A 18 18 GLU H H 18 7.897 8.111 -0.214 1
1 175 . 14 1 1 A 18 18 GLU HA H 18 3.837 3.800 0.037 1
1 180 . 14 1 1 A 18 18 GLU CA C 18 57.506 58.622 -1.116 1
1 181 . 14 1 1 A 18 18 GLU CB C 18 29.421 28.945 0.476 1
1 183 . 14 1 1 A 18 18 GLU N N 18 118.162 117.882 0.280 1
1 184 . 14 1 1 A 19 19 SER H H 19 7.461 7.740 -0.279 1
1 185 . 14 1 1 A 19 19 SER HA H 19 4.150 4.427 -0.277 1
1 188 . 14 1 1 A 19 19 SER CA C 19 60.000 59.929 0.071 1
1 189 . 14 1 1 A 19 19 SER CB C 19 63.329 63.714 -0.385 1
1 190 . 14 1 1 A 19 19 SER N N 19 112.802 114.299 -1.497 1
1 191 . 14 1 1 A 20 20 ASN H H 20 6.638 7.892 -1.254 1
1 192 . 14 1 1 A 20 20 ASN HA H 20 4.226 5.141 -0.915 1
1 195 . 14 1 1 A 20 20 ASN CA C 20 53.211 51.935 1.276 1
1 196 . 14 1 1 A 20 20 ASN CB C 20 37.021 40.218 -3.197 1
1 197 . 14 1 1 A 20 20 ASN N N 20 121.098 119.373 1.725 1
1 198 . 14 1 1 A 21 21 LYS H H 21 8.010 8.643 -0.633 1
1 199 . 14 1 1 A 21 21 LYS HA H 21 4.077 5.251 -1.174 1
1 208 . 14 1 1 A 21 21 LYS CA C 21 56.558 54.751 1.807 1
1 209 . 14 1 1 A 21 21 LYS CB C 21 32.435 35.704 -3.269 1
1 213 . 14 1 1 A 21 21 LYS N N 21 122.666 120.019 2.647 1
1 214 . 14 1 1 A 22 22 ARG H H 22 8.007 8.952 -0.945 1
1 215 . 14 1 1 A 22 22 ARG HA H 22 4.257 3.778 0.479 1
1 222 . 14 1 1 A 22 22 ARG CA C 22 56.480 56.941 -0.461 1
1 223 . 14 1 1 A 22 22 ARG CB C 22 30.000 28.719 1.281 1
1 226 . 14 1 1 A 22 22 ARG N N 22 117.459 122.076 -4.617 1
1 227 . 14 1 1 A 23 23 TRP H H 23 7.211 7.334 -0.123 1
1 228 . 14 1 1 A 23 23 TRP HA H 23 4.938 5.470 -0.532 1
1 237 . 14 1 1 A 23 23 TRP CA C 23 55.206 54.955 0.251 1
1 238 . 14 1 1 A 23 23 TRP CB C 23 30.772 32.713 -1.941 1
1 244 . 14 1 1 A 23 23 TRP N N 23 118.844 120.773 -1.929 1
1 246 . 14 1 1 A 24 24 SER H H 24 8.764 8.760 0.004 1
1 247 . 14 1 1 A 24 24 SER HA H 24 4.520 5.122 -0.602 1
1 250 . 14 1 1 A 24 24 SER CA C 24 57.647 57.484 0.163 1
1 251 . 14 1 1 A 24 24 SER CB C 24 64.419 65.800 -1.381 1
1 252 . 14 1 1 A 24 24 SER N N 24 117.454 113.707 3.747 1
1 253 . 14 1 1 A 25 25 GLU H H 25 8.976 9.105 -0.129 1
1 254 . 14 1 1 A 25 25 GLU HA H 25 4.076 4.144 -0.068 1
1 259 . 14 1 1 A 25 25 GLU CA C 25 59.360 59.790 -0.430 1
1 260 . 14 1 1 A 25 25 GLU CB C 25 28.960 29.486 -0.526 1
1 262 . 14 1 1 A 25 25 GLU N N 25 122.323 124.113 -1.790 1
1 263 . 14 1 1 A 26 26 ASP H H 26 8.608 7.888 0.720 1
1 264 . 14 1 1 A 26 26 ASP HA H 26 4.400 4.370 0.030 1
1 267 . 14 1 1 A 26 26 ASP CA C 26 56.327 56.874 -0.547 1
1 268 . 14 1 1 A 26 26 ASP CB C 26 40.700 40.912 -0.212 1
1 269 . 14 1 1 A 26 26 ASP N N 26 118.165 119.683 -1.518 1
1 270 . 14 1 1 A 27 27 HIS H H 27 7.891 7.658 0.233 1
1 271 . 14 1 1 A 27 27 HIS HA H 27 4.247 4.381 -0.134 1
1 275 . 14 1 1 A 27 27 HIS CA C 27 58.271 59.298 -1.027 1
1 276 . 14 1 1 A 27 27 HIS CB C 27 30.483 29.782 0.701 1
1 278 . 14 1 1 A 27 27 HIS N N 27 120.183 118.507 1.676 1
1 279 . 14 1 1 A 28 28 ARG H H 28 8.676 8.321 0.355 1
1 280 . 14 1 1 A 28 28 ARG HA H 28 3.720 3.943 -0.223 1
1 287 . 14 1 1 A 28 28 ARG CA C 28 59.444 59.528 -0.084 1
1 288 . 14 1 1 A 28 28 ARG CB C 28 30.315 30.093 0.222 1
1 291 . 14 1 1 A 28 28 ARG N N 28 118.156 120.693 -2.537 1
1 292 . 14 1 1 A 29 29 SER H H 29 8.359 8.231 0.128 1
1 293 . 14 1 1 A 29 29 SER HA H 29 4.295 4.233 0.062 1
1 296 . 14 1 1 A 29 29 SER CA C 29 60.916 61.704 -0.788 1
1 297 . 14 1 1 A 29 29 SER CB C 29 62.629 62.954 -0.325 1
1 298 . 14 1 1 A 29 29 SER N N 29 115.374 117.113 -1.739 1
1 299 . 14 1 1 A 30 30 ARG H H 30 7.860 7.297 0.563 1
1 300 . 14 1 1 A 30 30 ARG HA H 30 3.850 4.195 -0.345 1
1 307 . 14 1 1 A 30 30 ARG CA C 30 59.162 59.168 -0.006 1
1 308 . 14 1 1 A 30 30 ARG CB C 30 30.171 30.815 -0.644 1
1 311 . 14 1 1 A 30 30 ARG N N 30 124.066 122.563 1.503 1
1 312 . 14 1 1 A 31 31 VAL H H 31 7.928 8.369 -0.441 1
1 313 . 14 1 1 A 31 31 VAL HA H 31 4.728 3.784 0.944 1
1 321 . 14 1 1 A 31 31 VAL CA C 31 66.054 65.749 0.305 1
1 322 . 14 1 1 A 31 31 VAL CB C 31 31.961 31.502 0.459 1
1 325 . 14 1 1 A 31 31 VAL N N 31 116.760 119.775 -3.015 1
1 326 . 14 1 1 A 32 32 LEU H H 32 7.314 7.699 -0.385 1
1 327 . 14 1 1 A 32 32 LEU HA H 32 3.867 4.064 -0.197 1
1 337 . 14 1 1 A 32 32 LEU CA C 32 57.406 58.462 -1.056 1
1 338 . 14 1 1 A 32 32 LEU CB C 32 40.912 41.870 -0.958 1
1 342 . 14 1 1 A 32 32 LEU N N 32 117.541 121.653 -4.112 1
1 343 . 14 1 1 A 33 33 ARG H H 33 7.914 7.986 -0.072 1
1 344 . 14 1 1 A 33 33 ARG HA H 33 4.070 3.962 0.108 1
1 351 . 14 1 1 A 33 33 ARG CA C 33 58.815 59.836 -1.021 1
1 352 . 14 1 1 A 33 33 ARG CB C 33 29.393 29.715 -0.322 1
1 355 . 14 1 1 A 33 33 ARG N N 33 118.510 119.807 -1.297 1
1 356 . 14 1 1 A 34 34 TYR H H 34 8.211 8.297 -0.086 1
1 357 . 14 1 1 A 34 34 TYR HA H 34 4.533 4.171 0.362 1
1 364 . 14 1 1 A 34 34 TYR CA C 34 59.593 61.401 -1.808 1
1 365 . 14 1 1 A 34 34 TYR CB C 34 37.021 39.005 -1.984 1
1 368 . 14 1 1 A 34 34 TYR N N 34 116.416 122.315 -5.899 1
1 369 . 14 1 1 A 35 35 LEU H H 35 7.904 8.648 -0.744 1
1 370 . 14 1 1 A 35 35 LEU HA H 35 3.670 4.054 -0.384 1
1 380 . 14 1 1 A 35 35 LEU CA C 35 57.967 58.267 -0.300 1
1 381 . 14 1 1 A 35 35 LEU CB C 35 40.740 41.691 -0.951 1
1 385 . 14 1 1 A 35 35 LEU N N 35 118.885 121.019 -2.134 1
1 386 . 14 1 1 A 36 36 GLU H H 36 8.662 8.787 -0.125 1
1 387 . 14 1 1 A 36 36 GLU HA H 36 3.993 4.292 -0.299 1
1 392 . 14 1 1 A 36 36 GLU CA C 36 59.749 58.834 0.915 1
1 393 . 14 1 1 A 36 36 GLU CB C 36 29.887 28.631 1.256 1
1 395 . 14 1 1 A 36 36 GLU N N 36 120.936 117.264 3.672 1
1 396 . 14 1 1 A 37 37 LEU H H 37 8.195 7.656 0.539 1
1 397 . 14 1 1 A 37 37 LEU HA H 37 3.979 4.309 -0.330 1
1 407 . 14 1 1 A 37 37 LEU CA C 37 56.947 55.580 1.367 1
1 408 . 14 1 1 A 37 37 LEU CB C 37 42.936 41.845 1.091 1
1 412 . 14 1 1 A 37 37 LEU N N 37 116.413 119.826 -3.413 1
1 413 . 14 1 1 A 38 38 TYR H H 38 7.663 7.907 -0.244 1
1 414 . 14 1 1 A 38 38 TYR HA H 38 4.951 4.596 0.355 1
1 421 . 14 1 1 A 38 38 TYR CA C 38 58.581 59.584 -1.003 1
1 422 . 14 1 1 A 38 38 TYR CB C 38 41.068 39.724 1.344 1
1 425 . 14 1 1 A 38 38 TYR N N 38 110.509 120.043 -9.534 1
1 426 . 14 1 1 A 39 39 ILE H H 39 7.833 8.232 -0.399 1
1 427 . 14 1 1 A 39 39 ILE HA H 39 4.642 3.832 0.810 1
1 437 . 14 1 1 A 39 39 ILE CA C 39 60.000 62.425 -2.425 1
1 438 . 14 1 1 A 39 39 ILE CB C 39 37.111 38.988 -1.877 1
1 442 . 14 1 1 A 39 39 ILE N N 39 116.068 118.877 -2.809 1
1 443 . 14 1 1 A 40 40 PHE H H 40 9.117 7.463 1.654 1
1 444 . 14 1 1 A 40 40 PHE HA H 40 4.634 5.100 -0.466 1
1 452 . 14 1 1 A 40 40 PHE CA C 40 57.492 54.808 2.684 1
1 453 . 14 1 1 A 40 40 PHE CB C 40 34.374 37.975 -3.601 1
1 457 . 14 1 1 A 40 40 PHE N N 40 121.241 119.374 1.867 1
1 458 . 14 1 1 A 41 41 PRO HA H 41 4.388 4.711 -0.323 1
1 465 . 14 1 1 A 41 41 PRO CA C 41 66.132 66.042 0.090 1
1 466 . 14 1 1 A 41 41 PRO CB C 41 31.261 31.342 -0.081 1
1 469 . 14 1 1 A 42 42 HIS H H 42 7.153 8.157 -1.004 1
1 470 . 14 1 1 A 42 42 HIS HA H 42 4.678 4.667 0.011 1
1 474 . 14 1 1 A 42 42 HIS CA C 42 57.336 56.254 1.082 1
1 475 . 14 1 1 A 42 42 HIS CB C 42 32.895 31.611 1.284 1
1 477 . 14 1 1 A 42 42 HIS N N 42 111.205 114.763 -3.558 1
1 478 . 14 1 1 A 43 43 ILE H H 43 7.327 7.822 -0.495 1
1 479 . 14 1 1 A 43 43 ILE HA H 43 4.938 4.151 0.787 1
1 489 . 14 1 1 A 43 43 ILE CA C 43 60.527 62.237 -1.710 1
1 490 . 14 1 1 A 43 43 ILE CB C 43 40.445 37.528 2.917 1
1 494 . 14 1 1 A 43 43 ILE N N 43 105.996 112.929 -6.933 1
1 495 . 14 1 1 A 44 44 GLY H H 44 8.958 8.233 0.725 1
1 496 . 14 1 1 A 44 44 GLY HA2 H 44 4.340 3.883 0.457 1
1 497 . 14 1 1 A 44 44 GLY HA3 H 44 3.855 3.955 -0.100 1
1 498 . 14 1 1 A 44 44 GLY CA C 44 48.385 46.019 2.366 1
1 499 . 14 1 1 A 44 44 GLY N N 44 110.704 112.872 -2.168 1
1 500 . 14 1 1 A 45 45 SER H H 45 8.294 7.723 0.571 1
1 501 . 14 1 1 A 45 45 SER HA H 45 4.517 4.465 0.052 1
1 504 . 14 1 1 A 45 45 SER CA C 45 58.270 58.782 -0.512 1
1 505 . 14 1 1 A 45 45 SER CB C 45 63.563 63.547 0.016 1
1 506 . 14 1 1 A 45 45 SER N N 45 110.505 115.859 -5.354 1
1 507 . 14 1 1 A 46 46 SER H H 46 7.689 7.346 0.343 1
1 508 . 14 1 1 A 46 46 SER HA H 46 4.322 5.051 -0.729 1
1 511 . 14 1 1 A 46 46 SER CA C 46 59.282 57.560 1.722 1
1 512 . 14 1 1 A 46 46 SER CB C 46 63.719 64.294 -0.575 1
1 513 . 14 1 1 A 46 46 SER N N 46 119.190 116.494 2.696 1
1 514 . 14 1 1 A 47 47 ASP H H 47 8.646 8.718 -0.072 1
1 515 . 14 1 1 A 47 47 ASP HA H 47 4.446 5.060 -0.614 1
1 518 . 14 1 1 A 47 47 ASP CA C 47 54.145 52.565 1.580 1
1 519 . 14 1 1 A 47 47 ASP CB C 47 41.652 41.812 -0.160 1
1 520 . 14 1 1 A 47 47 ASP N N 47 124.868 126.384 -1.516 1
1 521 . 14 1 1 A 48 48 ILE H H 48 9.406 8.428 0.978 1
1 522 . 14 1 1 A 48 48 ILE HA H 48 4.091 3.797 0.294 1
1 532 . 14 1 1 A 48 48 ILE CA C 48 63.844 65.055 -1.211 1
1 533 . 14 1 1 A 48 48 ILE CB C 48 39.845 37.448 2.397 1
1 537 . 14 1 1 A 48 48 ILE N N 48 129.573 120.609 8.964 1
1 538 . 14 1 1 A 49 49 ARG H H 49 9.004 7.686 1.318 1
1 539 . 14 1 1 A 49 49 ARG HA H 49 4.166 4.134 0.032 1
1 546 . 14 1 1 A 49 49 ARG CA C 49 57.534 59.133 -1.599 1
1 547 . 14 1 1 A 49 49 ARG CB C 49 29.870 30.290 -0.420 1
1 548 . 14 1 1 A 49 49 ARG N N 49 119.541 120.569 -1.028 1
1 549 . 14 1 1 A 50 50 GLN H H 50 7.868 7.627 0.241 1
1 550 . 14 1 1 A 50 50 GLN HA H 50 4.498 4.557 -0.059 1
1 557 . 14 1 1 A 50 50 GLN CA C 50 54.633 54.280 0.353 1
1 558 . 14 1 1 A 50 50 GLN CB C 50 29.548 28.817 0.731 1
1 560 . 14 1 1 A 50 50 GLN N N 50 114.374 119.500 -5.126 1
1 562 . 14 1 1 A 51 51 LEU H H 51 6.799 8.848 -2.049 1
1 563 . 14 1 1 A 51 51 LEU HA H 51 4.516 5.136 -0.620 1
1 573 . 14 1 1 A 51 51 LEU CA C 51 54.519 53.721 0.798 1
1 574 . 14 1 1 A 51 51 LEU CB C 51 43.014 45.572 -2.558 1
1 578 . 14 1 1 A 51 51 LEU N N 51 119.548 127.645 -8.097 1
1 579 . 14 1 1 A 52 52 LYS H H 52 10.373 8.430 1.943 1
1 580 . 14 1 1 A 52 52 LYS HA H 52 4.725 4.713 0.012 1
1 589 . 14 1 1 A 52 52 LYS CA C 52 53.806 54.543 -0.737 1
1 590 . 14 1 1 A 52 52 LYS CB C 52 34.394 34.782 -0.388 1
1 594 . 14 1 1 A 52 52 LYS N N 52 125.943 123.279 2.664 1
1 595 . 14 1 1 A 53 53 THR H H 53 8.724 8.644 0.080 1
1 596 . 14 1 1 A 53 53 THR HA H 53 4.727 4.864 -0.137 1
1 601 . 14 1 1 A 53 53 THR CA C 53 57.570 60.440 -2.870 1
1 602 . 14 1 1 A 53 53 THR CB C 53 68.467 69.668 -1.201 1
1 604 . 14 1 1 A 53 53 THR N N 53 117.533 112.759 4.774 1
1 605 . 14 1 1 A 54 54 SER H H 54 8.416 8.858 -0.442 1
1 606 . 14 1 1 A 54 54 SER HA H 54 4.743 4.262 0.481 1
1 609 . 14 1 1 A 54 54 SER CA C 54 61.306 61.191 0.115 1
1 610 . 14 1 1 A 54 54 SER CB C 54 61.132 62.829 -1.697 1
1 611 . 14 1 1 A 54 54 SER N N 54 112.941 116.186 -3.245 1
1 612 . 14 1 1 A 55 55 HIS H H 55 7.077 7.738 -0.661 1
1 613 . 14 1 1 A 55 55 HIS HA H 55 4.425 4.337 0.088 1
1 617 . 14 1 1 A 55 55 HIS CA C 55 58.659 59.349 -0.690 1
1 618 . 14 1 1 A 55 55 HIS CB C 55 33.051 30.038 3.013 1
1 620 . 14 1 1 A 55 55 HIS N N 55 120.680 118.774 1.906 1
1 621 . 14 1 1 A 56 56 LEU H H 56 7.410 7.649 -0.239 1
1 622 . 14 1 1 A 56 56 LEU HA H 56 3.916 4.019 -0.103 1
1 632 . 14 1 1 A 56 56 LEU CA C 56 56.558 57.302 -0.744 1
1 633 . 14 1 1 A 56 56 LEU CB C 56 42.547 41.488 1.059 1
1 637 . 14 1 1 A 56 56 LEU N N 56 115.029 115.847 -0.818 1
1 638 . 14 1 1 A 57 57 LEU H H 57 7.906 7.776 0.130 1
1 639 . 14 1 1 A 57 57 LEU HA H 57 4.073 4.025 0.048 1
1 649 . 14 1 1 A 57 57 LEU CA C 57 56.047 57.279 -1.232 1
1 650 . 14 1 1 A 57 57 LEU CB C 57 42.575 41.272 1.303 1
1 654 . 14 1 1 A 57 57 LEU N N 57 113.214 122.030 -8.816 1
1 655 . 14 1 1 A 58 58 ALA H H 58 7.367 8.377 -1.010 1
1 656 . 14 1 1 A 58 58 ALA HA H 58 4.176 4.095 0.081 1
1 660 . 14 1 1 A 58 58 ALA CA C 58 57.049 57.021 0.028 1
1 661 . 14 1 1 A 58 58 ALA CB C 58 15.362 17.578 -2.216 1
1 662 . 14 1 1 A 58 58 ALA N N 58 120.662 121.190 -0.528 1
1 663 . 14 1 1 A 59 59 PRO HA H 59 4.133 4.295 -0.162 1
1 670 . 14 1 1 A 59 59 PRO CA C 59 65.120 65.314 -0.194 1
1 671 . 14 1 1 A 59 59 PRO CB C 59 31.183 30.805 0.378 1
1 674 . 14 1 1 A 60 60 ILE H H 60 6.643 6.940 -0.297 1
1 675 . 14 1 1 A 60 60 ILE HA H 60 3.383 3.759 -0.376 1
1 685 . 14 1 1 A 60 60 ILE CA C 60 64.886 63.615 1.271 1
1 686 . 14 1 1 A 60 60 ILE CB C 60 37.799 36.884 0.915 1
1 690 . 14 1 1 A 60 60 ILE N N 60 117.809 116.785 1.024 1
1 691 . 14 1 1 A 61 61 LYS H H 61 8.635 7.990 0.645 1
1 692 . 14 1 1 A 61 61 LYS HA H 61 3.992 3.915 0.077 1
1 701 . 14 1 1 A 61 61 LYS CA C 61 59.048 58.851 0.197 1
1 702 . 14 1 1 A 61 61 LYS CB C 61 31.678 31.815 -0.137 1
1 706 . 14 1 1 A 61 61 LYS N N 61 120.585 123.133 -2.548 1
1 707 . 14 1 1 A 62 62 GLU H H 62 7.664 8.035 -0.371 1
1 708 . 14 1 1 A 62 62 GLU HA H 62 3.992 4.010 -0.018 1
1 713 . 14 1 1 A 62 62 GLU CA C 62 59.593 59.048 0.545 1
1 714 . 14 1 1 A 62 62 GLU CB C 62 28.975 29.414 -0.439 1
1 716 . 14 1 1 A 62 62 GLU N N 62 118.505 118.990 -0.485 1
1 717 . 14 1 1 A 63 63 VAL H H 63 7.227 7.766 -0.539 1
1 718 . 14 1 1 A 63 63 VAL HA H 63 3.545 3.473 0.072 1
1 726 . 14 1 1 A 63 63 VAL CA C 63 65.663 66.112 -0.449 1
1 727 . 14 1 1 A 63 63 VAL CB C 63 31.650 31.743 -0.093 1
1 730 . 14 1 1 A 63 63 VAL N N 63 119.540 120.387 -0.847 1
1 731 . 14 1 1 A 64 64 ASP H H 64 8.281 8.277 0.004 1
1 732 . 14 1 1 A 64 64 ASP HA H 64 3.984 4.752 -0.768 1
1 735 . 14 1 1 A 64 64 ASP CA C 64 58.860 57.450 1.410 1
1 736 . 14 1 1 A 64 64 ASP CB C 64 42.561 41.242 1.319 1
1 737 . 14 1 1 A 64 64 ASP N N 64 122.316 120.218 2.098 1
1 738 . 14 1 1 A 65 65 THR H H 65 8.818 8.263 0.555 1
1 739 . 14 1 1 A 65 65 THR HA H 65 4.310 3.920 0.390 1
1 744 . 14 1 1 A 65 65 THR CA C 65 68.825 65.871 2.954 1
1 745 . 14 1 1 A 65 65 THR CB C 65 65.195 68.618 -3.423 1
1 747 . 14 1 1 A 65 65 THR N N 65 112.808 116.790 -3.982 1
1 748 . 14 1 1 A 66 66 SER H H 66 7.596 7.796 -0.200 1
1 749 . 14 1 1 A 66 66 SER HA H 66 4.469 4.259 0.210 1
1 752 . 14 1 1 A 66 66 SER CA C 66 59.827 60.899 -1.072 1
1 753 . 14 1 1 A 66 66 SER CB C 66 63.641 63.489 0.152 1
1 754 . 14 1 1 A 66 66 SER N N 66 116.412 116.355 0.057 1
1 755 . 14 1 1 A 67 67 GLY H H 67 7.781 7.662 0.119 1
1 756 . 14 1 1 A 67 67 GLY HA2 H 67 4.467 4.069 0.398 1
1 757 . 14 1 1 A 67 67 GLY HA3 H 67 3.355 4.088 -0.733 1
1 758 . 14 1 1 A 67 67 GLY CA C 67 44.337 45.114 -0.777 1
1 759 . 14 1 1 A 67 67 GLY N N 67 108.565 106.216 2.349 1
1 760 . 14 1 1 A 68 68 LYS H H 68 6.932 8.940 -2.008 1
1 761 . 14 1 1 A 68 68 LYS HA H 68 4.706 3.910 0.796 1
1 770 . 14 1 1 A 68 68 LYS CA C 68 54.145 57.169 -3.024 1
1 771 . 14 1 1 A 68 68 LYS CB C 68 30.325 29.732 0.593 1
1 775 . 14 1 1 A 68 68 LYS N N 68 121.979 118.926 3.053 1
1 776 . 14 1 1 A 69 69 HIS H H 69 7.630 8.358 -0.728 1
1 777 . 14 1 1 A 69 69 HIS HA H 69 4.544 4.370 0.174 1
1 780 . 14 1 1 A 69 69 HIS CA C 69 58.270 58.661 -0.391 1
1 781 . 14 1 1 A 69 69 HIS CB C 69 28.303 28.715 -0.412 1
1 782 . 14 1 1 A 69 69 HIS N N 69 119.617 117.045 2.572 1
1 783 . 14 1 1 A 70 70 ASP H H 70 8.779 8.235 0.544 1
1 784 . 14 1 1 A 70 70 ASP HA H 70 4.330 4.127 0.203 1
1 787 . 14 1 1 A 70 70 ASP CA C 70 56.869 57.172 -0.303 1
1 788 . 14 1 1 A 70 70 ASP CB C 70 39.433 40.983 -1.550 1
1 789 . 14 1 1 A 70 70 ASP N N 70 118.586 121.183 -2.597 1
1 790 . 14 1 1 A 71 71 VAL H H 71 7.575 7.827 -0.252 1
1 791 . 14 1 1 A 71 71 VAL HA H 71 3.232 3.564 -0.332 1
1 799 . 14 1 1 A 71 71 VAL CA C 71 66.131 66.546 -0.415 1
1 800 . 14 1 1 A 71 71 VAL CB C 71 31.105 31.467 -0.362 1
1 803 . 14 1 1 A 71 71 VAL N N 71 121.186 119.449 1.737 1
1 804 . 14 1 1 A 72 72 ALA H H 72 8.022 8.340 -0.318 1
1 805 . 14 1 1 A 72 72 ALA HA H 72 3.682 3.979 -0.297 1
1 809 . 14 1 1 A 72 72 ALA CA C 72 55.702 55.919 -0.217 1
1 810 . 14 1 1 A 72 72 ALA CB C 72 18.028 18.113 -0.085 1
1 811 . 14 1 1 A 72 72 ALA N N 72 120.675 121.981 -1.306 1
1 812 . 14 1 1 A 73 73 GLN H H 73 7.793 7.665 0.128 1
1 813 . 14 1 1 A 73 73 GLN HA H 73 3.971 3.939 0.032 1
1 820 . 14 1 1 A 73 73 GLN CA C 73 58.872 59.176 -0.304 1
1 821 . 14 1 1 A 73 73 GLN CB C 73 28.073 28.306 -0.233 1
1 823 . 14 1 1 A 73 73 GLN N N 73 115.949 117.690 -1.741 1
1 825 . 14 1 1 A 74 74 ARG H H 74 7.795 7.850 -0.055 1
1 826 . 14 1 1 A 74 74 ARG HA H 74 4.108 4.060 0.048 1
1 833 . 14 1 1 A 74 74 ARG CA C 74 59.282 58.979 0.303 1
1 834 . 14 1 1 A 74 74 ARG CB C 74 29.857 29.849 0.008 1
1 837 . 14 1 1 A 74 74 ARG N N 74 119.896 119.944 -0.048 1
1 838 . 14 1 1 A 75 75 LEU H H 75 8.850 8.418 0.432 1
1 839 . 14 1 1 A 75 75 LEU HA H 75 3.935 4.150 -0.215 1
1 849 . 14 1 1 A 75 75 LEU CA C 75 57.803 58.026 -0.223 1
1 850 . 14 1 1 A 75 75 LEU CB C 75 42.858 41.356 1.502 1
1 854 . 14 1 1 A 75 75 LEU N N 75 118.044 120.090 -2.046 1
1 855 . 14 1 1 A 76 76 GLN H H 76 8.412 8.498 -0.086 1
1 856 . 14 1 1 A 76 76 GLN HA H 76 3.790 4.008 -0.218 1
1 861 . 14 1 1 A 76 76 GLN CA C 76 60.294 59.096 1.198 1
1 862 . 14 1 1 A 76 76 GLN CB C 76 27.995 27.979 0.016 1
1 864 . 14 1 1 A 76 76 GLN N N 76 119.109 118.058 1.051 1
1 865 . 14 1 1 A 77 77 GLN H H 77 7.788 8.362 -0.574 1
1 866 . 14 1 1 A 77 77 GLN HA H 77 4.090 4.062 0.028 1
1 873 . 14 1 1 A 77 77 GLN CA C 77 59.318 59.152 0.166 1
1 874 . 14 1 1 A 77 77 GLN CB C 77 28.054 28.284 -0.230 1
1 876 . 14 1 1 A 77 77 GLN N N 77 119.616 119.436 0.180 1
1 878 . 14 1 1 A 78 78 ARG H H 78 8.552 7.916 0.636 1
1 879 . 14 1 1 A 78 78 ARG HA H 78 4.171 3.933 0.238 1
1 886 . 14 1 1 A 78 78 ARG CA C 78 57.946 59.155 -1.209 1
1 887 . 14 1 1 A 78 78 ARG CB C 78 28.958 29.872 -0.914 1
1 890 . 14 1 1 A 78 78 ARG N N 78 118.044 118.915 -0.871 1
1 891 . 14 1 1 A 79 79 VAL H H 79 8.958 8.011 0.947 1
1 892 . 14 1 1 A 79 79 VAL HA H 79 3.603 3.963 -0.360 1
1 900 . 14 1 1 A 79 79 VAL CA C 79 67.284 66.761 0.523 1
1 901 . 14 1 1 A 79 79 VAL CB C 79 31.228 31.985 -0.757 1
1 904 . 14 1 1 A 79 79 VAL N N 79 116.998 120.237 -3.239 1
1 905 . 14 1 1 A 80 80 THR H H 80 7.938 7.998 -0.060 1
1 906 . 14 1 1 A 80 80 THR HA H 80 4.301 4.180 0.121 1
1 911 . 14 1 1 A 80 80 THR CA C 80 67.976 65.347 2.629 1
1 912 . 14 1 1 A 80 80 THR CB C 80 67.466 68.381 -0.915 1
1 914 . 14 1 1 A 80 80 THR N N 80 115.701 111.761 3.940 1
1 915 . 14 1 1 A 81 81 ALA H H 81 7.656 7.928 -0.272 1
1 916 . 14 1 1 A 81 81 ALA HA H 81 4.070 4.081 -0.011 1
1 920 . 14 1 1 A 81 81 ALA CA C 81 55.232 55.045 0.187 1
1 921 . 14 1 1 A 81 81 ALA CB C 81 18.087 17.913 0.174 1
1 922 . 14 1 1 A 81 81 ALA N N 81 124.407 123.939 0.468 1
1 923 . 14 1 1 A 82 82 ILE H H 82 7.901 8.289 -0.388 1
1 924 . 14 1 1 A 82 82 ILE HA H 82 2.733 3.878 -1.145 1
1 934 . 14 1 1 A 82 82 ILE CA C 82 65.450 64.898 0.552 1
1 935 . 14 1 1 A 82 82 ILE CB C 82 37.569 37.507 0.062 1
1 939 . 14 1 1 A 82 82 ILE N N 82 121.196 119.338 1.858 1
1 940 . 14 1 1 A 83 83 MET H H 83 8.258 8.405 -0.147 1
1 941 . 14 1 1 A 83 83 MET HA H 83 4.556 4.114 0.442 1
1 949 . 14 1 1 A 83 83 MET CA C 83 56.403 58.881 -2.478 1
1 950 . 14 1 1 A 83 83 MET CB C 83 29.782 32.123 -2.341 1
1 953 . 14 1 1 A 83 83 MET N N 83 120.154 118.651 1.503 1
1 954 . 14 1 1 A 84 84 ARG H H 84 7.915 7.733 0.182 1
1 955 . 14 1 1 A 84 84 ARG HA H 84 4.039 3.980 0.059 1
1 962 . 14 1 1 A 84 84 ARG CA C 84 59.749 59.435 0.314 1
1 963 . 14 1 1 A 84 84 ARG CB C 84 30.000 29.929 0.071 1
1 966 . 14 1 1 A 84 84 ARG N N 84 116.534 119.038 -2.504 1
1 967 . 14 1 1 A 85 85 TYR H H 85 8.221 7.853 0.368 1
1 968 . 14 1 1 A 85 85 TYR HA H 85 4.255 4.305 -0.050 1
1 975 . 14 1 1 A 85 85 TYR CA C 85 61.382 61.183 0.199 1
1 976 . 14 1 1 A 85 85 TYR CB C 85 38.499 37.424 1.075 1
1 979 . 14 1 1 A 85 85 TYR N N 85 122.313 119.787 2.526 1
1 980 . 14 1 1 A 86 86 ALA H H 86 8.804 8.575 0.229 1
1 981 . 14 1 1 A 86 86 ALA HA H 86 4.223 4.420 -0.197 1
1 985 . 14 1 1 A 86 86 ALA CA C 86 55.043 55.119 -0.076 1
1 986 . 14 1 1 A 86 86 ALA CB C 86 18.087 18.178 -0.091 1
1 987 . 14 1 1 A 86 86 ALA N N 86 123.291 122.828 0.463 1
1 988 . 14 1 1 A 87 87 VAL H H 87 8.113 7.437 0.676 1
1 989 . 14 1 1 A 87 87 VAL HA H 87 4.170 3.663 0.507 1
1 997 . 14 1 1 A 87 87 VAL CA C 87 65.146 66.649 -1.503 1
1 998 . 14 1 1 A 87 87 VAL CB C 87 31.897 31.620 0.277 1
1 1001 . 14 1 1 A 87 87 VAL N N 87 120.144 117.847 2.297 1
1 1002 . 14 1 1 A 88 88 GLN H H 88 8.458 8.122 0.336 1
1 1003 . 14 1 1 A 88 88 GLN HA H 88 3.983 3.996 -0.013 1
1 1010 . 14 1 1 A 88 88 GLN CA C 88 58.270 59.095 -0.825 1
1 1011 . 14 1 1 A 88 88 GLN CB C 88 28.075 28.172 -0.097 1
1 1013 . 14 1 1 A 88 88 GLN N N 88 120.751 119.728 1.023 1
1 1015 . 14 1 1 A 89 89 ASN H H 89 7.359 8.220 -0.861 1
1 1016 . 14 1 1 A 89 89 ASN HA H 89 4.486 4.890 -0.404 1
1 1021 . 14 1 1 A 89 89 ASN CA C 89 53.444 52.841 0.603 1
1 1022 . 14 1 1 A 89 89 ASN CB C 89 38.932 39.100 -0.168 1
1 1023 . 14 1 1 A 89 89 ASN N N 89 113.850 114.642 -0.792 1
1 1025 . 14 1 1 A 90 90 ASP H H 90 7.849 7.993 -0.144 1
1 1026 . 14 1 1 A 90 90 ASP HA H 90 4.387 4.326 0.061 1
1 1029 . 14 1 1 A 90 90 ASP CA C 90 55.935 54.795 1.140 1
1 1030 . 14 1 1 A 90 90 ASP CB C 90 38.811 39.090 -0.279 1
1 1031 . 14 1 1 A 90 90 ASP N N 90 113.293 118.839 -5.546 1
1 1032 . 14 1 1 A 91 91 TYR H H 91 8.489 8.718 -0.229 1
1 1033 . 14 1 1 A 91 91 TYR HA H 91 4.589 4.715 -0.126 1
1 1040 . 14 1 1 A 91 91 TYR CA C 91 60.000 59.184 0.816 1
1 1041 . 14 1 1 A 91 91 TYR CB C 91 38.811 40.431 -1.620 1
1 1044 . 14 1 1 A 91 91 TYR N N 91 116.072 118.772 -2.700 1
1 1045 . 14 1 1 A 92 92 ILE H H 92 7.131 7.328 -0.197 1
1 1046 . 14 1 1 A 92 92 ILE HA H 92 4.684 4.636 0.048 1
1 1056 . 14 1 1 A 92 92 ILE CA C 92 59.126 59.242 -0.116 1
1 1057 . 14 1 1 A 92 92 ILE CB C 92 41.846 40.828 1.018 1
1 1061 . 14 1 1 A 92 92 ILE N N 92 107.409 117.027 -9.618 1
1 1062 . 14 1 1 A 93 93 ASP H H 93 8.731 9.183 -0.452 1
1 1063 . 14 1 1 A 93 93 ASP HA H 93 4.707 4.759 -0.052 1
1 1066 . 14 1 1 A 93 93 ASP CA C 93 54.689 55.482 -0.793 1
1 1067 . 14 1 1 A 93 93 ASP CB C 93 41.924 42.785 -0.861 1
1 1068 . 14 1 1 A 93 93 ASP N N 93 118.847 122.201 -3.354 1
1 1069 . 14 1 1 A 94 94 SER H H 94 7.638 8.042 -0.404 1
1 1070 . 14 1 1 A 94 94 SER HA H 94 4.491 4.892 -0.401 1
1 1073 . 14 1 1 A 94 94 SER CA C 94 57.102 55.957 1.145 1
1 1074 . 14 1 1 A 94 94 SER CB C 94 64.186 65.825 -1.639 1
1 1075 . 14 1 1 A 94 94 SER N N 94 112.240 112.979 -0.739 1
1 1076 . 14 1 1 A 95 95 ASN H H 95 8.801 8.772 0.029 1
1 1077 . 14 1 1 A 95 95 ASN HA H 95 4.942 5.472 -0.530 1
1 1082 . 14 1 1 A 95 95 ASN CA C 95 49.941 50.359 -0.418 1
1 1083 . 14 1 1 A 95 95 ASN CB C 95 39.356 39.104 0.252 1
1 1084 . 14 1 1 A 95 95 ASN N N 95 119.551 120.752 -1.201 1
1 1086 . 14 1 1 A 96 96 PRO HA H 96 4.632 4.543 0.089 1
1 1093 . 14 1 1 A 96 96 PRO CA C 96 63.564 62.801 0.763 1
1 1094 . 14 1 1 A 96 96 PRO CB C 96 32.058 32.690 -0.632 1
1 1097 . 14 1 1 A 97 97 ALA H H 97 8.335 8.277 0.058 1
1 1098 . 14 1 1 A 97 97 ALA HA H 97 4.436 3.827 0.609 1
1 1102 . 14 1 1 A 97 97 ALA CA C 97 52.055 53.309 -1.254 1
1 1103 . 14 1 1 A 97 97 ALA CB C 97 18.998 17.780 1.218 1
1 1104 . 14 1 1 A 97 97 ALA N N 97 121.226 119.996 1.230 1
1 1105 . 14 1 1 A 98 98 SER H H 98 7.600 7.774 -0.174 1
1 1106 . 14 1 1 A 98 98 SER HA H 98 4.168 4.459 -0.291 1
1 1109 . 14 1 1 A 98 98 SER CA C 98 60.372 59.992 0.380 1
1 1110 . 14 1 1 A 98 98 SER CB C 98 63.018 62.730 0.288 1
1 1111 . 14 1 1 A 98 98 SER N N 98 114.935 113.175 1.760 1
1 1112 . 14 1 1 A 99 99 ASP H H 99 8.098 9.028 -0.930 1
1 1113 . 14 1 1 A 99 99 ASP HA H 99 4.760 4.436 0.324 1
1 1116 . 14 1 1 A 99 99 ASP CA C 99 54.300 55.252 -0.952 1
1 1117 . 14 1 1 A 99 99 ASP CB C 99 40.835 40.833 0.002 1
1 1118 . 14 1 1 A 99 99 ASP N N 99 119.889 124.693 -4.804 1
1 1119 . 14 1 1 A 100 100 MET H H 100 7.885 7.889 -0.004 1
1 1120 . 14 1 1 A 100 100 MET HA H 100 4.205 4.593 -0.388 1
1 1128 . 14 1 1 A 100 100 MET CA C 100 57.025 57.497 -0.472 1
1 1129 . 14 1 1 A 100 100 MET CB C 100 33.038 32.080 0.958 1
1 1132 . 14 1 1 A 100 100 MET N N 100 119.185 117.519 1.666 1
1 1133 . 14 1 1 A 101 101 ALA H H 101 8.041 7.564 0.477 1
1 1134 . 14 1 1 A 101 101 ALA HA H 101 4.137 4.419 -0.282 1
1 1138 . 14 1 1 A 101 101 ALA CA C 101 53.655 51.395 2.260 1
1 1139 . 14 1 1 A 101 101 ALA CB C 101 18.537 17.793 0.744 1
1 1140 . 14 1 1 A 101 101 ALA N N 101 122.264 121.647 0.617 1
1 1141 . 14 1 1 A 102 102 GLY H H 102 8.293 8.161 0.132 1
1 1142 . 14 1 1 A 102 102 GLY HA2 H 102 3.910 4.186 -0.276 1
1 1143 . 14 1 1 A 102 102 GLY HA3 H 102 3.913 4.189 -0.276 1
1 1144 . 14 1 1 A 102 102 GLY CA C 102 45.664 44.342 1.322 1
1 1145 . 14 1 1 A 102 102 GLY N N 102 107.557 109.857 -2.300 1
1 1146 . 14 1 1 A 103 103 ALA H H 103 7.955 8.283 -0.328 1
1 1147 . 14 1 1 A 103 103 ALA HA H 103 4.235 3.880 0.355 1
1 1151 . 14 1 1 A 103 103 ALA CA C 103 53.423 54.813 -1.390 1
1 1152 . 14 1 1 A 103 103 ALA CB C 103 19.219 17.904 1.315 1
1 1153 . 14 1 1 A 103 103 ALA N N 103 123.285 121.909 1.376 1
1 1154 . 14 1 1 A 104 104 LEU H H 104 8.145 8.551 -0.406 1
1 1155 . 14 1 1 A 104 104 LEU HA H 104 4.301 4.094 0.207 1
1 1165 . 14 1 1 A 104 104 LEU CA C 104 55.312 57.039 -1.727 1
1 1166 . 14 1 1 A 104 104 LEU CB C 104 41.644 41.644 0.000 1
1 1170 . 14 1 1 A 104 104 LEU N N 104 118.570 116.481 2.089 1
1 1171 . 14 1 1 A 105 105 SER H H 105 8.040 7.491 0.549 1
1 1172 . 14 1 1 A 105 105 SER HA H 105 4.390 4.515 -0.125 1
1 1175 . 14 1 1 A 105 105 SER CA C 105 58.893 58.738 0.155 1
1 1176 . 14 1 1 A 105 105 SER CB C 105 63.424 64.100 -0.676 1
1 1177 . 14 1 1 A 105 105 SER N N 105 115.022 111.414 3.608 1
1 1178 . 14 1 1 A 106 106 THR H H 106 8.032 7.578 0.454 1
1 1179 . 14 1 1 A 106 106 THR HA H 106 4.293 5.074 -0.781 1
1 1184 . 14 1 1 A 106 106 THR CA C 106 62.037 60.508 1.529 1
1 1185 . 14 1 1 A 106 106 THR CB C 106 69.401 70.893 -1.492 1
1 1187 . 14 1 1 A 106 106 THR N N 106 115.371 111.850 3.521 1
1 1188 . 14 1 1 A 107 107 THR H H 107 7.940 8.866 -0.926 1
1 1189 . 14 1 1 A 107 107 THR HA H 107 4.296 4.585 -0.289 1
1 1194 . 14 1 1 A 107 107 THR CA C 107 61.539 60.073 1.466 1
1 1195 . 14 1 1 A 107 107 THR CB C 107 61.610 70.921 -9.311 1
1 1197 . 14 1 1 A 107 107 THR N N 107 122.759 119.747 3.012 1
1 1198 . 14 1 1 A 108 108 LYS H H 108 8.240 8.994 -0.754 1
1 1199 . 14 1 1 A 108 108 LYS HA H 108 4.241 3.974 0.267 1
1 1208 . 14 1 1 A 108 108 LYS CA C 108 56.324 57.070 -0.746 1
1 1209 . 14 1 1 A 108 108 LYS CB C 108 32.817 31.026 1.791 1
1 1213 . 14 1 1 A 108 108 LYS N N 108 124.773 126.057 -1.284 1
1 1214 . 14 1 1 A 109 109 ALA H H 109 8.131 8.324 -0.193 1
1 1215 . 14 1 1 A 109 109 ALA HA H 109 4.224 4.278 -0.054 1
1 1219 . 14 1 1 A 109 109 ALA CA C 109 52.432 54.734 -2.302 1
1 1220 . 14 1 1 A 109 109 ALA CB C 109 19.017 19.484 -0.467 1
1 1221 . 14 1 1 A 109 109 ALA N N 109 124.331 126.255 -1.924 1
1 1222 . 14 1 1 A 110 110 ARG H H 110 8.114 8.049 0.065 1
1 1223 . 14 1 1 A 110 110 ARG HA H 110 4.191 3.992 0.199 1
1 1230 . 14 1 1 A 110 110 ARG CA C 110 56.013 56.793 -0.780 1
1 1231 . 14 1 1 A 110 110 ARG CB C 110 30.871 28.921 1.950 1
1 1234 . 14 1 1 A 110 110 ARG N N 110 119.544 117.775 1.769 1
1 1235 . 14 1 1 A 111 111 HIS H H 111 8.283 8.702 -0.419 1
1 1236 . 14 1 1 A 111 111 HIS HA H 111 4.604 4.727 -0.123 1
1 1240 . 14 1 1 A 111 111 HIS CA C 111 55.448 55.862 -0.414 1
1 1241 . 14 1 1 A 111 111 HIS CB C 111 29.866 31.043 -1.177 1
1 1243 . 14 1 1 A 111 111 HIS N N 111 119.886 122.119 -2.233 1
1 1244 . 14 1 1 A 112 112 TYR H H 112 8.179 7.405 0.774 1
1 1245 . 14 1 1 A 112 112 TYR HA H 112 4.766 4.921 -0.155 1
1 1252 . 14 1 1 A 112 112 TYR CA C 112 55.701 55.716 -0.015 1
1 1253 . 14 1 1 A 112 112 TYR CB C 112 38.110 41.841 -3.731 1
1 1256 . 14 1 1 A 112 112 TYR N N 112 122.673 118.398 4.275 1
1 1257 . 14 1 1 A 113 113 PRO HA H 113 4.399 4.636 -0.237 1
1 1264 . 14 1 1 A 113 113 PRO CA C 113 63.097 62.197 0.900 1
1 1265 . 14 1 1 A 113 113 PRO CB C 113 31.684 33.310 -1.626 1
1 1268 . 14 1 1 A 114 114 LEU H H 114 8.225 8.515 -0.290 1
1 1269 . 14 1 1 A 114 114 LEU HA H 114 4.265 4.495 -0.230 1
1 1279 . 14 1 1 A 114 114 LEU CA C 114 55.069 55.386 -0.317 1
1 1280 . 14 1 1 A 114 114 LEU CB C 114 42.104 44.868 -2.764 1
1 1284 . 14 1 1 A 114 114 LEU N N 114 121.625 120.242 1.383 1
1 1285 . 14 1 1 A 115 115 GLU H H 115 8.273 7.678 0.595 1
1 1286 . 14 1 1 A 115 115 GLU HA H 115 4.202 4.681 -0.479 1
1 1291 . 14 1 1 A 115 115 GLU CA C 115 56.402 55.507 0.895 1
1 1292 . 14 1 1 A 115 115 GLU CB C 115 30.249 30.709 -0.460 1
1 5 . 15 1 1 A 2 2 GLU HA H 2 4.399 4.742 -0.343 1
1 10 . 15 1 1 A 2 2 GLU CA C 2 56.358 54.488 1.870 1
1 11 . 15 1 1 A 2 2 GLU CB C 2 30.249 31.090 -0.841 1
1 13 . 15 1 1 A 3 3 ASN H H 3 8.699 8.692 0.007 1
1 14 . 15 1 1 A 3 3 ASN HA H 3 4.753 5.037 -0.284 1
1 19 . 15 1 1 A 3 3 ASN CA C 3 53.211 51.993 1.218 1
1 20 . 15 1 1 A 3 3 ASN CB C 3 38.733 39.035 -0.302 1
1 21 . 15 1 1 A 3 3 ASN N N 3 120.234 120.853 -0.619 1
1 23 . 15 1 1 A 4 4 SER H H 4 8.428 9.122 -0.694 1
1 24 . 15 1 1 A 4 4 SER HA H 4 4.395 5.325 -0.930 1
1 27 . 15 1 1 A 4 4 SER CA C 4 59.048 57.445 1.603 1
1 28 . 15 1 1 A 4 4 SER CB C 4 63.485 64.683 -1.198 1
1 29 . 15 1 1 A 4 4 SER N N 4 116.413 123.397 -6.984 1
1 30 . 15 1 1 A 5 5 GLY H H 5 8.525 8.748 -0.223 1
1 31 . 15 1 1 A 5 5 GLY HA2 H 5 3.970 4.313 -0.343 1
1 32 . 15 1 1 A 5 5 GLY HA3 H 5 3.969 4.367 -0.398 1
1 33 . 15 1 1 A 5 5 GLY CA C 5 45.717 43.947 1.770 1
1 34 . 15 1 1 A 5 5 GLY N N 5 111.196 112.043 -0.847 1
1 35 . 15 1 1 A 6 6 ALA H H 6 7.941 8.721 -0.780 1
1 36 . 15 1 1 A 6 6 ALA HA H 6 4.206 3.921 0.285 1
1 40 . 15 1 1 A 6 6 ALA CA C 6 52.988 52.900 0.088 1
1 41 . 15 1 1 A 6 6 ALA CB C 6 19.429 17.335 2.094 1
1 42 . 15 1 1 A 6 6 ALA N N 6 123.277 121.654 1.623 1
1 43 . 15 1 1 A 7 7 TYR H H 7 8.351 8.485 -0.134 1
1 44 . 15 1 1 A 7 7 TYR HA H 7 4.509 4.328 0.181 1
1 51 . 15 1 1 A 7 7 TYR CA C 7 57.528 60.887 -3.359 1
1 52 . 15 1 1 A 7 7 TYR CB C 7 39.356 38.231 1.125 1
1 55 . 15 1 1 A 7 7 TYR N N 7 114.900 117.289 -2.389 1
1 56 . 15 1 1 A 8 8 THR H H 8 7.735 6.788 0.947 1
1 57 . 15 1 1 A 8 8 THR HA H 8 4.922 3.729 1.193 1
1 62 . 15 1 1 A 8 8 THR CA C 8 60.827 61.898 -1.071 1
1 63 . 15 1 1 A 8 8 THR CB C 8 70.109 67.208 2.901 1
1 65 . 15 1 1 A 8 8 THR N N 8 110.856 109.612 1.244 1
1 66 . 15 1 1 A 9 9 PHE H H 9 8.816 8.281 0.535 1
1 67 . 15 1 1 A 9 9 PHE HA H 9 3.825 4.280 -0.455 1
1 75 . 15 1 1 A 9 9 PHE CA C 9 62.935 61.901 1.034 1
1 76 . 15 1 1 A 9 9 PHE CB C 9 39.373 39.786 -0.413 1
1 80 . 15 1 1 A 9 9 PHE N N 9 121.282 125.846 -4.564 1
1 81 . 15 1 1 A 10 10 GLU H H 10 9.741 8.382 1.359 1
1 82 . 15 1 1 A 10 10 GLU HA H 10 3.295 4.005 -0.710 1
1 87 . 15 1 1 A 10 10 GLU CA C 10 59.586 59.591 -0.005 1
1 88 . 15 1 1 A 10 10 GLU CB C 10 28.453 29.472 -1.019 1
1 90 . 15 1 1 A 10 10 GLU N N 10 117.454 117.450 0.004 1
1 91 . 15 1 1 A 11 11 THR H H 11 7.542 7.672 -0.130 1
1 92 . 15 1 1 A 11 11 THR HA H 11 3.667 3.908 -0.241 1
1 97 . 15 1 1 A 11 11 THR CA C 11 66.550 66.930 -0.380 1
1 98 . 15 1 1 A 11 11 THR CB C 11 66.557 67.750 -1.193 1
1 100 . 15 1 1 A 11 11 THR N N 11 115.970 118.143 -2.173 1
1 101 . 15 1 1 A 12 12 ILE H H 12 7.724 7.728 -0.004 1
1 102 . 15 1 1 A 12 12 ILE HA H 12 3.561 3.605 -0.044 1
1 112 . 15 1 1 A 12 12 ILE CA C 12 63.395 64.396 -1.001 1
1 113 . 15 1 1 A 12 12 ILE CB C 12 36.233 36.653 -0.420 1
1 117 . 15 1 1 A 12 12 ILE N N 12 122.235 121.376 0.859 1
1 118 . 15 1 1 A 13 13 ALA H H 13 9.099 7.613 1.486 1
1 119 . 15 1 1 A 13 13 ALA HA H 13 3.975 3.932 0.043 1
1 123 . 15 1 1 A 13 13 ALA CA C 13 55.666 54.707 0.959 1
1 124 . 15 1 1 A 13 13 ALA CB C 13 20.126 17.810 2.316 1
1 125 . 15 1 1 A 13 13 ALA N N 13 122.259 122.384 -0.125 1
1 126 . 15 1 1 A 14 14 ARG H H 14 8.600 7.458 1.142 1
1 127 . 15 1 1 A 14 14 ARG HA H 14 4.097 3.633 0.464 1
1 134 . 15 1 1 A 14 14 ARG CA C 14 60.889 58.682 2.207 1
1 135 . 15 1 1 A 14 14 ARG CB C 14 29.000 29.499 -0.499 1
1 138 . 15 1 1 A 14 14 ARG N N 14 116.993 118.048 -1.055 1
1 139 . 15 1 1 A 15 15 GLU H H 15 7.924 7.548 0.376 1
1 140 . 15 1 1 A 15 15 GLU HA H 15 4.085 3.869 0.216 1
1 145 . 15 1 1 A 15 15 GLU CA C 15 59.312 59.330 -0.018 1
1 146 . 15 1 1 A 15 15 GLU CB C 15 29.866 29.364 0.502 1
1 148 . 15 1 1 A 15 15 GLU N N 15 122.758 118.484 4.274 1
1 149 . 15 1 1 A 16 16 TRP H H 16 8.864 7.788 1.076 1
1 150 . 15 1 1 A 16 16 TRP HA H 16 4.740 4.457 0.283 1
1 158 . 15 1 1 A 16 16 TRP CA C 16 60.839 58.798 2.041 1
1 159 . 15 1 1 A 16 16 TRP CB C 16 26.693 28.098 -1.405 1
1 163 . 15 1 1 A 16 16 TRP N N 16 122.323 120.111 2.212 1
1 165 . 15 1 1 A 17 17 HIS H H 17 8.803 7.064 1.739 1
1 166 . 15 1 1 A 17 17 HIS HA H 17 3.076 4.190 -1.114 1
1 170 . 15 1 1 A 17 17 HIS CA C 17 60.683 59.948 0.735 1
1 171 . 15 1 1 A 17 17 HIS CB C 17 30.772 29.895 0.877 1
1 173 . 15 1 1 A 17 17 HIS N N 17 121.293 120.811 0.482 1
1 174 . 15 1 1 A 18 18 GLU H H 18 7.897 8.286 -0.389 1
1 175 . 15 1 1 A 18 18 GLU HA H 18 3.837 4.178 -0.341 1
1 180 . 15 1 1 A 18 18 GLU CA C 18 57.506 59.425 -1.919 1
1 181 . 15 1 1 A 18 18 GLU CB C 18 29.421 29.313 0.108 1
1 183 . 15 1 1 A 18 18 GLU N N 18 118.162 118.213 -0.051 1
1 184 . 15 1 1 A 19 19 SER H H 19 7.461 7.691 -0.230 1
1 185 . 15 1 1 A 19 19 SER HA H 19 4.150 4.603 -0.453 1
1 188 . 15 1 1 A 19 19 SER CA C 19 60.000 58.194 1.806 1
1 189 . 15 1 1 A 19 19 SER CB C 19 63.329 63.486 -0.157 1
1 190 . 15 1 1 A 19 19 SER N N 19 112.802 111.305 1.497 1
1 191 . 15 1 1 A 20 20 ASN H H 20 6.638 7.062 -0.424 1
1 192 . 15 1 1 A 20 20 ASN HA H 20 4.226 4.737 -0.511 1
1 195 . 15 1 1 A 20 20 ASN CA C 20 53.211 51.493 1.718 1
1 196 . 15 1 1 A 20 20 ASN CB C 20 37.021 38.941 -1.920 1
1 197 . 15 1 1 A 20 20 ASN N N 20 121.098 118.626 2.472 1
1 198 . 15 1 1 A 21 21 LYS H H 21 8.010 8.738 -0.728 1
1 199 . 15 1 1 A 21 21 LYS HA H 21 4.077 3.950 0.127 1
1 208 . 15 1 1 A 21 21 LYS CA C 21 56.558 59.322 -2.764 1
1 209 . 15 1 1 A 21 21 LYS CB C 21 32.435 31.920 0.515 1
1 213 . 15 1 1 A 21 21 LYS N N 21 122.666 117.063 5.603 1
1 214 . 15 1 1 A 22 22 ARG H H 22 8.007 7.222 0.785 1
1 215 . 15 1 1 A 22 22 ARG HA H 22 4.257 4.057 0.200 1
1 222 . 15 1 1 A 22 22 ARG CA C 22 56.480 54.249 2.231 1
1 223 . 15 1 1 A 22 22 ARG CB C 22 30.000 33.366 -3.366 1
1 226 . 15 1 1 A 22 22 ARG N N 22 117.459 115.213 2.246 1
1 227 . 15 1 1 A 23 23 TRP H H 23 7.211 8.397 -1.186 1
1 228 . 15 1 1 A 23 23 TRP HA H 23 4.938 4.742 0.196 1
1 237 . 15 1 1 A 23 23 TRP CA C 23 55.206 57.319 -2.113 1
1 238 . 15 1 1 A 23 23 TRP CB C 23 30.772 28.985 1.787 1
1 244 . 15 1 1 A 23 23 TRP N N 23 118.844 124.765 -5.921 1
1 246 . 15 1 1 A 24 24 SER H H 24 8.764 8.347 0.417 1
1 247 . 15 1 1 A 24 24 SER HA H 24 4.520 4.772 -0.252 1
1 250 . 15 1 1 A 24 24 SER CA C 24 57.647 57.557 0.090 1
1 251 . 15 1 1 A 24 24 SER CB C 24 64.419 62.999 1.420 1
1 252 . 15 1 1 A 24 24 SER N N 24 117.454 116.957 0.497 1
1 253 . 15 1 1 A 25 25 GLU H H 25 8.976 8.125 0.851 1
1 254 . 15 1 1 A 25 25 GLU HA H 25 4.076 4.022 0.054 1
1 259 . 15 1 1 A 25 25 GLU CA C 25 59.360 59.481 -0.121 1
1 260 . 15 1 1 A 25 25 GLU CB C 25 28.960 29.581 -0.621 1
1 262 . 15 1 1 A 25 25 GLU N N 25 122.323 122.082 0.241 1
1 263 . 15 1 1 A 26 26 ASP H H 26 8.608 8.256 0.352 1
1 264 . 15 1 1 A 26 26 ASP HA H 26 4.400 4.309 0.091 1
1 267 . 15 1 1 A 26 26 ASP CA C 26 56.327 57.392 -1.065 1
1 268 . 15 1 1 A 26 26 ASP CB C 26 40.700 40.638 0.062 1
1 269 . 15 1 1 A 26 26 ASP N N 26 118.165 119.905 -1.740 1
1 270 . 15 1 1 A 27 27 HIS H H 27 7.891 7.530 0.361 1
1 271 . 15 1 1 A 27 27 HIS HA H 27 4.247 4.395 -0.148 1
1 275 . 15 1 1 A 27 27 HIS CA C 27 58.271 59.403 -1.132 1
1 276 . 15 1 1 A 27 27 HIS CB C 27 30.483 29.929 0.554 1
1 278 . 15 1 1 A 27 27 HIS N N 27 120.183 118.555 1.628 1
1 279 . 15 1 1 A 28 28 ARG H H 28 8.676 8.217 0.459 1
1 280 . 15 1 1 A 28 28 ARG HA H 28 3.720 4.024 -0.304 1
1 287 . 15 1 1 A 28 28 ARG CA C 28 59.444 59.356 0.088 1
1 288 . 15 1 1 A 28 28 ARG CB C 28 30.315 30.019 0.296 1
1 291 . 15 1 1 A 28 28 ARG N N 28 118.156 121.442 -3.286 1
1 292 . 15 1 1 A 29 29 SER H H 29 8.359 7.849 0.510 1
1 293 . 15 1 1 A 29 29 SER HA H 29 4.295 4.167 0.128 1
1 296 . 15 1 1 A 29 29 SER CA C 29 60.916 61.401 -0.485 1
1 297 . 15 1 1 A 29 29 SER CB C 29 62.629 62.938 -0.309 1
1 298 . 15 1 1 A 29 29 SER N N 29 115.374 115.181 0.193 1
1 299 . 15 1 1 A 30 30 ARG H H 30 7.860 7.621 0.239 1
1 300 . 15 1 1 A 30 30 ARG HA H 30 3.850 4.068 -0.218 1
1 307 . 15 1 1 A 30 30 ARG CA C 30 59.162 58.813 0.349 1
1 308 . 15 1 1 A 30 30 ARG CB C 30 30.171 29.624 0.547 1
1 311 . 15 1 1 A 30 30 ARG N N 30 124.066 121.787 2.279 1
1 312 . 15 1 1 A 31 31 VAL H H 31 7.928 7.577 0.351 1
1 313 . 15 1 1 A 31 31 VAL HA H 31 4.728 3.651 1.077 1
1 321 . 15 1 1 A 31 31 VAL CA C 31 66.054 65.961 0.093 1
1 322 . 15 1 1 A 31 31 VAL CB C 31 31.961 31.280 0.681 1
1 325 . 15 1 1 A 31 31 VAL N N 31 116.760 119.977 -3.217 1
1 326 . 15 1 1 A 32 32 LEU H H 32 7.314 7.837 -0.523 1
1 327 . 15 1 1 A 32 32 LEU HA H 32 3.867 4.028 -0.161 1
1 337 . 15 1 1 A 32 32 LEU CA C 32 57.406 58.130 -0.724 1
1 338 . 15 1 1 A 32 32 LEU CB C 32 40.912 41.940 -1.028 1
1 342 . 15 1 1 A 32 32 LEU N N 32 117.541 121.590 -4.049 1
1 343 . 15 1 1 A 33 33 ARG H H 33 7.914 8.334 -0.420 1
1 344 . 15 1 1 A 33 33 ARG HA H 33 4.070 3.990 0.080 1
1 351 . 15 1 1 A 33 33 ARG CA C 33 58.815 59.803 -0.988 1
1 352 . 15 1 1 A 33 33 ARG CB C 33 29.393 29.711 -0.318 1
1 355 . 15 1 1 A 33 33 ARG N N 33 118.510 120.142 -1.632 1
1 356 . 15 1 1 A 34 34 TYR H H 34 8.211 8.001 0.210 1
1 357 . 15 1 1 A 34 34 TYR HA H 34 4.533 4.294 0.239 1
1 364 . 15 1 1 A 34 34 TYR CA C 34 59.593 61.503 -1.910 1
1 365 . 15 1 1 A 34 34 TYR CB C 34 37.021 38.403 -1.382 1
1 368 . 15 1 1 A 34 34 TYR N N 34 116.416 121.313 -4.897 1
1 369 . 15 1 1 A 35 35 LEU H H 35 7.904 8.986 -1.082 1
1 370 . 15 1 1 A 35 35 LEU HA H 35 3.670 4.023 -0.353 1
1 380 . 15 1 1 A 35 35 LEU CA C 35 57.967 58.155 -0.188 1
1 381 . 15 1 1 A 35 35 LEU CB C 35 40.740 41.502 -0.762 1
1 385 . 15 1 1 A 35 35 LEU N N 35 118.885 120.957 -2.072 1
1 386 . 15 1 1 A 36 36 GLU H H 36 8.662 8.237 0.425 1
1 387 . 15 1 1 A 36 36 GLU HA H 36 3.993 3.746 0.247 1
1 392 . 15 1 1 A 36 36 GLU CA C 36 59.749 59.380 0.369 1
1 393 . 15 1 1 A 36 36 GLU CB C 36 29.887 29.274 0.613 1
1 395 . 15 1 1 A 36 36 GLU N N 36 120.936 118.791 2.145 1
1 396 . 15 1 1 A 37 37 LEU H H 37 8.195 7.962 0.233 1
1 397 . 15 1 1 A 37 37 LEU HA H 37 3.979 4.186 -0.207 1
1 407 . 15 1 1 A 37 37 LEU CA C 37 56.947 55.582 1.365 1
1 408 . 15 1 1 A 37 37 LEU CB C 37 42.936 41.728 1.208 1
1 412 . 15 1 1 A 37 37 LEU N N 37 116.413 118.852 -2.439 1
1 413 . 15 1 1 A 38 38 TYR H H 38 7.663 7.725 -0.062 1
1 414 . 15 1 1 A 38 38 TYR HA H 38 4.951 4.689 0.262 1
1 421 . 15 1 1 A 38 38 TYR CA C 38 58.581 57.471 1.110 1
1 422 . 15 1 1 A 38 38 TYR CB C 38 41.068 38.965 2.103 1
1 425 . 15 1 1 A 38 38 TYR N N 38 110.509 117.236 -6.727 1
1 426 . 15 1 1 A 39 39 ILE H H 39 7.833 7.640 0.193 1
1 427 . 15 1 1 A 39 39 ILE HA H 39 4.642 4.415 0.227 1
1 437 . 15 1 1 A 39 39 ILE CA C 39 60.000 62.940 -2.940 1
1 438 . 15 1 1 A 39 39 ILE CB C 39 37.111 40.579 -3.468 1
1 442 . 15 1 1 A 39 39 ILE N N 39 116.068 119.837 -3.769 1
1 443 . 15 1 1 A 40 40 PHE H H 40 9.117 7.067 2.050 1
1 444 . 15 1 1 A 40 40 PHE HA H 40 4.634 4.841 -0.207 1
1 452 . 15 1 1 A 40 40 PHE CA C 40 57.492 54.529 2.963 1
1 453 . 15 1 1 A 40 40 PHE CB C 40 34.374 38.684 -4.310 1
1 457 . 15 1 1 A 40 40 PHE N N 40 121.241 116.105 5.136 1
1 458 . 15 1 1 A 41 41 PRO HA H 41 4.388 4.376 0.012 1
1 465 . 15 1 1 A 41 41 PRO CA C 41 66.132 65.925 0.207 1
1 466 . 15 1 1 A 41 41 PRO CB C 41 31.261 31.430 -0.169 1
1 469 . 15 1 1 A 42 42 HIS H H 42 7.153 7.578 -0.425 1
1 470 . 15 1 1 A 42 42 HIS HA H 42 4.678 4.362 0.316 1
1 474 . 15 1 1 A 42 42 HIS CA C 42 57.336 58.937 -1.601 1
1 475 . 15 1 1 A 42 42 HIS CB C 42 32.895 30.384 2.511 1
1 477 . 15 1 1 A 42 42 HIS N N 42 111.205 116.309 -5.104 1
1 478 . 15 1 1 A 43 43 ILE H H 43 7.327 7.907 -0.580 1
1 479 . 15 1 1 A 43 43 ILE HA H 43 4.938 4.217 0.721 1
1 489 . 15 1 1 A 43 43 ILE CA C 43 60.527 61.126 -0.599 1
1 490 . 15 1 1 A 43 43 ILE CB C 43 40.445 37.647 2.798 1
1 494 . 15 1 1 A 43 43 ILE N N 43 105.996 115.056 -9.060 1
1 495 . 15 1 1 A 44 44 GLY H H 44 8.958 8.362 0.596 1
1 496 . 15 1 1 A 44 44 GLY HA2 H 44 4.340 3.698 0.642 1
1 497 . 15 1 1 A 44 44 GLY HA3 H 44 3.855 3.833 0.022 1
1 498 . 15 1 1 A 44 44 GLY CA C 44 48.385 46.186 2.199 1
1 499 . 15 1 1 A 44 44 GLY N N 44 110.704 112.866 -2.162 1
1 500 . 15 1 1 A 45 45 SER H H 45 8.294 7.822 0.472 1
1 501 . 15 1 1 A 45 45 SER HA H 45 4.517 4.596 -0.079 1
1 504 . 15 1 1 A 45 45 SER CA C 45 58.270 58.315 -0.045 1
1 505 . 15 1 1 A 45 45 SER CB C 45 63.563 63.483 0.080 1
1 506 . 15 1 1 A 45 45 SER N N 45 110.505 114.514 -4.009 1
1 507 . 15 1 1 A 46 46 SER H H 46 7.689 7.206 0.483 1
1 508 . 15 1 1 A 46 46 SER HA H 46 4.322 4.802 -0.480 1
1 511 . 15 1 1 A 46 46 SER CA C 46 59.282 57.501 1.781 1
1 512 . 15 1 1 A 46 46 SER CB C 46 63.719 65.262 -1.543 1
1 513 . 15 1 1 A 46 46 SER N N 46 119.190 118.694 0.496 1
1 514 . 15 1 1 A 47 47 ASP H H 47 8.646 8.499 0.147 1
1 515 . 15 1 1 A 47 47 ASP HA H 47 4.446 4.522 -0.076 1
1 518 . 15 1 1 A 47 47 ASP CA C 47 54.145 53.777 0.368 1
1 519 . 15 1 1 A 47 47 ASP CB C 47 41.652 42.684 -1.032 1
1 520 . 15 1 1 A 47 47 ASP N N 47 124.868 122.971 1.897 1
1 521 . 15 1 1 A 48 48 ILE H H 48 9.406 8.339 1.067 1
1 522 . 15 1 1 A 48 48 ILE HA H 48 4.091 4.059 0.032 1
1 532 . 15 1 1 A 48 48 ILE CA C 48 63.844 63.489 0.355 1
1 533 . 15 1 1 A 48 48 ILE CB C 48 39.845 38.429 1.416 1
1 537 . 15 1 1 A 48 48 ILE N N 48 129.573 127.539 2.034 1
1 538 . 15 1 1 A 49 49 ARG H H 49 9.004 8.012 0.992 1
1 539 . 15 1 1 A 49 49 ARG HA H 49 4.166 4.219 -0.053 1
1 546 . 15 1 1 A 49 49 ARG CA C 49 57.534 58.237 -0.703 1
1 547 . 15 1 1 A 49 49 ARG CB C 49 29.870 30.207 -0.337 1
1 548 . 15 1 1 A 49 49 ARG N N 49 119.541 121.230 -1.689 1
1 549 . 15 1 1 A 50 50 GLN H H 50 7.868 7.695 0.173 1
1 550 . 15 1 1 A 50 50 GLN HA H 50 4.498 4.576 -0.078 1
1 557 . 15 1 1 A 50 50 GLN CA C 50 54.633 54.502 0.131 1
1 558 . 15 1 1 A 50 50 GLN CB C 50 29.548 28.726 0.822 1
1 560 . 15 1 1 A 50 50 GLN N N 50 114.374 118.346 -3.972 1
1 562 . 15 1 1 A 51 51 LEU H H 51 6.799 8.533 -1.734 1
1 563 . 15 1 1 A 51 51 LEU HA H 51 4.516 5.137 -0.621 1
1 573 . 15 1 1 A 51 51 LEU CA C 51 54.519 53.202 1.317 1
1 574 . 15 1 1 A 51 51 LEU CB C 51 43.014 45.248 -2.234 1
1 578 . 15 1 1 A 51 51 LEU N N 51 119.548 125.675 -6.127 1
1 579 . 15 1 1 A 52 52 LYS H H 52 10.373 8.742 1.631 1
1 580 . 15 1 1 A 52 52 LYS HA H 52 4.725 4.907 -0.182 1
1 589 . 15 1 1 A 52 52 LYS CA C 52 53.806 54.232 -0.426 1
1 590 . 15 1 1 A 52 52 LYS CB C 52 34.394 36.291 -1.897 1
1 594 . 15 1 1 A 52 52 LYS N N 52 125.943 120.273 5.670 1
1 595 . 15 1 1 A 53 53 THR H H 53 8.724 8.632 0.092 1
1 596 . 15 1 1 A 53 53 THR HA H 53 4.727 4.545 0.182 1
1 601 . 15 1 1 A 53 53 THR CA C 53 57.570 62.048 -4.478 1
1 602 . 15 1 1 A 53 53 THR CB C 53 68.467 69.539 -1.072 1
1 604 . 15 1 1 A 53 53 THR N N 53 117.533 114.692 2.841 1
1 605 . 15 1 1 A 54 54 SER H H 54 8.416 8.913 -0.497 1
1 606 . 15 1 1 A 54 54 SER HA H 54 4.743 4.266 0.477 1
1 609 . 15 1 1 A 54 54 SER CA C 54 61.306 60.807 0.499 1
1 610 . 15 1 1 A 54 54 SER CB C 54 61.132 62.766 -1.634 1
1 611 . 15 1 1 A 54 54 SER N N 54 112.941 117.602 -4.661 1
1 612 . 15 1 1 A 55 55 HIS H H 55 7.077 7.800 -0.723 1
1 613 . 15 1 1 A 55 55 HIS HA H 55 4.425 4.326 0.099 1
1 617 . 15 1 1 A 55 55 HIS CA C 55 58.659 59.089 -0.430 1
1 618 . 15 1 1 A 55 55 HIS CB C 55 33.051 29.736 3.315 1
1 620 . 15 1 1 A 55 55 HIS N N 55 120.680 119.057 1.623 1
1 621 . 15 1 1 A 56 56 LEU H H 56 7.410 8.110 -0.700 1
1 622 . 15 1 1 A 56 56 LEU HA H 56 3.916 4.103 -0.187 1
1 632 . 15 1 1 A 56 56 LEU CA C 56 56.558 57.325 -0.767 1
1 633 . 15 1 1 A 56 56 LEU CB C 56 42.547 41.539 1.008 1
1 637 . 15 1 1 A 56 56 LEU N N 56 115.029 120.542 -5.513 1
1 638 . 15 1 1 A 57 57 LEU H H 57 7.906 7.865 0.041 1
1 639 . 15 1 1 A 57 57 LEU HA H 57 4.073 4.101 -0.028 1
1 649 . 15 1 1 A 57 57 LEU CA C 57 56.047 57.434 -1.387 1
1 650 . 15 1 1 A 57 57 LEU CB C 57 42.575 41.232 1.343 1
1 654 . 15 1 1 A 57 57 LEU N N 57 113.214 119.786 -6.572 1
1 655 . 15 1 1 A 58 58 ALA H H 58 7.367 8.041 -0.674 1
1 656 . 15 1 1 A 58 58 ALA HA H 58 4.176 4.045 0.131 1
1 660 . 15 1 1 A 58 58 ALA CA C 58 57.049 57.138 -0.089 1
1 661 . 15 1 1 A 58 58 ALA CB C 58 15.362 17.323 -1.961 1
1 662 . 15 1 1 A 58 58 ALA N N 58 120.662 121.928 -1.266 1
1 663 . 15 1 1 A 59 59 PRO HA H 59 4.133 4.292 -0.159 1
1 670 . 15 1 1 A 59 59 PRO CA C 59 65.120 65.939 -0.819 1
1 671 . 15 1 1 A 59 59 PRO CB C 59 31.183 30.716 0.467 1
1 674 . 15 1 1 A 60 60 ILE H H 60 6.643 7.530 -0.887 1
1 675 . 15 1 1 A 60 60 ILE HA H 60 3.383 3.883 -0.500 1
1 685 . 15 1 1 A 60 60 ILE CA C 60 64.886 63.733 1.153 1
1 686 . 15 1 1 A 60 60 ILE CB C 60 37.799 36.972 0.827 1
1 690 . 15 1 1 A 60 60 ILE N N 60 117.809 116.160 1.649 1
1 691 . 15 1 1 A 61 61 LYS H H 61 8.635 7.981 0.654 1
1 692 . 15 1 1 A 61 61 LYS HA H 61 3.992 4.497 -0.505 1
1 701 . 15 1 1 A 61 61 LYS CA C 61 59.048 59.454 -0.406 1
1 702 . 15 1 1 A 61 61 LYS CB C 61 31.678 32.099 -0.421 1
1 706 . 15 1 1 A 61 61 LYS N N 61 120.585 121.000 -0.415 1
1 707 . 15 1 1 A 62 62 GLU H H 62 7.664 7.722 -0.058 1
1 708 . 15 1 1 A 62 62 GLU HA H 62 3.992 4.095 -0.103 1
1 713 . 15 1 1 A 62 62 GLU CA C 62 59.593 59.028 0.565 1
1 714 . 15 1 1 A 62 62 GLU CB C 62 28.975 29.620 -0.645 1
1 716 . 15 1 1 A 62 62 GLU N N 62 118.505 120.179 -1.674 1
1 717 . 15 1 1 A 63 63 VAL H H 63 7.227 8.026 -0.799 1
1 718 . 15 1 1 A 63 63 VAL HA H 63 3.545 3.613 -0.068 1
1 726 . 15 1 1 A 63 63 VAL CA C 63 65.663 66.360 -0.697 1
1 727 . 15 1 1 A 63 63 VAL CB C 63 31.650 31.849 -0.199 1
1 730 . 15 1 1 A 63 63 VAL N N 63 119.540 119.246 0.294 1
1 731 . 15 1 1 A 64 64 ASP H H 64 8.281 8.812 -0.531 1
1 732 . 15 1 1 A 64 64 ASP HA H 64 3.984 4.456 -0.472 1
1 735 . 15 1 1 A 64 64 ASP CA C 64 58.860 56.960 1.900 1
1 736 . 15 1 1 A 64 64 ASP CB C 64 42.561 39.574 2.987 1
1 737 . 15 1 1 A 64 64 ASP N N 64 122.316 119.654 2.662 1
1 738 . 15 1 1 A 65 65 THR H H 65 8.818 7.568 1.250 1
1 739 . 15 1 1 A 65 65 THR HA H 65 4.310 4.188 0.122 1
1 744 . 15 1 1 A 65 65 THR CA C 65 68.825 65.302 3.523 1
1 745 . 15 1 1 A 65 65 THR CB C 65 65.195 68.579 -3.384 1
1 747 . 15 1 1 A 65 65 THR N N 65 112.808 116.386 -3.578 1
1 748 . 15 1 1 A 66 66 SER H H 66 7.596 7.572 0.024 1
1 749 . 15 1 1 A 66 66 SER HA H 66 4.469 4.504 -0.035 1
1 752 . 15 1 1 A 66 66 SER CA C 66 59.827 58.731 1.096 1
1 753 . 15 1 1 A 66 66 SER CB C 66 63.641 63.594 0.047 1
1 754 . 15 1 1 A 66 66 SER N N 66 116.412 114.101 2.311 1
1 755 . 15 1 1 A 67 67 GLY H H 67 7.781 7.660 0.121 1
1 756 . 15 1 1 A 67 67 GLY HA2 H 67 4.467 3.969 0.498 1
1 757 . 15 1 1 A 67 67 GLY HA3 H 67 3.355 3.986 -0.631 1
1 758 . 15 1 1 A 67 67 GLY CA C 67 44.337 45.304 -0.967 1
1 759 . 15 1 1 A 67 67 GLY N N 67 108.565 108.556 0.009 1
1 760 . 15 1 1 A 68 68 LYS H H 68 6.932 7.625 -0.693 1
1 761 . 15 1 1 A 68 68 LYS HA H 68 4.706 4.448 0.258 1
1 770 . 15 1 1 A 68 68 LYS CA C 68 54.145 54.887 -0.742 1
1 771 . 15 1 1 A 68 68 LYS CB C 68 30.325 30.947 -0.622 1
1 775 . 15 1 1 A 68 68 LYS N N 68 121.979 120.340 1.639 1
1 776 . 15 1 1 A 69 69 HIS H H 69 7.630 7.517 0.113 1
1 777 . 15 1 1 A 69 69 HIS HA H 69 4.544 4.350 0.194 1
1 780 . 15 1 1 A 69 69 HIS CA C 69 58.270 58.927 -0.657 1
1 781 . 15 1 1 A 69 69 HIS CB C 69 28.303 29.094 -0.791 1
1 782 . 15 1 1 A 69 69 HIS N N 69 119.617 118.876 0.741 1
1 783 . 15 1 1 A 70 70 ASP H H 70 8.779 8.355 0.424 1
1 784 . 15 1 1 A 70 70 ASP HA H 70 4.330 4.406 -0.076 1
1 787 . 15 1 1 A 70 70 ASP CA C 70 56.869 57.426 -0.557 1
1 788 . 15 1 1 A 70 70 ASP CB C 70 39.433 40.906 -1.473 1
1 789 . 15 1 1 A 70 70 ASP N N 70 118.586 122.161 -3.575 1
1 790 . 15 1 1 A 71 71 VAL H H 71 7.575 8.001 -0.426 1
1 791 . 15 1 1 A 71 71 VAL HA H 71 3.232 3.580 -0.348 1
1 799 . 15 1 1 A 71 71 VAL CA C 71 66.131 66.434 -0.303 1
1 800 . 15 1 1 A 71 71 VAL CB C 71 31.105 31.498 -0.393 1
1 803 . 15 1 1 A 71 71 VAL N N 71 121.186 119.416 1.770 1
1 804 . 15 1 1 A 72 72 ALA H H 72 8.022 8.603 -0.581 1
1 805 . 15 1 1 A 72 72 ALA HA H 72 3.682 3.960 -0.278 1
1 809 . 15 1 1 A 72 72 ALA CA C 72 55.702 55.478 0.224 1
1 810 . 15 1 1 A 72 72 ALA CB C 72 18.028 18.313 -0.285 1
1 811 . 15 1 1 A 72 72 ALA N N 72 120.675 121.938 -1.263 1
1 812 . 15 1 1 A 73 73 GLN H H 73 7.793 8.037 -0.244 1
1 813 . 15 1 1 A 73 73 GLN HA H 73 3.971 3.973 -0.002 1
1 820 . 15 1 1 A 73 73 GLN CA C 73 58.872 59.206 -0.334 1
1 821 . 15 1 1 A 73 73 GLN CB C 73 28.073 28.340 -0.267 1
1 823 . 15 1 1 A 73 73 GLN N N 73 115.949 117.988 -2.039 1
1 825 . 15 1 1 A 74 74 ARG H H 74 7.795 7.639 0.156 1
1 826 . 15 1 1 A 74 74 ARG HA H 74 4.108 4.112 -0.004 1
1 833 . 15 1 1 A 74 74 ARG CA C 74 59.282 59.014 0.268 1
1 834 . 15 1 1 A 74 74 ARG CB C 74 29.857 29.824 0.033 1
1 837 . 15 1 1 A 74 74 ARG N N 74 119.896 119.254 0.642 1
1 838 . 15 1 1 A 75 75 LEU H H 75 8.850 8.078 0.772 1
1 839 . 15 1 1 A 75 75 LEU HA H 75 3.935 4.032 -0.097 1
1 849 . 15 1 1 A 75 75 LEU CA C 75 57.803 58.134 -0.331 1
1 850 . 15 1 1 A 75 75 LEU CB C 75 42.858 41.556 1.302 1
1 854 . 15 1 1 A 75 75 LEU N N 75 118.044 119.994 -1.950 1
1 855 . 15 1 1 A 76 76 GLN H H 76 8.412 7.920 0.492 1
1 856 . 15 1 1 A 76 76 GLN HA H 76 3.790 4.023 -0.233 1
1 861 . 15 1 1 A 76 76 GLN CA C 76 60.294 59.299 0.995 1
1 862 . 15 1 1 A 76 76 GLN CB C 76 27.995 28.421 -0.426 1
1 864 . 15 1 1 A 76 76 GLN N N 76 119.109 118.985 0.124 1
1 865 . 15 1 1 A 77 77 GLN H H 77 7.788 7.532 0.256 1
1 866 . 15 1 1 A 77 77 GLN HA H 77 4.090 4.084 0.006 1
1 873 . 15 1 1 A 77 77 GLN CA C 77 59.318 58.565 0.753 1
1 874 . 15 1 1 A 77 77 GLN CB C 77 28.054 28.331 -0.277 1
1 876 . 15 1 1 A 77 77 GLN N N 77 119.616 119.085 0.531 1
1 878 . 15 1 1 A 78 78 ARG H H 78 8.552 7.653 0.899 1
1 879 . 15 1 1 A 78 78 ARG HA H 78 4.171 3.883 0.288 1
1 886 . 15 1 1 A 78 78 ARG CA C 78 57.946 58.822 -0.876 1
1 887 . 15 1 1 A 78 78 ARG CB C 78 28.958 30.558 -1.600 1
1 890 . 15 1 1 A 78 78 ARG N N 78 118.044 119.778 -1.734 1
1 891 . 15 1 1 A 79 79 VAL H H 79 8.958 8.370 0.588 1
1 892 . 15 1 1 A 79 79 VAL HA H 79 3.603 3.978 -0.375 1
1 900 . 15 1 1 A 79 79 VAL CA C 79 67.284 65.203 2.081 1
1 901 . 15 1 1 A 79 79 VAL CB C 79 31.228 31.537 -0.309 1
1 904 . 15 1 1 A 79 79 VAL N N 79 116.998 120.136 -3.138 1
1 905 . 15 1 1 A 80 80 THR H H 80 7.938 7.698 0.240 1
1 906 . 15 1 1 A 80 80 THR HA H 80 4.301 3.909 0.392 1
1 911 . 15 1 1 A 80 80 THR CA C 80 67.976 65.363 2.613 1
1 912 . 15 1 1 A 80 80 THR CB C 80 67.466 68.884 -1.418 1
1 914 . 15 1 1 A 80 80 THR N N 80 115.701 115.735 -0.034 1
1 915 . 15 1 1 A 81 81 ALA H H 81 7.656 7.943 -0.287 1
1 916 . 15 1 1 A 81 81 ALA HA H 81 4.070 4.003 0.067 1
1 920 . 15 1 1 A 81 81 ALA CA C 81 55.232 55.038 0.194 1
1 921 . 15 1 1 A 81 81 ALA CB C 81 18.087 17.822 0.265 1
1 922 . 15 1 1 A 81 81 ALA N N 81 124.407 123.084 1.323 1
1 923 . 15 1 1 A 82 82 ILE H H 82 7.901 7.599 0.302 1
1 924 . 15 1 1 A 82 82 ILE HA H 82 2.733 3.793 -1.060 1
1 934 . 15 1 1 A 82 82 ILE CA C 82 65.450 65.235 0.215 1
1 935 . 15 1 1 A 82 82 ILE CB C 82 37.569 38.007 -0.438 1
1 939 . 15 1 1 A 82 82 ILE N N 82 121.196 119.627 1.569 1
1 940 . 15 1 1 A 83 83 MET H H 83 8.258 8.432 -0.174 1
1 941 . 15 1 1 A 83 83 MET HA H 83 4.556 4.147 0.409 1
1 949 . 15 1 1 A 83 83 MET CA C 83 56.403 59.046 -2.643 1
1 950 . 15 1 1 A 83 83 MET CB C 83 29.782 32.660 -2.878 1
1 953 . 15 1 1 A 83 83 MET N N 83 120.154 118.700 1.454 1
1 954 . 15 1 1 A 84 84 ARG H H 84 7.915 8.191 -0.276 1
1 955 . 15 1 1 A 84 84 ARG HA H 84 4.039 3.874 0.165 1
1 962 . 15 1 1 A 84 84 ARG CA C 84 59.749 59.173 0.576 1
1 963 . 15 1 1 A 84 84 ARG CB C 84 30.000 29.625 0.375 1
1 966 . 15 1 1 A 84 84 ARG N N 84 116.534 120.063 -3.529 1
1 967 . 15 1 1 A 85 85 TYR H H 85 8.221 7.917 0.304 1
1 968 . 15 1 1 A 85 85 TYR HA H 85 4.255 4.248 0.007 1
1 975 . 15 1 1 A 85 85 TYR CA C 85 61.382 61.124 0.258 1
1 976 . 15 1 1 A 85 85 TYR CB C 85 38.499 37.307 1.192 1
1 979 . 15 1 1 A 85 85 TYR N N 85 122.313 119.230 3.083 1
1 980 . 15 1 1 A 86 86 ALA H H 86 8.804 8.125 0.679 1
1 981 . 15 1 1 A 86 86 ALA HA H 86 4.223 4.141 0.082 1
1 985 . 15 1 1 A 86 86 ALA CA C 86 55.043 55.147 -0.104 1
1 986 . 15 1 1 A 86 86 ALA CB C 86 18.087 18.604 -0.517 1
1 987 . 15 1 1 A 86 86 ALA N N 86 123.291 123.051 0.240 1
1 988 . 15 1 1 A 87 87 VAL H H 87 8.113 8.114 -0.001 1
1 989 . 15 1 1 A 87 87 VAL HA H 87 4.170 3.449 0.721 1
1 997 . 15 1 1 A 87 87 VAL CA C 87 65.146 66.982 -1.836 1
1 998 . 15 1 1 A 87 87 VAL CB C 87 31.897 31.491 0.406 1
1 1001 . 15 1 1 A 87 87 VAL N N 87 120.144 118.333 1.811 1
1 1002 . 15 1 1 A 88 88 GLN H H 88 8.458 7.833 0.625 1
1 1003 . 15 1 1 A 88 88 GLN HA H 88 3.983 4.031 -0.048 1
1 1010 . 15 1 1 A 88 88 GLN CA C 88 58.270 58.799 -0.529 1
1 1011 . 15 1 1 A 88 88 GLN CB C 88 28.075 28.421 -0.346 1
1 1013 . 15 1 1 A 88 88 GLN N N 88 120.751 119.417 1.334 1
1 1015 . 15 1 1 A 89 89 ASN H H 89 7.359 8.021 -0.662 1
1 1016 . 15 1 1 A 89 89 ASN HA H 89 4.486 4.922 -0.436 1
1 1021 . 15 1 1 A 89 89 ASN CA C 89 53.444 52.879 0.565 1
1 1022 . 15 1 1 A 89 89 ASN CB C 89 38.932 38.680 0.252 1
1 1023 . 15 1 1 A 89 89 ASN N N 89 113.850 115.043 -1.193 1
1 1025 . 15 1 1 A 90 90 ASP H H 90 7.849 8.367 -0.518 1
1 1026 . 15 1 1 A 90 90 ASP HA H 90 4.387 4.447 -0.060 1
1 1029 . 15 1 1 A 90 90 ASP CA C 90 55.935 55.394 0.541 1
1 1030 . 15 1 1 A 90 90 ASP CB C 90 38.811 38.718 0.093 1
1 1031 . 15 1 1 A 90 90 ASP N N 90 113.293 116.497 -3.204 1
1 1032 . 15 1 1 A 91 91 TYR H H 91 8.489 8.109 0.380 1
1 1033 . 15 1 1 A 91 91 TYR HA H 91 4.589 4.320 0.269 1
1 1040 . 15 1 1 A 91 91 TYR CA C 91 60.000 61.248 -1.248 1
1 1041 . 15 1 1 A 91 91 TYR CB C 91 38.811 39.108 -0.297 1
1 1044 . 15 1 1 A 91 91 TYR N N 91 116.072 118.791 -2.719 1
1 1045 . 15 1 1 A 92 92 ILE H H 92 7.131 7.807 -0.676 1
1 1046 . 15 1 1 A 92 92 ILE HA H 92 4.684 4.129 0.555 1
1 1056 . 15 1 1 A 92 92 ILE CA C 92 59.126 62.171 -3.045 1
1 1057 . 15 1 1 A 92 92 ILE CB C 92 41.846 38.090 3.756 1
1 1061 . 15 1 1 A 92 92 ILE N N 92 107.409 117.985 -10.576 1
1 1062 . 15 1 1 A 93 93 ASP H H 93 8.731 7.629 1.102 1
1 1063 . 15 1 1 A 93 93 ASP HA H 93 4.707 4.776 -0.069 1
1 1066 . 15 1 1 A 93 93 ASP CA C 93 54.689 55.589 -0.900 1
1 1067 . 15 1 1 A 93 93 ASP CB C 93 41.924 42.152 -0.228 1
1 1068 . 15 1 1 A 93 93 ASP N N 93 118.847 121.070 -2.223 1
1 1069 . 15 1 1 A 94 94 SER H H 94 7.638 8.173 -0.535 1
1 1070 . 15 1 1 A 94 94 SER HA H 94 4.491 4.781 -0.290 1
1 1073 . 15 1 1 A 94 94 SER CA C 94 57.102 57.170 -0.068 1
1 1074 . 15 1 1 A 94 94 SER CB C 94 64.186 65.617 -1.431 1
1 1075 . 15 1 1 A 94 94 SER N N 94 112.240 110.958 1.282 1
1 1076 . 15 1 1 A 95 95 ASN H H 95 8.801 8.731 0.070 1
1 1077 . 15 1 1 A 95 95 ASN HA H 95 4.942 5.388 -0.446 1
1 1082 . 15 1 1 A 95 95 ASN CA C 95 49.941 49.729 0.212 1
1 1083 . 15 1 1 A 95 95 ASN CB C 95 39.356 39.828 -0.472 1
1 1084 . 15 1 1 A 95 95 ASN N N 95 119.551 119.717 -0.166 1
1 1086 . 15 1 1 A 96 96 PRO HA H 96 4.632 4.608 0.024 1
1 1093 . 15 1 1 A 96 96 PRO CA C 96 63.564 62.687 0.877 1
1 1094 . 15 1 1 A 96 96 PRO CB C 96 32.058 32.662 -0.604 1
1 1097 . 15 1 1 A 97 97 ALA H H 97 8.335 8.626 -0.291 1
1 1098 . 15 1 1 A 97 97 ALA HA H 97 4.436 3.991 0.445 1
1 1102 . 15 1 1 A 97 97 ALA CA C 97 52.055 54.024 -1.969 1
1 1103 . 15 1 1 A 97 97 ALA CB C 97 18.998 18.335 0.663 1
1 1104 . 15 1 1 A 97 97 ALA N N 97 121.226 119.879 1.347 1
1 1105 . 15 1 1 A 98 98 SER H H 98 7.600 8.276 -0.676 1
1 1106 . 15 1 1 A 98 98 SER HA H 98 4.168 4.233 -0.065 1
1 1109 . 15 1 1 A 98 98 SER CA C 98 60.372 61.563 -1.191 1
1 1110 . 15 1 1 A 98 98 SER CB C 98 63.018 62.915 0.103 1
1 1111 . 15 1 1 A 98 98 SER N N 98 114.935 110.953 3.982 1
1 1112 . 15 1 1 A 99 99 ASP H H 99 8.098 7.744 0.354 1
1 1113 . 15 1 1 A 99 99 ASP HA H 99 4.760 4.678 0.082 1
1 1116 . 15 1 1 A 99 99 ASP CA C 99 54.300 53.698 0.602 1
1 1117 . 15 1 1 A 99 99 ASP CB C 99 40.835 40.911 -0.076 1
1 1118 . 15 1 1 A 99 99 ASP N N 99 119.889 121.065 -1.176 1
1 1119 . 15 1 1 A 100 100 MET H H 100 7.885 7.620 0.265 1
1 1120 . 15 1 1 A 100 100 MET HA H 100 4.205 4.695 -0.490 1
1 1128 . 15 1 1 A 100 100 MET CA C 100 57.025 54.875 2.150 1
1 1129 . 15 1 1 A 100 100 MET CB C 100 33.038 31.827 1.211 1
1 1132 . 15 1 1 A 100 100 MET N N 100 119.185 120.025 -0.840 1
1 1133 . 15 1 1 A 101 101 ALA H H 101 8.041 8.389 -0.348 1
1 1134 . 15 1 1 A 101 101 ALA HA H 101 4.137 5.152 -1.015 1
1 1138 . 15 1 1 A 101 101 ALA CA C 101 53.655 50.433 3.222 1
1 1139 . 15 1 1 A 101 101 ALA CB C 101 18.537 21.922 -3.385 1
1 1140 . 15 1 1 A 101 101 ALA N N 101 122.264 128.065 -5.801 1
1 1141 . 15 1 1 A 102 102 GLY H H 102 8.293 9.068 -0.775 1
1 1142 . 15 1 1 A 102 102 GLY HA2 H 102 3.910 4.063 -0.153 1
1 1143 . 15 1 1 A 102 102 GLY HA3 H 102 3.913 4.070 -0.157 1
1 1144 . 15 1 1 A 102 102 GLY CA C 102 45.664 45.489 0.175 1
1 1145 . 15 1 1 A 102 102 GLY N N 102 107.557 111.732 -4.175 1
1 1146 . 15 1 1 A 103 103 ALA H H 103 7.955 8.609 -0.654 1
1 1147 . 15 1 1 A 103 103 ALA HA H 103 4.235 4.491 -0.256 1
1 1151 . 15 1 1 A 103 103 ALA CA C 103 53.423 50.998 2.425 1
1 1152 . 15 1 1 A 103 103 ALA CB C 103 19.219 18.462 0.757 1
1 1153 . 15 1 1 A 103 103 ALA N N 103 123.285 126.704 -3.419 1
1 1154 . 15 1 1 A 104 104 LEU H H 104 8.145 8.214 -0.069 1
1 1155 . 15 1 1 A 104 104 LEU HA H 104 4.301 4.000 0.301 1
1 1165 . 15 1 1 A 104 104 LEU CA C 104 55.312 57.846 -2.534 1
1 1166 . 15 1 1 A 104 104 LEU CB C 104 41.644 41.783 -0.139 1
1 1170 . 15 1 1 A 104 104 LEU N N 104 118.570 125.416 -6.846 1
1 1171 . 15 1 1 A 105 105 SER H H 105 8.040 7.946 0.094 1
1 1172 . 15 1 1 A 105 105 SER HA H 105 4.390 4.730 -0.340 1
1 1175 . 15 1 1 A 105 105 SER CA C 105 58.893 57.209 1.684 1
1 1176 . 15 1 1 A 105 105 SER CB C 105 63.424 63.989 -0.565 1
1 1177 . 15 1 1 A 105 105 SER N N 105 115.022 110.966 4.056 1
1 1178 . 15 1 1 A 106 106 THR H H 106 8.032 7.573 0.459 1
1 1179 . 15 1 1 A 106 106 THR HA H 106 4.293 4.182 0.111 1
1 1184 . 15 1 1 A 106 106 THR CA C 106 62.037 63.097 -1.060 1
1 1185 . 15 1 1 A 106 106 THR CB C 106 69.401 68.369 1.032 1
1 1187 . 15 1 1 A 106 106 THR N N 106 115.371 116.313 -0.942 1
1 1188 . 15 1 1 A 107 107 THR H H 107 7.940 8.272 -0.332 1
1 1189 . 15 1 1 A 107 107 THR HA H 107 4.296 5.264 -0.968 1
1 1194 . 15 1 1 A 107 107 THR CA C 107 61.539 59.484 2.055 1
1 1195 . 15 1 1 A 107 107 THR CB C 107 61.610 71.626 -10.016 1
1 1197 . 15 1 1 A 107 107 THR N N 107 122.759 117.639 5.120 1
1 1198 . 15 1 1 A 108 108 LYS H H 108 8.240 8.561 -0.321 1
1 1199 . 15 1 1 A 108 108 LYS HA H 108 4.241 4.810 -0.569 1
1 1208 . 15 1 1 A 108 108 LYS CA C 108 56.324 54.463 1.861 1
1 1209 . 15 1 1 A 108 108 LYS CB C 108 32.817 35.779 -2.962 1
1 1213 . 15 1 1 A 108 108 LYS N N 108 124.773 120.655 4.118 1
1 1214 . 15 1 1 A 109 109 ALA H H 109 8.131 8.458 -0.327 1
1 1215 . 15 1 1 A 109 109 ALA HA H 109 4.224 4.734 -0.510 1
1 1219 . 15 1 1 A 109 109 ALA CA C 109 52.432 51.361 1.071 1
1 1220 . 15 1 1 A 109 109 ALA CB C 109 19.017 20.476 -1.459 1
1 1221 . 15 1 1 A 109 109 ALA N N 109 124.331 121.672 2.659 1
1 1222 . 15 1 1 A 110 110 ARG H H 110 8.114 7.520 0.594 1
1 1223 . 15 1 1 A 110 110 ARG HA H 110 4.191 4.966 -0.775 1
1 1230 . 15 1 1 A 110 110 ARG CA C 110 56.013 54.625 1.388 1
1 1231 . 15 1 1 A 110 110 ARG CB C 110 30.871 31.961 -1.090 1
1 1234 . 15 1 1 A 110 110 ARG N N 110 119.544 120.162 -0.618 1
1 1235 . 15 1 1 A 111 111 HIS H H 111 8.283 8.960 -0.677 1
1 1236 . 15 1 1 A 111 111 HIS HA H 111 4.604 5.245 -0.641 1
1 1240 . 15 1 1 A 111 111 HIS CA C 111 55.448 53.431 2.017 1
1 1241 . 15 1 1 A 111 111 HIS CB C 111 29.866 30.791 -0.925 1
1 1243 . 15 1 1 A 111 111 HIS N N 111 119.886 127.566 -7.680 1
1 1244 . 15 1 1 A 112 112 TYR H H 112 8.179 8.500 -0.321 1
1 1245 . 15 1 1 A 112 112 TYR HA H 112 4.766 4.863 -0.097 1
1 1252 . 15 1 1 A 112 112 TYR CA C 112 55.701 57.337 -1.636 1
1 1253 . 15 1 1 A 112 112 TYR CB C 112 38.110 40.326 -2.216 1
1 1256 . 15 1 1 A 112 112 TYR N N 112 122.673 128.052 -5.379 1
1 1257 . 15 1 1 A 113 113 PRO HA H 113 4.399 4.659 -0.260 1
1 1264 . 15 1 1 A 113 113 PRO CA C 113 63.097 62.002 1.095 1
1 1265 . 15 1 1 A 113 113 PRO CB C 113 31.684 33.181 -1.497 1
1 1268 . 15 1 1 A 114 114 LEU H H 114 8.225 8.851 -0.626 1
1 1269 . 15 1 1 A 114 114 LEU HA H 114 4.265 4.277 -0.012 1
1 1279 . 15 1 1 A 114 114 LEU CA C 114 55.069 56.444 -1.375 1
1 1280 . 15 1 1 A 114 114 LEU CB C 114 42.104 42.890 -0.786 1
1 1284 . 15 1 1 A 114 114 LEU N N 114 121.625 122.470 -0.845 1
1 1285 . 15 1 1 A 115 115 GLU H H 115 8.273 8.127 0.146 1
1 1286 . 15 1 1 A 115 115 GLU HA H 115 4.202 4.024 0.178 1
1 1291 . 15 1 1 A 115 115 GLU CA C 115 56.402 57.321 -0.919 1
1 1292 . 15 1 1 A 115 115 GLU CB C 115 30.249 28.197 2.052 1
1 5 . 16 1 1 A 2 2 GLU HA H 2 4.399 3.876 0.523 1
1 10 . 16 1 1 A 2 2 GLU CA C 2 56.358 57.793 -1.435 1
1 11 . 16 1 1 A 2 2 GLU CB C 2 30.249 27.458 2.791 1
1 13 . 16 1 1 A 3 3 ASN H H 3 8.699 8.201 0.498 1
1 14 . 16 1 1 A 3 3 ASN HA H 3 4.753 4.920 -0.167 1
1 19 . 16 1 1 A 3 3 ASN CA C 3 53.211 52.490 0.721 1
1 20 . 16 1 1 A 3 3 ASN CB C 3 38.733 36.548 2.185 1
1 21 . 16 1 1 A 3 3 ASN N N 3 120.234 118.026 2.208 1
1 23 . 16 1 1 A 4 4 SER H H 4 8.428 8.562 -0.134 1
1 24 . 16 1 1 A 4 4 SER HA H 4 4.395 4.696 -0.301 1
1 27 . 16 1 1 A 4 4 SER CA C 4 59.048 57.659 1.389 1
1 28 . 16 1 1 A 4 4 SER CB C 4 63.485 64.009 -0.524 1
1 29 . 16 1 1 A 4 4 SER N N 4 116.413 118.768 -2.355 1
1 30 . 16 1 1 A 5 5 GLY H H 5 8.525 7.930 0.595 1
1 31 . 16 1 1 A 5 5 GLY HA2 H 5 3.970 4.019 -0.049 1
1 32 . 16 1 1 A 5 5 GLY HA3 H 5 3.969 4.024 -0.055 1
1 33 . 16 1 1 A 5 5 GLY CA C 5 45.717 45.692 0.025 1
1 34 . 16 1 1 A 5 5 GLY N N 5 111.196 108.596 2.600 1
1 35 . 16 1 1 A 6 6 ALA H H 6 7.941 8.458 -0.517 1
1 36 . 16 1 1 A 6 6 ALA HA H 6 4.206 3.725 0.481 1
1 40 . 16 1 1 A 6 6 ALA CA C 6 52.988 52.568 0.420 1
1 41 . 16 1 1 A 6 6 ALA CB C 6 19.429 16.973 2.456 1
1 42 . 16 1 1 A 6 6 ALA N N 6 123.277 125.134 -1.857 1
1 43 . 16 1 1 A 7 7 TYR H H 7 8.351 7.477 0.874 1
1 44 . 16 1 1 A 7 7 TYR HA H 7 4.509 4.422 0.087 1
1 51 . 16 1 1 A 7 7 TYR CA C 7 57.528 57.745 -0.217 1
1 52 . 16 1 1 A 7 7 TYR CB C 7 39.356 38.579 0.777 1
1 55 . 16 1 1 A 7 7 TYR N N 7 114.900 114.922 -0.022 1
1 56 . 16 1 1 A 8 8 THR H H 8 7.735 7.313 0.422 1
1 57 . 16 1 1 A 8 8 THR HA H 8 4.922 4.449 0.473 1
1 62 . 16 1 1 A 8 8 THR CA C 8 60.827 62.182 -1.355 1
1 63 . 16 1 1 A 8 8 THR CB C 8 70.109 69.555 0.554 1
1 65 . 16 1 1 A 8 8 THR N N 8 110.856 117.032 -6.176 1
1 66 . 16 1 1 A 9 9 PHE H H 9 8.816 9.271 -0.455 1
1 67 . 16 1 1 A 9 9 PHE HA H 9 3.825 4.061 -0.236 1
1 75 . 16 1 1 A 9 9 PHE CA C 9 62.935 62.703 0.232 1
1 76 . 16 1 1 A 9 9 PHE CB C 9 39.373 39.588 -0.215 1
1 80 . 16 1 1 A 9 9 PHE N N 9 121.282 124.531 -3.249 1
1 81 . 16 1 1 A 10 10 GLU H H 10 9.741 8.386 1.355 1
1 82 . 16 1 1 A 10 10 GLU HA H 10 3.295 4.092 -0.797 1
1 87 . 16 1 1 A 10 10 GLU CA C 10 59.586 59.171 0.415 1
1 88 . 16 1 1 A 10 10 GLU CB C 10 28.453 29.299 -0.846 1
1 90 . 16 1 1 A 10 10 GLU N N 10 117.454 119.281 -1.827 1
1 91 . 16 1 1 A 11 11 THR H H 11 7.542 8.056 -0.514 1
1 92 . 16 1 1 A 11 11 THR HA H 11 3.667 3.847 -0.180 1
1 97 . 16 1 1 A 11 11 THR CA C 11 66.550 67.203 -0.653 1
1 98 . 16 1 1 A 11 11 THR CB C 11 66.557 68.554 -1.997 1
1 100 . 16 1 1 A 11 11 THR N N 11 115.970 116.782 -0.812 1
1 101 . 16 1 1 A 12 12 ILE H H 12 7.724 8.013 -0.289 1
1 102 . 16 1 1 A 12 12 ILE HA H 12 3.561 3.821 -0.260 1
1 112 . 16 1 1 A 12 12 ILE CA C 12 63.395 64.266 -0.871 1
1 113 . 16 1 1 A 12 12 ILE CB C 12 36.233 36.427 -0.194 1
1 117 . 16 1 1 A 12 12 ILE N N 12 122.235 121.090 1.145 1
1 118 . 16 1 1 A 13 13 ALA H H 13 9.099 7.400 1.699 1
1 119 . 16 1 1 A 13 13 ALA HA H 13 3.975 3.931 0.044 1
1 123 . 16 1 1 A 13 13 ALA CA C 13 55.666 54.741 0.925 1
1 124 . 16 1 1 A 13 13 ALA CB C 13 20.126 17.789 2.337 1
1 125 . 16 1 1 A 13 13 ALA N N 13 122.259 122.679 -0.420 1
1 126 . 16 1 1 A 14 14 ARG H H 14 8.600 8.232 0.368 1
1 127 . 16 1 1 A 14 14 ARG HA H 14 4.097 3.649 0.448 1
1 134 . 16 1 1 A 14 14 ARG CA C 14 60.889 58.693 2.196 1
1 135 . 16 1 1 A 14 14 ARG CB C 14 29.000 29.530 -0.530 1
1 138 . 16 1 1 A 14 14 ARG N N 14 116.993 119.110 -2.117 1
1 139 . 16 1 1 A 15 15 GLU H H 15 7.924 7.671 0.253 1
1 140 . 16 1 1 A 15 15 GLU HA H 15 4.085 3.871 0.214 1
1 145 . 16 1 1 A 15 15 GLU CA C 15 59.312 59.301 0.011 1
1 146 . 16 1 1 A 15 15 GLU CB C 15 29.866 29.392 0.474 1
1 148 . 16 1 1 A 15 15 GLU N N 15 122.758 118.072 4.686 1
1 149 . 16 1 1 A 16 16 TRP H H 16 8.864 7.859 1.005 1
1 150 . 16 1 1 A 16 16 TRP HA H 16 4.740 4.515 0.225 1
1 158 . 16 1 1 A 16 16 TRP CA C 16 60.839 59.187 1.652 1
1 159 . 16 1 1 A 16 16 TRP CB C 16 26.693 28.162 -1.469 1
1 163 . 16 1 1 A 16 16 TRP N N 16 122.323 120.157 2.166 1
1 165 . 16 1 1 A 17 17 HIS H H 17 8.803 7.499 1.304 1
1 166 . 16 1 1 A 17 17 HIS HA H 17 3.076 4.014 -0.938 1
1 170 . 16 1 1 A 17 17 HIS CA C 17 60.683 59.641 1.042 1
1 171 . 16 1 1 A 17 17 HIS CB C 17 30.772 29.203 1.569 1
1 173 . 16 1 1 A 17 17 HIS N N 17 121.293 120.766 0.527 1
1 174 . 16 1 1 A 18 18 GLU H H 18 7.897 8.757 -0.860 1
1 175 . 16 1 1 A 18 18 GLU HA H 18 3.837 4.087 -0.250 1
1 180 . 16 1 1 A 18 18 GLU CA C 18 57.506 59.221 -1.715 1
1 181 . 16 1 1 A 18 18 GLU CB C 18 29.421 29.424 -0.003 1
1 183 . 16 1 1 A 18 18 GLU N N 18 118.162 117.979 0.183 1
1 184 . 16 1 1 A 19 19 SER H H 19 7.461 7.883 -0.422 1
1 185 . 16 1 1 A 19 19 SER HA H 19 4.150 4.942 -0.792 1
1 188 . 16 1 1 A 19 19 SER CA C 19 60.000 58.035 1.965 1
1 189 . 16 1 1 A 19 19 SER CB C 19 63.329 64.056 -0.727 1
1 190 . 16 1 1 A 19 19 SER N N 19 112.802 113.195 -0.393 1
1 191 . 16 1 1 A 20 20 ASN H H 20 6.638 8.198 -1.560 1
1 192 . 16 1 1 A 20 20 ASN HA H 20 4.226 4.665 -0.439 1
1 195 . 16 1 1 A 20 20 ASN CA C 20 53.211 56.584 -3.373 1
1 196 . 16 1 1 A 20 20 ASN CB C 20 37.021 39.314 -2.293 1
1 197 . 16 1 1 A 20 20 ASN N N 20 121.098 121.356 -0.258 1
1 198 . 16 1 1 A 21 21 LYS H H 21 8.010 7.736 0.274 1
1 199 . 16 1 1 A 21 21 LYS HA H 21 4.077 4.570 -0.493 1
1 208 . 16 1 1 A 21 21 LYS CA C 21 56.558 56.864 -0.306 1
1 209 . 16 1 1 A 21 21 LYS CB C 21 32.435 33.990 -1.555 1
1 213 . 16 1 1 A 21 21 LYS N N 21 122.666 113.004 9.662 1
1 214 . 16 1 1 A 22 22 ARG H H 22 8.007 7.667 0.340 1
1 215 . 16 1 1 A 22 22 ARG HA H 22 4.257 4.640 -0.383 1
1 222 . 16 1 1 A 22 22 ARG CA C 22 56.480 55.458 1.022 1
1 223 . 16 1 1 A 22 22 ARG CB C 22 30.000 33.806 -3.806 1
1 226 . 16 1 1 A 22 22 ARG N N 22 117.459 118.483 -1.024 1
1 227 . 16 1 1 A 23 23 TRP H H 23 7.211 8.395 -1.184 1
1 228 . 16 1 1 A 23 23 TRP HA H 23 4.938 4.811 0.127 1
1 237 . 16 1 1 A 23 23 TRP CA C 23 55.206 57.113 -1.907 1
1 238 . 16 1 1 A 23 23 TRP CB C 23 30.772 30.461 0.311 1
1 244 . 16 1 1 A 23 23 TRP N N 23 118.844 125.082 -6.238 1
1 246 . 16 1 1 A 24 24 SER H H 24 8.764 8.846 -0.082 1
1 247 . 16 1 1 A 24 24 SER HA H 24 4.520 4.899 -0.379 1
1 250 . 16 1 1 A 24 24 SER CA C 24 57.647 57.609 0.038 1
1 251 . 16 1 1 A 24 24 SER CB C 24 64.419 63.715 0.704 1
1 252 . 16 1 1 A 24 24 SER N N 24 117.454 117.794 -0.340 1
1 253 . 16 1 1 A 25 25 GLU H H 25 8.976 8.445 0.531 1
1 254 . 16 1 1 A 25 25 GLU HA H 25 4.076 4.033 0.043 1
1 259 . 16 1 1 A 25 25 GLU CA C 25 59.360 59.095 0.265 1
1 260 . 16 1 1 A 25 25 GLU CB C 25 28.960 29.352 -0.392 1
1 262 . 16 1 1 A 25 25 GLU N N 25 122.323 123.747 -1.424 1
1 263 . 16 1 1 A 26 26 ASP H H 26 8.608 8.260 0.348 1
1 264 . 16 1 1 A 26 26 ASP HA H 26 4.400 4.240 0.160 1
1 267 . 16 1 1 A 26 26 ASP CA C 26 56.327 57.373 -1.046 1
1 268 . 16 1 1 A 26 26 ASP CB C 26 40.700 40.626 0.074 1
1 269 . 16 1 1 A 26 26 ASP N N 26 118.165 119.985 -1.820 1
1 270 . 16 1 1 A 27 27 HIS H H 27 7.891 8.195 -0.304 1
1 271 . 16 1 1 A 27 27 HIS HA H 27 4.247 4.300 -0.053 1
1 275 . 16 1 1 A 27 27 HIS CA C 27 58.271 58.965 -0.694 1
1 276 . 16 1 1 A 27 27 HIS CB C 27 30.483 28.733 1.750 1
1 278 . 16 1 1 A 27 27 HIS N N 27 120.183 116.257 3.926 1
1 279 . 16 1 1 A 28 28 ARG H H 28 8.676 8.139 0.537 1
1 280 . 16 1 1 A 28 28 ARG HA H 28 3.720 3.813 -0.093 1
1 287 . 16 1 1 A 28 28 ARG CA C 28 59.444 58.512 0.932 1
1 288 . 16 1 1 A 28 28 ARG CB C 28 30.315 30.199 0.116 1
1 291 . 16 1 1 A 28 28 ARG N N 28 118.156 120.744 -2.588 1
1 292 . 16 1 1 A 29 29 SER H H 29 8.359 7.426 0.933 1
1 293 . 16 1 1 A 29 29 SER HA H 29 4.295 4.252 0.043 1
1 296 . 16 1 1 A 29 29 SER CA C 29 60.916 61.225 -0.309 1
1 297 . 16 1 1 A 29 29 SER CB C 29 62.629 63.099 -0.470 1
1 298 . 16 1 1 A 29 29 SER N N 29 115.374 115.159 0.215 1
1 299 . 16 1 1 A 30 30 ARG H H 30 7.860 7.718 0.142 1
1 300 . 16 1 1 A 30 30 ARG HA H 30 3.850 4.225 -0.375 1
1 307 . 16 1 1 A 30 30 ARG CA C 30 59.162 58.364 0.798 1
1 308 . 16 1 1 A 30 30 ARG CB C 30 30.171 29.909 0.262 1
1 311 . 16 1 1 A 30 30 ARG N N 30 124.066 121.275 2.791 1
1 312 . 16 1 1 A 31 31 VAL H H 31 7.928 8.360 -0.432 1
1 313 . 16 1 1 A 31 31 VAL HA H 31 4.728 3.804 0.924 1
1 321 . 16 1 1 A 31 31 VAL CA C 31 66.054 65.673 0.381 1
1 322 . 16 1 1 A 31 31 VAL CB C 31 31.961 31.443 0.518 1
1 325 . 16 1 1 A 31 31 VAL N N 31 116.760 119.710 -2.950 1
1 326 . 16 1 1 A 32 32 LEU H H 32 7.314 7.409 -0.095 1
1 327 . 16 1 1 A 32 32 LEU HA H 32 3.867 3.955 -0.088 1
1 337 . 16 1 1 A 32 32 LEU CA C 32 57.406 57.974 -0.568 1
1 338 . 16 1 1 A 32 32 LEU CB C 32 40.912 41.653 -0.741 1
1 342 . 16 1 1 A 32 32 LEU N N 32 117.541 120.740 -3.199 1
1 343 . 16 1 1 A 33 33 ARG H H 33 7.914 8.397 -0.483 1
1 344 . 16 1 1 A 33 33 ARG HA H 33 4.070 4.105 -0.035 1
1 351 . 16 1 1 A 33 33 ARG CA C 33 58.815 58.569 0.246 1
1 352 . 16 1 1 A 33 33 ARG CB C 33 29.393 30.255 -0.862 1
1 355 . 16 1 1 A 33 33 ARG N N 33 118.510 118.109 0.401 1
1 356 . 16 1 1 A 34 34 TYR H H 34 8.211 8.524 -0.313 1
1 357 . 16 1 1 A 34 34 TYR HA H 34 4.533 4.233 0.300 1
1 364 . 16 1 1 A 34 34 TYR CA C 34 59.593 61.438 -1.845 1
1 365 . 16 1 1 A 34 34 TYR CB C 34 37.021 38.432 -1.411 1
1 368 . 16 1 1 A 34 34 TYR N N 34 116.416 121.446 -5.030 1
1 369 . 16 1 1 A 35 35 LEU H H 35 7.904 8.495 -0.591 1
1 370 . 16 1 1 A 35 35 LEU HA H 35 3.670 3.600 0.070 1
1 380 . 16 1 1 A 35 35 LEU CA C 35 57.967 57.927 0.040 1
1 381 . 16 1 1 A 35 35 LEU CB C 35 40.740 41.418 -0.678 1
1 385 . 16 1 1 A 35 35 LEU N N 35 118.885 119.726 -0.841 1
1 386 . 16 1 1 A 36 36 GLU H H 36 8.662 8.508 0.154 1
1 387 . 16 1 1 A 36 36 GLU HA H 36 3.993 4.026 -0.033 1
1 392 . 16 1 1 A 36 36 GLU CA C 36 59.749 59.355 0.394 1
1 393 . 16 1 1 A 36 36 GLU CB C 36 29.887 29.619 0.268 1
1 395 . 16 1 1 A 36 36 GLU N N 36 120.936 117.528 3.408 1
1 396 . 16 1 1 A 37 37 LEU H H 37 8.195 7.612 0.583 1
1 397 . 16 1 1 A 37 37 LEU HA H 37 3.979 4.125 -0.146 1
1 407 . 16 1 1 A 37 37 LEU CA C 37 56.947 56.829 0.118 1
1 408 . 16 1 1 A 37 37 LEU CB C 37 42.936 43.422 -0.486 1
1 412 . 16 1 1 A 37 37 LEU N N 37 116.413 119.558 -3.145 1
1 413 . 16 1 1 A 38 38 TYR H H 38 7.663 7.655 0.008 1
1 414 . 16 1 1 A 38 38 TYR HA H 38 4.951 4.213 0.738 1
1 421 . 16 1 1 A 38 38 TYR CA C 38 58.581 59.411 -0.830 1
1 422 . 16 1 1 A 38 38 TYR CB C 38 41.068 38.958 2.110 1
1 425 . 16 1 1 A 38 38 TYR N N 38 110.509 119.873 -9.364 1
1 426 . 16 1 1 A 39 39 ILE H H 39 7.833 7.325 0.508 1
1 427 . 16 1 1 A 39 39 ILE HA H 39 4.642 4.173 0.469 1
1 437 . 16 1 1 A 39 39 ILE CA C 39 60.000 59.860 0.140 1
1 438 . 16 1 1 A 39 39 ILE CB C 39 37.111 39.360 -2.249 1
1 442 . 16 1 1 A 39 39 ILE N N 39 116.068 118.540 -2.472 1
1 443 . 16 1 1 A 40 40 PHE H H 40 9.117 8.909 0.208 1
1 444 . 16 1 1 A 40 40 PHE HA H 40 4.634 4.124 0.510 1
1 452 . 16 1 1 A 40 40 PHE CA C 40 57.492 58.615 -1.123 1
1 453 . 16 1 1 A 40 40 PHE CB C 40 34.374 36.437 -2.063 1
1 457 . 16 1 1 A 40 40 PHE N N 40 121.241 126.624 -5.383 1
1 458 . 16 1 1 A 41 41 PRO HA H 41 4.388 4.391 -0.003 1
1 465 . 16 1 1 A 41 41 PRO CA C 41 66.132 66.280 -0.148 1
1 466 . 16 1 1 A 41 41 PRO CB C 41 31.261 31.239 0.022 1
1 469 . 16 1 1 A 42 42 HIS H H 42 7.153 7.799 -0.646 1
1 470 . 16 1 1 A 42 42 HIS HA H 42 4.678 4.590 0.088 1
1 474 . 16 1 1 A 42 42 HIS CA C 42 57.336 57.376 -0.040 1
1 475 . 16 1 1 A 42 42 HIS CB C 42 32.895 30.298 2.597 1
1 477 . 16 1 1 A 42 42 HIS N N 42 111.205 115.942 -4.737 1
1 478 . 16 1 1 A 43 43 ILE H H 43 7.327 7.543 -0.216 1
1 479 . 16 1 1 A 43 43 ILE HA H 43 4.938 4.338 0.600 1
1 489 . 16 1 1 A 43 43 ILE CA C 43 60.527 60.166 0.361 1
1 490 . 16 1 1 A 43 43 ILE CB C 43 40.445 37.986 2.459 1
1 494 . 16 1 1 A 43 43 ILE N N 43 105.996 113.176 -7.180 1
1 495 . 16 1 1 A 44 44 GLY H H 44 8.958 8.430 0.528 1
1 496 . 16 1 1 A 44 44 GLY HA2 H 44 4.340 3.978 0.362 1
1 497 . 16 1 1 A 44 44 GLY HA3 H 44 3.855 4.108 -0.253 1
1 498 . 16 1 1 A 44 44 GLY CA C 44 48.385 46.529 1.856 1
1 499 . 16 1 1 A 44 44 GLY N N 44 110.704 112.899 -2.195 1
1 500 . 16 1 1 A 45 45 SER H H 45 8.294 7.645 0.649 1
1 501 . 16 1 1 A 45 45 SER HA H 45 4.517 4.458 0.059 1
1 504 . 16 1 1 A 45 45 SER CA C 45 58.270 58.405 -0.135 1
1 505 . 16 1 1 A 45 45 SER CB C 45 63.563 63.535 0.028 1
1 506 . 16 1 1 A 45 45 SER N N 45 110.505 116.781 -6.276 1
1 507 . 16 1 1 A 46 46 SER H H 46 7.689 7.731 -0.042 1
1 508 . 16 1 1 A 46 46 SER HA H 46 4.322 4.759 -0.437 1
1 511 . 16 1 1 A 46 46 SER CA C 46 59.282 58.609 0.673 1
1 512 . 16 1 1 A 46 46 SER CB C 46 63.719 63.858 -0.139 1
1 513 . 16 1 1 A 46 46 SER N N 46 119.190 116.692 2.498 1
1 514 . 16 1 1 A 47 47 ASP H H 47 8.646 8.934 -0.288 1
1 515 . 16 1 1 A 47 47 ASP HA H 47 4.446 4.824 -0.378 1
1 518 . 16 1 1 A 47 47 ASP CA C 47 54.145 54.114 0.031 1
1 519 . 16 1 1 A 47 47 ASP CB C 47 41.652 41.874 -0.222 1
1 520 . 16 1 1 A 47 47 ASP N N 47 124.868 125.150 -0.282 1
1 521 . 16 1 1 A 48 48 ILE H H 48 9.406 8.874 0.532 1
1 522 . 16 1 1 A 48 48 ILE HA H 48 4.091 4.218 -0.127 1
1 532 . 16 1 1 A 48 48 ILE CA C 48 63.844 63.321 0.523 1
1 533 . 16 1 1 A 48 48 ILE CB C 48 39.845 38.129 1.716 1
1 537 . 16 1 1 A 48 48 ILE N N 48 129.573 125.367 4.206 1
1 538 . 16 1 1 A 49 49 ARG H H 49 9.004 8.763 0.241 1
1 539 . 16 1 1 A 49 49 ARG HA H 49 4.166 4.205 -0.039 1
1 546 . 16 1 1 A 49 49 ARG CA C 49 57.534 57.724 -0.190 1
1 547 . 16 1 1 A 49 49 ARG CB C 49 29.870 29.329 0.541 1
1 548 . 16 1 1 A 49 49 ARG N N 49 119.541 119.442 0.099 1
1 549 . 16 1 1 A 50 50 GLN H H 50 7.868 7.614 0.254 1
1 550 . 16 1 1 A 50 50 GLN HA H 50 4.498 4.565 -0.067 1
1 557 . 16 1 1 A 50 50 GLN CA C 50 54.633 54.929 -0.296 1
1 558 . 16 1 1 A 50 50 GLN CB C 50 29.548 28.818 0.730 1
1 560 . 16 1 1 A 50 50 GLN N N 50 114.374 119.783 -5.409 1
1 562 . 16 1 1 A 51 51 LEU H H 51 6.799 8.646 -1.847 1
1 563 . 16 1 1 A 51 51 LEU HA H 51 4.516 4.748 -0.232 1
1 573 . 16 1 1 A 51 51 LEU CA C 51 54.519 55.118 -0.599 1
1 574 . 16 1 1 A 51 51 LEU CB C 51 43.014 43.670 -0.656 1
1 578 . 16 1 1 A 51 51 LEU N N 51 119.548 127.544 -7.996 1
1 579 . 16 1 1 A 52 52 LYS H H 52 10.373 8.467 1.906 1
1 580 . 16 1 1 A 52 52 LYS HA H 52 4.725 4.774 -0.049 1
1 589 . 16 1 1 A 52 52 LYS CA C 52 53.806 54.293 -0.487 1
1 590 . 16 1 1 A 52 52 LYS CB C 52 34.394 35.147 -0.753 1
1 594 . 16 1 1 A 52 52 LYS N N 52 125.943 125.374 0.569 1
1 595 . 16 1 1 A 53 53 THR H H 53 8.724 8.623 0.101 1
1 596 . 16 1 1 A 53 53 THR HA H 53 4.727 4.658 0.069 1
1 601 . 16 1 1 A 53 53 THR CA C 53 57.570 61.371 -3.801 1
1 602 . 16 1 1 A 53 53 THR CB C 53 68.467 69.718 -1.251 1
1 604 . 16 1 1 A 53 53 THR N N 53 117.533 115.640 1.893 1
1 605 . 16 1 1 A 54 54 SER H H 54 8.416 8.860 -0.444 1
1 606 . 16 1 1 A 54 54 SER HA H 54 4.743 4.219 0.524 1
1 609 . 16 1 1 A 54 54 SER CA C 54 61.306 60.257 1.049 1
1 610 . 16 1 1 A 54 54 SER CB C 54 61.132 62.710 -1.578 1
1 611 . 16 1 1 A 54 54 SER N N 54 112.941 117.832 -4.891 1
1 612 . 16 1 1 A 55 55 HIS H H 55 7.077 7.965 -0.888 1
1 613 . 16 1 1 A 55 55 HIS HA H 55 4.425 4.356 0.069 1
1 617 . 16 1 1 A 55 55 HIS CA C 55 58.659 59.639 -0.980 1
1 618 . 16 1 1 A 55 55 HIS CB C 55 33.051 30.232 2.819 1
1 620 . 16 1 1 A 55 55 HIS N N 55 120.680 118.965 1.715 1
1 621 . 16 1 1 A 56 56 LEU H H 56 7.410 7.641 -0.231 1
1 622 . 16 1 1 A 56 56 LEU HA H 56 3.916 3.995 -0.079 1
1 632 . 16 1 1 A 56 56 LEU CA C 56 56.558 57.457 -0.899 1
1 633 . 16 1 1 A 56 56 LEU CB C 56 42.547 41.458 1.089 1
1 637 . 16 1 1 A 56 56 LEU N N 56 115.029 116.034 -1.005 1
1 638 . 16 1 1 A 57 57 LEU H H 57 7.906 7.518 0.388 1
1 639 . 16 1 1 A 57 57 LEU HA H 57 4.073 4.107 -0.034 1
1 649 . 16 1 1 A 57 57 LEU CA C 57 56.047 57.149 -1.102 1
1 650 . 16 1 1 A 57 57 LEU CB C 57 42.575 41.538 1.037 1
1 654 . 16 1 1 A 57 57 LEU N N 57 113.214 121.599 -8.385 1
1 655 . 16 1 1 A 58 58 ALA H H 58 7.367 7.984 -0.617 1
1 656 . 16 1 1 A 58 58 ALA HA H 58 4.176 4.052 0.124 1
1 660 . 16 1 1 A 58 58 ALA CA C 58 57.049 57.168 -0.119 1
1 661 . 16 1 1 A 58 58 ALA CB C 58 15.362 17.155 -1.793 1
1 662 . 16 1 1 A 58 58 ALA N N 58 120.662 121.777 -1.115 1
1 663 . 16 1 1 A 59 59 PRO HA H 59 4.133 4.324 -0.191 1
1 670 . 16 1 1 A 59 59 PRO CA C 59 65.120 65.407 -0.287 1
1 671 . 16 1 1 A 59 59 PRO CB C 59 31.183 30.963 0.220 1
1 674 . 16 1 1 A 60 60 ILE H H 60 6.643 7.463 -0.820 1
1 675 . 16 1 1 A 60 60 ILE HA H 60 3.383 3.794 -0.411 1
1 685 . 16 1 1 A 60 60 ILE CA C 60 64.886 63.649 1.237 1
1 686 . 16 1 1 A 60 60 ILE CB C 60 37.799 36.745 1.054 1
1 690 . 16 1 1 A 60 60 ILE N N 60 117.809 116.840 0.969 1
1 691 . 16 1 1 A 61 61 LYS H H 61 8.635 7.984 0.651 1
1 692 . 16 1 1 A 61 61 LYS HA H 61 3.992 4.062 -0.070 1
1 701 . 16 1 1 A 61 61 LYS CA C 61 59.048 59.355 -0.307 1
1 702 . 16 1 1 A 61 61 LYS CB C 61 31.678 31.959 -0.281 1
1 706 . 16 1 1 A 61 61 LYS N N 61 120.585 121.555 -0.970 1
1 707 . 16 1 1 A 62 62 GLU H H 62 7.664 7.875 -0.211 1
1 708 . 16 1 1 A 62 62 GLU HA H 62 3.992 4.046 -0.054 1
1 713 . 16 1 1 A 62 62 GLU CA C 62 59.593 59.444 0.149 1
1 714 . 16 1 1 A 62 62 GLU CB C 62 28.975 29.386 -0.411 1
1 716 . 16 1 1 A 62 62 GLU N N 62 118.505 119.549 -1.044 1
1 717 . 16 1 1 A 63 63 VAL H H 63 7.227 7.632 -0.405 1
1 718 . 16 1 1 A 63 63 VAL HA H 63 3.545 3.872 -0.327 1
1 726 . 16 1 1 A 63 63 VAL CA C 63 65.663 64.155 1.508 1
1 727 . 16 1 1 A 63 63 VAL CB C 63 31.650 31.518 0.132 1
1 730 . 16 1 1 A 63 63 VAL N N 63 119.540 119.064 0.476 1
1 731 . 16 1 1 A 64 64 ASP H H 64 8.281 7.979 0.302 1
1 732 . 16 1 1 A 64 64 ASP HA H 64 3.984 4.349 -0.365 1
1 735 . 16 1 1 A 64 64 ASP CA C 64 58.860 57.513 1.347 1
1 736 . 16 1 1 A 64 64 ASP CB C 64 42.561 41.431 1.130 1
1 737 . 16 1 1 A 64 64 ASP N N 64 122.316 122.290 0.026 1
1 738 . 16 1 1 A 65 65 THR H H 65 8.818 8.246 0.572 1
1 739 . 16 1 1 A 65 65 THR HA H 65 4.310 4.174 0.136 1
1 744 . 16 1 1 A 65 65 THR CA C 65 68.825 65.039 3.786 1
1 745 . 16 1 1 A 65 65 THR CB C 65 65.195 68.554 -3.359 1
1 747 . 16 1 1 A 65 65 THR N N 65 112.808 115.653 -2.845 1
1 748 . 16 1 1 A 66 66 SER H H 66 7.596 7.407 0.189 1
1 749 . 16 1 1 A 66 66 SER HA H 66 4.469 4.569 -0.100 1
1 752 . 16 1 1 A 66 66 SER CA C 66 59.827 58.264 1.563 1
1 753 . 16 1 1 A 66 66 SER CB C 66 63.641 63.466 0.175 1
1 754 . 16 1 1 A 66 66 SER N N 66 116.412 114.202 2.210 1
1 755 . 16 1 1 A 67 67 GLY H H 67 7.781 8.148 -0.367 1
1 756 . 16 1 1 A 67 67 GLY HA2 H 67 4.467 3.973 0.494 1
1 757 . 16 1 1 A 67 67 GLY HA3 H 67 3.355 3.978 -0.623 1
1 758 . 16 1 1 A 67 67 GLY CA C 67 44.337 45.397 -1.060 1
1 759 . 16 1 1 A 67 67 GLY N N 67 108.565 109.924 -1.359 1
1 760 . 16 1 1 A 68 68 LYS H H 68 6.932 7.968 -1.036 1
1 761 . 16 1 1 A 68 68 LYS HA H 68 4.706 4.618 0.088 1
1 770 . 16 1 1 A 68 68 LYS CA C 68 54.145 54.809 -0.664 1
1 771 . 16 1 1 A 68 68 LYS CB C 68 30.325 32.187 -1.862 1
1 775 . 16 1 1 A 68 68 LYS N N 68 121.979 121.275 0.704 1
1 776 . 16 1 1 A 69 69 HIS H H 69 7.630 8.398 -0.768 1
1 777 . 16 1 1 A 69 69 HIS HA H 69 4.544 4.415 0.129 1
1 780 . 16 1 1 A 69 69 HIS CA C 69 58.270 58.651 -0.381 1
1 781 . 16 1 1 A 69 69 HIS CB C 69 28.303 28.943 -0.640 1
1 782 . 16 1 1 A 69 69 HIS N N 69 119.617 119.308 0.309 1
1 783 . 16 1 1 A 70 70 ASP H H 70 8.779 7.889 0.890 1
1 784 . 16 1 1 A 70 70 ASP HA H 70 4.330 3.922 0.408 1
1 787 . 16 1 1 A 70 70 ASP CA C 70 56.869 56.883 -0.014 1
1 788 . 16 1 1 A 70 70 ASP CB C 70 39.433 40.712 -1.279 1
1 789 . 16 1 1 A 70 70 ASP N N 70 118.586 121.081 -2.495 1
1 790 . 16 1 1 A 71 71 VAL H H 71 7.575 8.157 -0.582 1
1 791 . 16 1 1 A 71 71 VAL HA H 71 3.232 3.823 -0.591 1
1 799 . 16 1 1 A 71 71 VAL CA C 71 66.131 65.074 1.057 1
1 800 . 16 1 1 A 71 71 VAL CB C 71 31.105 31.287 -0.182 1
1 803 . 16 1 1 A 71 71 VAL N N 71 121.186 118.992 2.194 1
1 804 . 16 1 1 A 72 72 ALA H H 72 8.022 7.853 0.169 1
1 805 . 16 1 1 A 72 72 ALA HA H 72 3.682 3.906 -0.224 1
1 809 . 16 1 1 A 72 72 ALA CA C 72 55.702 55.663 0.039 1
1 810 . 16 1 1 A 72 72 ALA CB C 72 18.028 18.244 -0.216 1
1 811 . 16 1 1 A 72 72 ALA N N 72 120.675 123.302 -2.627 1
1 812 . 16 1 1 A 73 73 GLN H H 73 7.793 7.456 0.337 1
1 813 . 16 1 1 A 73 73 GLN HA H 73 3.971 4.105 -0.134 1
1 820 . 16 1 1 A 73 73 GLN CA C 73 58.872 58.707 0.165 1
1 821 . 16 1 1 A 73 73 GLN CB C 73 28.073 28.489 -0.416 1
1 823 . 16 1 1 A 73 73 GLN N N 73 115.949 117.730 -1.781 1
1 825 . 16 1 1 A 74 74 ARG H H 74 7.795 8.254 -0.459 1
1 826 . 16 1 1 A 74 74 ARG HA H 74 4.108 4.106 0.002 1
1 833 . 16 1 1 A 74 74 ARG CA C 74 59.282 59.109 0.173 1
1 834 . 16 1 1 A 74 74 ARG CB C 74 29.857 29.997 -0.140 1
1 837 . 16 1 1 A 74 74 ARG N N 74 119.896 119.968 -0.072 1
1 838 . 16 1 1 A 75 75 LEU H H 75 8.850 8.648 0.202 1
1 839 . 16 1 1 A 75 75 LEU HA H 75 3.935 4.010 -0.075 1
1 849 . 16 1 1 A 75 75 LEU CA C 75 57.803 57.928 -0.125 1
1 850 . 16 1 1 A 75 75 LEU CB C 75 42.858 41.599 1.259 1
1 854 . 16 1 1 A 75 75 LEU N N 75 118.044 119.868 -1.824 1
1 855 . 16 1 1 A 76 76 GLN H H 76 8.412 8.245 0.167 1
1 856 . 16 1 1 A 76 76 GLN HA H 76 3.790 4.046 -0.256 1
1 861 . 16 1 1 A 76 76 GLN CA C 76 60.294 58.837 1.457 1
1 862 . 16 1 1 A 76 76 GLN CB C 76 27.995 28.363 -0.368 1
1 864 . 16 1 1 A 76 76 GLN N N 76 119.109 117.561 1.548 1
1 865 . 16 1 1 A 77 77 GLN H H 77 7.788 8.253 -0.465 1
1 866 . 16 1 1 A 77 77 GLN HA H 77 4.090 4.124 -0.034 1
1 873 . 16 1 1 A 77 77 GLN CA C 77 59.318 58.917 0.401 1
1 874 . 16 1 1 A 77 77 GLN CB C 77 28.054 28.192 -0.138 1
1 876 . 16 1 1 A 77 77 GLN N N 77 119.616 119.383 0.233 1
1 878 . 16 1 1 A 78 78 ARG H H 78 8.552 7.535 1.017 1
1 879 . 16 1 1 A 78 78 ARG HA H 78 4.171 4.106 0.065 1
1 886 . 16 1 1 A 78 78 ARG CA C 78 57.946 58.493 -0.547 1
1 887 . 16 1 1 A 78 78 ARG CB C 78 28.958 30.128 -1.170 1
1 890 . 16 1 1 A 78 78 ARG N N 78 118.044 119.434 -1.390 1
1 891 . 16 1 1 A 79 79 VAL H H 79 8.958 7.646 1.312 1
1 892 . 16 1 1 A 79 79 VAL HA H 79 3.603 3.906 -0.303 1
1 900 . 16 1 1 A 79 79 VAL CA C 79 67.284 65.850 1.434 1
1 901 . 16 1 1 A 79 79 VAL CB C 79 31.228 31.852 -0.624 1
1 904 . 16 1 1 A 79 79 VAL N N 79 116.998 119.932 -2.934 1
1 905 . 16 1 1 A 80 80 THR H H 80 7.938 7.816 0.122 1
1 906 . 16 1 1 A 80 80 THR HA H 80 4.301 4.161 0.140 1
1 911 . 16 1 1 A 80 80 THR CA C 80 67.976 65.413 2.563 1
1 912 . 16 1 1 A 80 80 THR CB C 80 67.466 68.256 -0.790 1
1 914 . 16 1 1 A 80 80 THR N N 80 115.701 112.180 3.521 1
1 915 . 16 1 1 A 81 81 ALA H H 81 7.656 7.801 -0.145 1
1 916 . 16 1 1 A 81 81 ALA HA H 81 4.070 4.046 0.024 1
1 920 . 16 1 1 A 81 81 ALA CA C 81 55.232 55.046 0.186 1
1 921 . 16 1 1 A 81 81 ALA CB C 81 18.087 17.826 0.261 1
1 922 . 16 1 1 A 81 81 ALA N N 81 124.407 124.175 0.232 1
1 923 . 16 1 1 A 82 82 ILE H H 82 7.901 7.812 0.089 1
1 924 . 16 1 1 A 82 82 ILE HA H 82 2.733 3.941 -1.208 1
1 934 . 16 1 1 A 82 82 ILE CA C 82 65.450 65.240 0.210 1
1 935 . 16 1 1 A 82 82 ILE CB C 82 37.569 38.145 -0.576 1
1 939 . 16 1 1 A 82 82 ILE N N 82 121.196 119.367 1.829 1
1 940 . 16 1 1 A 83 83 MET H H 83 8.258 8.796 -0.538 1
1 941 . 16 1 1 A 83 83 MET HA H 83 4.556 4.295 0.261 1
1 949 . 16 1 1 A 83 83 MET CA C 83 56.403 58.350 -1.947 1
1 950 . 16 1 1 A 83 83 MET CB C 83 29.782 32.352 -2.570 1
1 953 . 16 1 1 A 83 83 MET N N 83 120.154 120.945 -0.791 1
1 954 . 16 1 1 A 84 84 ARG H H 84 7.915 8.153 -0.238 1
1 955 . 16 1 1 A 84 84 ARG HA H 84 4.039 3.899 0.140 1
1 962 . 16 1 1 A 84 84 ARG CA C 84 59.749 59.141 0.608 1
1 963 . 16 1 1 A 84 84 ARG CB C 84 30.000 29.747 0.253 1
1 966 . 16 1 1 A 84 84 ARG N N 84 116.534 119.780 -3.246 1
1 967 . 16 1 1 A 85 85 TYR H H 85 8.221 8.535 -0.314 1
1 968 . 16 1 1 A 85 85 TYR HA H 85 4.255 4.285 -0.030 1
1 975 . 16 1 1 A 85 85 TYR CA C 85 61.382 61.960 -0.578 1
1 976 . 16 1 1 A 85 85 TYR CB C 85 38.499 38.860 -0.361 1
1 979 . 16 1 1 A 85 85 TYR N N 85 122.313 121.726 0.587 1
1 980 . 16 1 1 A 86 86 ALA H H 86 8.804 8.049 0.755 1
1 981 . 16 1 1 A 86 86 ALA HA H 86 4.223 4.326 -0.103 1
1 985 . 16 1 1 A 86 86 ALA CA C 86 55.043 55.168 -0.125 1
1 986 . 16 1 1 A 86 86 ALA CB C 86 18.087 18.530 -0.443 1
1 987 . 16 1 1 A 86 86 ALA N N 86 123.291 121.881 1.410 1
1 988 . 16 1 1 A 87 87 VAL H H 87 8.113 8.051 0.062 1
1 989 . 16 1 1 A 87 87 VAL HA H 87 4.170 3.402 0.768 1
1 997 . 16 1 1 A 87 87 VAL CA C 87 65.146 66.955 -1.809 1
1 998 . 16 1 1 A 87 87 VAL CB C 87 31.897 31.534 0.363 1
1 1001 . 16 1 1 A 87 87 VAL N N 87 120.144 118.499 1.645 1
1 1002 . 16 1 1 A 88 88 GLN H H 88 8.458 8.566 -0.108 1
1 1003 . 16 1 1 A 88 88 GLN HA H 88 3.983 3.966 0.017 1
1 1010 . 16 1 1 A 88 88 GLN CA C 88 58.270 58.956 -0.686 1
1 1011 . 16 1 1 A 88 88 GLN CB C 88 28.075 28.147 -0.072 1
1 1013 . 16 1 1 A 88 88 GLN N N 88 120.751 119.626 1.125 1
1 1015 . 16 1 1 A 89 89 ASN H H 89 7.359 7.387 -0.028 1
1 1016 . 16 1 1 A 89 89 ASN HA H 89 4.486 4.594 -0.108 1
1 1021 . 16 1 1 A 89 89 ASN CA C 89 53.444 52.617 0.827 1
1 1022 . 16 1 1 A 89 89 ASN CB C 89 38.932 37.986 0.946 1
1 1023 . 16 1 1 A 89 89 ASN N N 89 113.850 114.276 -0.426 1
1 1025 . 16 1 1 A 90 90 ASP H H 90 7.849 7.962 -0.113 1
1 1026 . 16 1 1 A 90 90 ASP HA H 90 4.387 4.258 0.129 1
1 1029 . 16 1 1 A 90 90 ASP CA C 90 55.935 55.043 0.892 1
1 1030 . 16 1 1 A 90 90 ASP CB C 90 38.811 40.009 -1.198 1
1 1031 . 16 1 1 A 90 90 ASP N N 90 113.293 117.947 -4.654 1
1 1032 . 16 1 1 A 91 91 TYR H H 91 8.489 7.685 0.804 1
1 1033 . 16 1 1 A 91 91 TYR HA H 91 4.589 4.281 0.308 1
1 1040 . 16 1 1 A 91 91 TYR CA C 91 60.000 61.270 -1.270 1
1 1041 . 16 1 1 A 91 91 TYR CB C 91 38.811 38.435 0.376 1
1 1044 . 16 1 1 A 91 91 TYR N N 91 116.072 117.657 -1.585 1
1 1045 . 16 1 1 A 92 92 ILE H H 92 7.131 7.473 -0.342 1
1 1046 . 16 1 1 A 92 92 ILE HA H 92 4.684 4.379 0.305 1
1 1056 . 16 1 1 A 92 92 ILE CA C 92 59.126 61.240 -2.114 1
1 1057 . 16 1 1 A 92 92 ILE CB C 92 41.846 40.163 1.683 1
1 1061 . 16 1 1 A 92 92 ILE N N 92 107.409 111.311 -3.902 1
1 1062 . 16 1 1 A 93 93 ASP H H 93 8.731 8.244 0.487 1
1 1063 . 16 1 1 A 93 93 ASP HA H 93 4.707 4.254 0.453 1
1 1066 . 16 1 1 A 93 93 ASP CA C 93 54.689 55.111 -0.422 1
1 1067 . 16 1 1 A 93 93 ASP CB C 93 41.924 39.585 2.339 1
1 1068 . 16 1 1 A 93 93 ASP N N 93 118.847 122.827 -3.980 1
1 1069 . 16 1 1 A 94 94 SER H H 94 7.638 7.482 0.156 1
1 1070 . 16 1 1 A 94 94 SER HA H 94 4.491 5.110 -0.619 1
1 1073 . 16 1 1 A 94 94 SER CA C 94 57.102 57.714 -0.612 1
1 1074 . 16 1 1 A 94 94 SER CB C 94 64.186 67.102 -2.916 1
1 1075 . 16 1 1 A 94 94 SER N N 94 112.240 113.270 -1.030 1
1 1076 . 16 1 1 A 95 95 ASN H H 95 8.801 8.928 -0.127 1
1 1077 . 16 1 1 A 95 95 ASN HA H 95 4.942 5.513 -0.571 1
1 1082 . 16 1 1 A 95 95 ASN CA C 95 49.941 50.372 -0.431 1
1 1083 . 16 1 1 A 95 95 ASN CB C 95 39.356 39.605 -0.249 1
1 1084 . 16 1 1 A 95 95 ASN N N 95 119.551 122.063 -2.512 1
1 1086 . 16 1 1 A 96 96 PRO HA H 96 4.632 4.597 0.035 1
1 1093 . 16 1 1 A 96 96 PRO CA C 96 63.564 63.962 -0.398 1
1 1094 . 16 1 1 A 96 96 PRO CB C 96 32.058 32.023 0.035 1
1 1097 . 16 1 1 A 97 97 ALA H H 97 8.335 8.394 -0.059 1
1 1098 . 16 1 1 A 97 97 ALA HA H 97 4.436 4.550 -0.114 1
1 1102 . 16 1 1 A 97 97 ALA CA C 97 52.055 51.983 0.072 1
1 1103 . 16 1 1 A 97 97 ALA CB C 97 18.998 19.355 -0.357 1
1 1104 . 16 1 1 A 97 97 ALA N N 97 121.226 121.788 -0.562 1
1 1105 . 16 1 1 A 98 98 SER H H 98 7.600 7.835 -0.235 1
1 1106 . 16 1 1 A 98 98 SER HA H 98 4.168 4.331 -0.163 1
1 1109 . 16 1 1 A 98 98 SER CA C 98 60.372 61.277 -0.905 1
1 1110 . 16 1 1 A 98 98 SER CB C 98 63.018 63.025 -0.007 1
1 1111 . 16 1 1 A 98 98 SER N N 98 114.935 113.757 1.178 1
1 1112 . 16 1 1 A 99 99 ASP H H 99 8.098 8.140 -0.042 1
1 1113 . 16 1 1 A 99 99 ASP HA H 99 4.760 4.362 0.398 1
1 1116 . 16 1 1 A 99 99 ASP CA C 99 54.300 56.741 -2.441 1
1 1117 . 16 1 1 A 99 99 ASP CB C 99 40.835 40.602 0.233 1
1 1118 . 16 1 1 A 99 99 ASP N N 99 119.889 121.591 -1.702 1
1 1119 . 16 1 1 A 100 100 MET H H 100 7.885 8.234 -0.349 1
1 1120 . 16 1 1 A 100 100 MET HA H 100 4.205 4.268 -0.063 1
1 1128 . 16 1 1 A 100 100 MET CA C 100 57.025 58.087 -1.062 1
1 1129 . 16 1 1 A 100 100 MET CB C 100 33.038 32.511 0.527 1
1 1132 . 16 1 1 A 100 100 MET N N 100 119.185 115.966 3.219 1
1 1133 . 16 1 1 A 101 101 ALA H H 101 8.041 7.517 0.524 1
1 1134 . 16 1 1 A 101 101 ALA HA H 101 4.137 4.421 -0.284 1
1 1138 . 16 1 1 A 101 101 ALA CA C 101 53.655 51.719 1.936 1
1 1139 . 16 1 1 A 101 101 ALA CB C 101 18.537 18.065 0.472 1
1 1140 . 16 1 1 A 101 101 ALA N N 101 122.264 122.013 0.251 1
1 1141 . 16 1 1 A 102 102 GLY H H 102 8.293 8.435 -0.142 1
1 1142 . 16 1 1 A 102 102 GLY HA2 H 102 3.910 4.262 -0.352 1
1 1143 . 16 1 1 A 102 102 GLY HA3 H 102 3.913 4.263 -0.350 1
1 1144 . 16 1 1 A 102 102 GLY CA C 102 45.664 44.006 1.658 1
1 1145 . 16 1 1 A 102 102 GLY N N 102 107.557 110.056 -2.499 1
1 1146 . 16 1 1 A 103 103 ALA H H 103 7.955 8.565 -0.610 1
1 1147 . 16 1 1 A 103 103 ALA HA H 103 4.235 4.483 -0.248 1
1 1151 . 16 1 1 A 103 103 ALA CA C 103 53.423 51.295 2.128 1
1 1152 . 16 1 1 A 103 103 ALA CB C 103 19.219 18.235 0.984 1
1 1153 . 16 1 1 A 103 103 ALA N N 103 123.285 123.669 -0.384 1
1 1154 . 16 1 1 A 104 104 LEU H H 104 8.145 8.086 0.059 1
1 1155 . 16 1 1 A 104 104 LEU HA H 104 4.301 4.280 0.021 1
1 1165 . 16 1 1 A 104 104 LEU CA C 104 55.312 56.224 -0.912 1
1 1166 . 16 1 1 A 104 104 LEU CB C 104 41.644 41.686 -0.042 1
1 1170 . 16 1 1 A 104 104 LEU N N 104 118.570 121.963 -3.393 1
1 1171 . 16 1 1 A 105 105 SER H H 105 8.040 7.819 0.221 1
1 1172 . 16 1 1 A 105 105 SER HA H 105 4.390 4.512 -0.122 1
1 1175 . 16 1 1 A 105 105 SER CA C 105 58.893 58.634 0.259 1
1 1176 . 16 1 1 A 105 105 SER CB C 105 63.424 63.074 0.350 1
1 1177 . 16 1 1 A 105 105 SER N N 105 115.022 114.964 0.058 1
1 1178 . 16 1 1 A 106 106 THR H H 106 8.032 7.851 0.181 1
1 1179 . 16 1 1 A 106 106 THR HA H 106 4.293 4.254 0.039 1
1 1184 . 16 1 1 A 106 106 THR CA C 106 62.037 63.432 -1.395 1
1 1185 . 16 1 1 A 106 106 THR CB C 106 69.401 69.456 -0.055 1
1 1187 . 16 1 1 A 106 106 THR N N 106 115.371 112.092 3.279 1
1 1188 . 16 1 1 A 107 107 THR H H 107 7.940 7.472 0.468 1
1 1189 . 16 1 1 A 107 107 THR HA H 107 4.296 4.427 -0.131 1
1 1194 . 16 1 1 A 107 107 THR CA C 107 61.539 62.576 -1.037 1
1 1195 . 16 1 1 A 107 107 THR CB C 107 61.610 68.819 -7.209 1
1 1197 . 16 1 1 A 107 107 THR N N 107 122.759 116.780 5.979 1
1 1198 . 16 1 1 A 108 108 LYS H H 108 8.240 8.670 -0.430 1
1 1199 . 16 1 1 A 108 108 LYS HA H 108 4.241 4.385 -0.144 1
1 1208 . 16 1 1 A 108 108 LYS CA C 108 56.324 58.261 -1.937 1
1 1209 . 16 1 1 A 108 108 LYS CB C 108 32.817 31.454 1.363 1
1 1213 . 16 1 1 A 108 108 LYS N N 108 124.773 120.952 3.821 1
1 1214 . 16 1 1 A 109 109 ALA H H 109 8.131 8.703 -0.572 1
1 1215 . 16 1 1 A 109 109 ALA HA H 109 4.224 4.513 -0.289 1
1 1219 . 16 1 1 A 109 109 ALA CA C 109 52.432 53.441 -1.009 1
1 1220 . 16 1 1 A 109 109 ALA CB C 109 19.017 20.530 -1.513 1
1 1221 . 16 1 1 A 109 109 ALA N N 109 124.331 123.134 1.197 1
1 1222 . 16 1 1 A 110 110 ARG H H 110 8.114 7.572 0.542 1
1 1223 . 16 1 1 A 110 110 ARG HA H 110 4.191 4.800 -0.609 1
1 1230 . 16 1 1 A 110 110 ARG CA C 110 56.013 54.723 1.290 1
1 1231 . 16 1 1 A 110 110 ARG CB C 110 30.871 33.324 -2.453 1
1 1234 . 16 1 1 A 110 110 ARG N N 110 119.544 116.303 3.241 1
1 1235 . 16 1 1 A 111 111 HIS H H 111 8.283 9.122 -0.839 1
1 1236 . 16 1 1 A 111 111 HIS HA H 111 4.604 4.787 -0.183 1
1 1240 . 16 1 1 A 111 111 HIS CA C 111 55.448 54.849 0.599 1
1 1241 . 16 1 1 A 111 111 HIS CB C 111 29.866 30.012 -0.146 1
1 1243 . 16 1 1 A 111 111 HIS N N 111 119.886 124.446 -4.560 1
1 1244 . 16 1 1 A 112 112 TYR H H 112 8.179 7.846 0.333 1
1 1245 . 16 1 1 A 112 112 TYR HA H 112 4.766 4.617 0.149 1
1 1252 . 16 1 1 A 112 112 TYR CA C 112 55.701 59.062 -3.361 1
1 1253 . 16 1 1 A 112 112 TYR CB C 112 38.110 37.342 0.768 1
1 1256 . 16 1 1 A 112 112 TYR N N 112 122.673 116.861 5.812 1
1 1257 . 16 1 1 A 113 113 PRO HA H 113 4.399 4.659 -0.260 1
1 1264 . 16 1 1 A 113 113 PRO CA C 113 63.097 63.104 -0.007 1
1 1265 . 16 1 1 A 113 113 PRO CB C 113 31.684 31.747 -0.063 1
1 1268 . 16 1 1 A 114 114 LEU H H 114 8.225 8.491 -0.266 1
1 1269 . 16 1 1 A 114 114 LEU HA H 114 4.265 4.433 -0.168 1
1 1279 . 16 1 1 A 114 114 LEU CA C 114 55.069 55.024 0.045 1
1 1280 . 16 1 1 A 114 114 LEU CB C 114 42.104 42.602 -0.498 1
1 1284 . 16 1 1 A 114 114 LEU N N 114 121.625 119.866 1.759 1
1 1285 . 16 1 1 A 115 115 GLU H H 115 8.273 7.730 0.543 1
1 1286 . 16 1 1 A 115 115 GLU HA H 115 4.202 4.846 -0.644 1
1 1291 . 16 1 1 A 115 115 GLU CA C 115 56.402 54.892 1.510 1
1 1292 . 16 1 1 A 115 115 GLU CB C 115 30.249 33.225 -2.976 1
1 5 . 17 1 1 A 2 2 GLU HA H 2 4.399 4.103 0.296 1
1 10 . 17 1 1 A 2 2 GLU CA C 2 56.358 59.272 -2.914 1
1 11 . 17 1 1 A 2 2 GLU CB C 2 30.249 28.888 1.361 1
1 13 . 17 1 1 A 3 3 ASN H H 3 8.699 7.811 0.888 1
1 14 . 17 1 1 A 3 3 ASN HA H 3 4.753 4.989 -0.236 1
1 19 . 17 1 1 A 3 3 ASN CA C 3 53.211 51.743 1.468 1
1 20 . 17 1 1 A 3 3 ASN CB C 3 38.733 38.627 0.106 1
1 21 . 17 1 1 A 3 3 ASN N N 3 120.234 118.635 1.599 1
1 23 . 17 1 1 A 4 4 SER H H 4 8.428 8.226 0.202 1
1 24 . 17 1 1 A 4 4 SER HA H 4 4.395 5.081 -0.686 1
1 27 . 17 1 1 A 4 4 SER CA C 4 59.048 57.738 1.310 1
1 28 . 17 1 1 A 4 4 SER CB C 4 63.485 66.605 -3.120 1
1 29 . 17 1 1 A 4 4 SER N N 4 116.413 119.074 -2.661 1
1 30 . 17 1 1 A 5 5 GLY H H 5 8.525 8.590 -0.065 1
1 31 . 17 1 1 A 5 5 GLY HA2 H 5 3.970 4.224 -0.254 1
1 32 . 17 1 1 A 5 5 GLY HA3 H 5 3.969 4.248 -0.279 1
1 33 . 17 1 1 A 5 5 GLY CA C 5 45.717 45.762 -0.045 1
1 34 . 17 1 1 A 5 5 GLY N N 5 111.196 113.619 -2.423 1
1 35 . 17 1 1 A 6 6 ALA H H 6 7.941 7.828 0.113 1
1 36 . 17 1 1 A 6 6 ALA HA H 6 4.206 4.295 -0.089 1
1 40 . 17 1 1 A 6 6 ALA CA C 6 52.988 54.517 -1.529 1
1 41 . 17 1 1 A 6 6 ALA CB C 6 19.429 19.364 0.065 1
1 42 . 17 1 1 A 6 6 ALA N N 6 123.277 121.322 1.955 1
1 43 . 17 1 1 A 7 7 TYR H H 7 8.351 7.494 0.857 1
1 44 . 17 1 1 A 7 7 TYR HA H 7 4.509 4.846 -0.337 1
1 51 . 17 1 1 A 7 7 TYR CA C 7 57.528 57.329 0.199 1
1 52 . 17 1 1 A 7 7 TYR CB C 7 39.356 39.473 -0.117 1
1 55 . 17 1 1 A 7 7 TYR N N 7 114.900 113.906 0.994 1
1 56 . 17 1 1 A 8 8 THR H H 8 7.735 7.342 0.393 1
1 57 . 17 1 1 A 8 8 THR HA H 8 4.922 3.826 1.096 1
1 62 . 17 1 1 A 8 8 THR CA C 8 60.827 64.147 -3.320 1
1 63 . 17 1 1 A 8 8 THR CB C 8 70.109 69.301 0.808 1
1 65 . 17 1 1 A 8 8 THR N N 8 110.856 116.788 -5.932 1
1 66 . 17 1 1 A 9 9 PHE H H 9 8.816 9.015 -0.199 1
1 67 . 17 1 1 A 9 9 PHE HA H 9 3.825 4.024 -0.199 1
1 75 . 17 1 1 A 9 9 PHE CA C 9 62.935 62.388 0.547 1
1 76 . 17 1 1 A 9 9 PHE CB C 9 39.373 39.465 -0.092 1
1 80 . 17 1 1 A 9 9 PHE N N 9 121.282 126.106 -4.824 1
1 81 . 17 1 1 A 10 10 GLU H H 10 9.741 8.221 1.520 1
1 82 . 17 1 1 A 10 10 GLU HA H 10 3.295 3.810 -0.515 1
1 87 . 17 1 1 A 10 10 GLU CA C 10 59.586 59.476 0.110 1
1 88 . 17 1 1 A 10 10 GLU CB C 10 28.453 29.629 -1.176 1
1 90 . 17 1 1 A 10 10 GLU N N 10 117.454 118.328 -0.874 1
1 91 . 17 1 1 A 11 11 THR H H 11 7.542 8.025 -0.483 1
1 92 . 17 1 1 A 11 11 THR HA H 11 3.667 3.867 -0.200 1
1 97 . 17 1 1 A 11 11 THR CA C 11 66.550 67.057 -0.507 1
1 98 . 17 1 1 A 11 11 THR CB C 11 66.557 68.221 -1.664 1
1 100 . 17 1 1 A 11 11 THR N N 11 115.970 116.959 -0.989 1
1 101 . 17 1 1 A 12 12 ILE H H 12 7.724 8.034 -0.310 1
1 102 . 17 1 1 A 12 12 ILE HA H 12 3.561 3.602 -0.041 1
1 112 . 17 1 1 A 12 12 ILE CA C 12 63.395 65.300 -1.905 1
1 113 . 17 1 1 A 12 12 ILE CB C 12 36.233 37.906 -1.673 1
1 117 . 17 1 1 A 12 12 ILE N N 12 122.235 121.529 0.706 1
1 118 . 17 1 1 A 13 13 ALA H H 13 9.099 7.910 1.189 1
1 119 . 17 1 1 A 13 13 ALA HA H 13 3.975 3.883 0.092 1
1 123 . 17 1 1 A 13 13 ALA CA C 13 55.666 54.514 1.152 1
1 124 . 17 1 1 A 13 13 ALA CB C 13 20.126 18.000 2.126 1
1 125 . 17 1 1 A 13 13 ALA N N 13 122.259 120.940 1.319 1
1 126 . 17 1 1 A 14 14 ARG H H 14 8.600 7.129 1.471 1
1 127 . 17 1 1 A 14 14 ARG HA H 14 4.097 3.803 0.294 1
1 134 . 17 1 1 A 14 14 ARG CA C 14 60.889 59.068 1.821 1
1 135 . 17 1 1 A 14 14 ARG CB C 14 29.000 29.919 -0.919 1
1 138 . 17 1 1 A 14 14 ARG N N 14 116.993 117.265 -0.272 1
1 139 . 17 1 1 A 15 15 GLU H H 15 7.924 7.600 0.324 1
1 140 . 17 1 1 A 15 15 GLU HA H 15 4.085 3.909 0.176 1
1 145 . 17 1 1 A 15 15 GLU CA C 15 59.312 59.309 0.003 1
1 146 . 17 1 1 A 15 15 GLU CB C 15 29.866 29.094 0.772 1
1 148 . 17 1 1 A 15 15 GLU N N 15 122.758 119.314 3.444 1
1 149 . 17 1 1 A 16 16 TRP H H 16 8.864 7.345 1.519 1
1 150 . 17 1 1 A 16 16 TRP HA H 16 4.740 4.527 0.213 1
1 158 . 17 1 1 A 16 16 TRP CA C 16 60.839 59.266 1.573 1
1 159 . 17 1 1 A 16 16 TRP CB C 16 26.693 28.024 -1.331 1
1 163 . 17 1 1 A 16 16 TRP N N 16 122.323 118.954 3.369 1
1 165 . 17 1 1 A 17 17 HIS H H 17 8.803 6.839 1.964 1
1 166 . 17 1 1 A 17 17 HIS HA H 17 3.076 4.078 -1.002 1
1 170 . 17 1 1 A 17 17 HIS CA C 17 60.683 59.863 0.820 1
1 171 . 17 1 1 A 17 17 HIS CB C 17 30.772 29.274 1.498 1
1 173 . 17 1 1 A 17 17 HIS N N 17 121.293 120.528 0.765 1
1 174 . 17 1 1 A 18 18 GLU H H 18 7.897 8.871 -0.974 1
1 175 . 17 1 1 A 18 18 GLU HA H 18 3.837 4.088 -0.251 1
1 180 . 17 1 1 A 18 18 GLU CA C 18 57.506 58.722 -1.216 1
1 181 . 17 1 1 A 18 18 GLU CB C 18 29.421 28.948 0.473 1
1 183 . 17 1 1 A 18 18 GLU N N 18 118.162 118.237 -0.075 1
1 184 . 17 1 1 A 19 19 SER H H 19 7.461 7.955 -0.494 1
1 185 . 17 1 1 A 19 19 SER HA H 19 4.150 4.399 -0.249 1
1 188 . 17 1 1 A 19 19 SER CA C 19 60.000 61.259 -1.259 1
1 189 . 17 1 1 A 19 19 SER CB C 19 63.329 63.112 0.217 1
1 190 . 17 1 1 A 19 19 SER N N 19 112.802 114.494 -1.692 1
1 191 . 17 1 1 A 20 20 ASN H H 20 6.638 7.928 -1.290 1
1 192 . 17 1 1 A 20 20 ASN HA H 20 4.226 4.986 -0.760 1
1 195 . 17 1 1 A 20 20 ASN CA C 20 53.211 51.747 1.464 1
1 196 . 17 1 1 A 20 20 ASN CB C 20 37.021 39.366 -2.345 1
1 197 . 17 1 1 A 20 20 ASN N N 20 121.098 118.561 2.537 1
1 198 . 17 1 1 A 21 21 LYS H H 21 8.010 8.900 -0.890 1
1 199 . 17 1 1 A 21 21 LYS HA H 21 4.077 3.231 0.846 1
1 208 . 17 1 1 A 21 21 LYS CA C 21 56.558 56.648 -0.090 1
1 209 . 17 1 1 A 21 21 LYS CB C 21 32.435 30.826 1.609 1
1 213 . 17 1 1 A 21 21 LYS N N 21 122.666 123.571 -0.905 1
1 214 . 17 1 1 A 22 22 ARG H H 22 8.007 7.429 0.578 1
1 215 . 17 1 1 A 22 22 ARG HA H 22 4.257 4.423 -0.166 1
1 222 . 17 1 1 A 22 22 ARG CA C 22 56.480 56.465 0.015 1
1 223 . 17 1 1 A 22 22 ARG CB C 22 30.000 32.451 -2.451 1
1 226 . 17 1 1 A 22 22 ARG N N 22 117.459 122.143 -4.684 1
1 227 . 17 1 1 A 23 23 TRP H H 23 7.211 8.076 -0.865 1
1 228 . 17 1 1 A 23 23 TRP HA H 23 4.938 4.529 0.409 1
1 237 . 17 1 1 A 23 23 TRP CA C 23 55.206 58.946 -3.740 1
1 238 . 17 1 1 A 23 23 TRP CB C 23 30.772 28.116 2.656 1
1 244 . 17 1 1 A 23 23 TRP N N 23 118.844 118.206 0.638 1
1 246 . 17 1 1 A 24 24 SER H H 24 8.764 7.567 1.197 1
1 247 . 17 1 1 A 24 24 SER HA H 24 4.520 4.410 0.110 1
1 250 . 17 1 1 A 24 24 SER CA C 24 57.647 56.892 0.755 1
1 251 . 17 1 1 A 24 24 SER CB C 24 64.419 61.450 2.969 1
1 252 . 17 1 1 A 24 24 SER N N 24 117.454 116.417 1.037 1
1 253 . 17 1 1 A 25 25 GLU H H 25 8.976 8.428 0.548 1
1 254 . 17 1 1 A 25 25 GLU HA H 25 4.076 3.995 0.081 1
1 259 . 17 1 1 A 25 25 GLU CA C 25 59.360 58.762 0.598 1
1 260 . 17 1 1 A 25 25 GLU CB C 25 28.960 28.513 0.447 1
1 262 . 17 1 1 A 25 25 GLU N N 25 122.323 125.741 -3.418 1
1 263 . 17 1 1 A 26 26 ASP H H 26 8.608 8.074 0.534 1
1 264 . 17 1 1 A 26 26 ASP HA H 26 4.400 4.163 0.237 1
1 267 . 17 1 1 A 26 26 ASP CA C 26 56.327 57.427 -1.100 1
1 268 . 17 1 1 A 26 26 ASP CB C 26 40.700 40.374 0.326 1
1 269 . 17 1 1 A 26 26 ASP N N 26 118.165 120.296 -2.131 1
1 270 . 17 1 1 A 27 27 HIS H H 27 7.891 7.260 0.631 1
1 271 . 17 1 1 A 27 27 HIS HA H 27 4.247 4.347 -0.100 1
1 275 . 17 1 1 A 27 27 HIS CA C 27 58.271 59.406 -1.135 1
1 276 . 17 1 1 A 27 27 HIS CB C 27 30.483 29.526 0.957 1
1 278 . 17 1 1 A 27 27 HIS N N 27 120.183 118.556 1.627 1
1 279 . 17 1 1 A 28 28 ARG H H 28 8.676 7.959 0.717 1
1 280 . 17 1 1 A 28 28 ARG HA H 28 3.720 3.870 -0.150 1
1 287 . 17 1 1 A 28 28 ARG CA C 28 59.444 59.742 -0.298 1
1 288 . 17 1 1 A 28 28 ARG CB C 28 30.315 30.105 0.210 1
1 291 . 17 1 1 A 28 28 ARG N N 28 118.156 121.317 -3.161 1
1 292 . 17 1 1 A 29 29 SER H H 29 8.359 8.079 0.280 1
1 293 . 17 1 1 A 29 29 SER HA H 29 4.295 4.089 0.206 1
1 296 . 17 1 1 A 29 29 SER CA C 29 60.916 62.208 -1.292 1
1 297 . 17 1 1 A 29 29 SER CB C 29 62.629 62.955 -0.326 1
1 298 . 17 1 1 A 29 29 SER N N 29 115.374 117.036 -1.662 1
1 299 . 17 1 1 A 30 30 ARG H H 30 7.860 7.767 0.093 1
1 300 . 17 1 1 A 30 30 ARG HA H 30 3.850 4.208 -0.358 1
1 307 . 17 1 1 A 30 30 ARG CA C 30 59.162 58.622 0.540 1
1 308 . 17 1 1 A 30 30 ARG CB C 30 30.171 29.831 0.340 1
1 311 . 17 1 1 A 30 30 ARG N N 30 124.066 121.673 2.393 1
1 312 . 17 1 1 A 31 31 VAL H H 31 7.928 8.015 -0.087 1
1 313 . 17 1 1 A 31 31 VAL HA H 31 4.728 3.908 0.820 1
1 321 . 17 1 1 A 31 31 VAL CA C 31 66.054 65.556 0.498 1
1 322 . 17 1 1 A 31 31 VAL CB C 31 31.961 31.209 0.752 1
1 325 . 17 1 1 A 31 31 VAL N N 31 116.760 117.235 -0.475 1
1 326 . 17 1 1 A 32 32 LEU H H 32 7.314 7.801 -0.487 1
1 327 . 17 1 1 A 32 32 LEU HA H 32 3.867 3.983 -0.116 1
1 337 . 17 1 1 A 32 32 LEU CA C 32 57.406 58.682 -1.276 1
1 338 . 17 1 1 A 32 32 LEU CB C 32 40.912 41.806 -0.894 1
1 342 . 17 1 1 A 32 32 LEU N N 32 117.541 124.351 -6.810 1
1 343 . 17 1 1 A 33 33 ARG H H 33 7.914 8.274 -0.360 1
1 344 . 17 1 1 A 33 33 ARG HA H 33 4.070 4.111 -0.041 1
1 351 . 17 1 1 A 33 33 ARG CA C 33 58.815 58.914 -0.099 1
1 352 . 17 1 1 A 33 33 ARG CB C 33 29.393 29.917 -0.524 1
1 355 . 17 1 1 A 33 33 ARG N N 33 118.510 118.203 0.307 1
1 356 . 17 1 1 A 34 34 TYR H H 34 8.211 8.238 -0.027 1
1 357 . 17 1 1 A 34 34 TYR HA H 34 4.533 4.198 0.335 1
1 364 . 17 1 1 A 34 34 TYR CA C 34 59.593 61.034 -1.441 1
1 365 . 17 1 1 A 34 34 TYR CB C 34 37.021 38.761 -1.740 1
1 368 . 17 1 1 A 34 34 TYR N N 34 116.416 121.352 -4.936 1
1 369 . 17 1 1 A 35 35 LEU H H 35 7.904 8.013 -0.109 1
1 370 . 17 1 1 A 35 35 LEU HA H 35 3.670 3.963 -0.293 1
1 380 . 17 1 1 A 35 35 LEU CA C 35 57.967 58.161 -0.194 1
1 381 . 17 1 1 A 35 35 LEU CB C 35 40.740 41.373 -0.633 1
1 385 . 17 1 1 A 35 35 LEU N N 35 118.885 121.056 -2.171 1
1 386 . 17 1 1 A 36 36 GLU H H 36 8.662 8.279 0.383 1
1 387 . 17 1 1 A 36 36 GLU HA H 36 3.993 4.128 -0.135 1
1 392 . 17 1 1 A 36 36 GLU CA C 36 59.749 59.319 0.430 1
1 393 . 17 1 1 A 36 36 GLU CB C 36 29.887 29.306 0.581 1
1 395 . 17 1 1 A 36 36 GLU N N 36 120.936 118.710 2.226 1
1 396 . 17 1 1 A 37 37 LEU H H 37 8.195 7.620 0.575 1
1 397 . 17 1 1 A 37 37 LEU HA H 37 3.979 4.066 -0.087 1
1 407 . 17 1 1 A 37 37 LEU CA C 37 56.947 56.105 0.842 1
1 408 . 17 1 1 A 37 37 LEU CB C 37 42.936 42.095 0.841 1
1 412 . 17 1 1 A 37 37 LEU N N 37 116.413 119.177 -2.764 1
1 413 . 17 1 1 A 38 38 TYR H H 38 7.663 7.412 0.251 1
1 414 . 17 1 1 A 38 38 TYR HA H 38 4.951 4.508 0.443 1
1 421 . 17 1 1 A 38 38 TYR CA C 38 58.581 59.386 -0.805 1
1 422 . 17 1 1 A 38 38 TYR CB C 38 41.068 39.098 1.970 1
1 425 . 17 1 1 A 38 38 TYR N N 38 110.509 116.675 -6.166 1
1 426 . 17 1 1 A 39 39 ILE H H 39 7.833 7.539 0.294 1
1 427 . 17 1 1 A 39 39 ILE HA H 39 4.642 3.493 1.149 1
1 437 . 17 1 1 A 39 39 ILE CA C 39 60.000 64.699 -4.699 1
1 438 . 17 1 1 A 39 39 ILE CB C 39 37.111 37.827 -0.716 1
1 442 . 17 1 1 A 39 39 ILE N N 39 116.068 118.652 -2.584 1
1 443 . 17 1 1 A 40 40 PHE H H 40 9.117 8.205 0.912 1
1 444 . 17 1 1 A 40 40 PHE HA H 40 4.634 5.203 -0.569 1
1 452 . 17 1 1 A 40 40 PHE CA C 40 57.492 54.991 2.501 1
1 453 . 17 1 1 A 40 40 PHE CB C 40 34.374 39.057 -4.683 1
1 457 . 17 1 1 A 40 40 PHE N N 40 121.241 119.119 2.122 1
1 458 . 17 1 1 A 41 41 PRO HA H 41 4.388 4.986 -0.598 1
1 465 . 17 1 1 A 41 41 PRO CA C 41 66.132 65.997 0.135 1
1 466 . 17 1 1 A 41 41 PRO CB C 41 31.261 31.652 -0.391 1
1 469 . 17 1 1 A 42 42 HIS H H 42 7.153 8.248 -1.095 1
1 470 . 17 1 1 A 42 42 HIS HA H 42 4.678 4.638 0.040 1
1 474 . 17 1 1 A 42 42 HIS CA C 42 57.336 56.431 0.905 1
1 475 . 17 1 1 A 42 42 HIS CB C 42 32.895 31.518 1.377 1
1 477 . 17 1 1 A 42 42 HIS N N 42 111.205 114.618 -3.413 1
1 478 . 17 1 1 A 43 43 ILE H H 43 7.327 7.696 -0.369 1
1 479 . 17 1 1 A 43 43 ILE HA H 43 4.938 4.370 0.568 1
1 489 . 17 1 1 A 43 43 ILE CA C 43 60.527 60.807 -0.280 1
1 490 . 17 1 1 A 43 43 ILE CB C 43 40.445 38.024 2.421 1
1 494 . 17 1 1 A 43 43 ILE N N 43 105.996 110.673 -4.677 1
1 495 . 17 1 1 A 44 44 GLY H H 44 8.958 8.366 0.592 1
1 496 . 17 1 1 A 44 44 GLY HA2 H 44 4.340 3.964 0.376 1
1 497 . 17 1 1 A 44 44 GLY HA3 H 44 3.855 4.029 -0.174 1
1 498 . 17 1 1 A 44 44 GLY CA C 44 48.385 45.915 2.470 1
1 499 . 17 1 1 A 44 44 GLY N N 44 110.704 112.657 -1.953 1
1 500 . 17 1 1 A 45 45 SER H H 45 8.294 7.916 0.378 1
1 501 . 17 1 1 A 45 45 SER HA H 45 4.517 4.612 -0.095 1
1 504 . 17 1 1 A 45 45 SER CA C 45 58.270 58.298 -0.028 1
1 505 . 17 1 1 A 45 45 SER CB C 45 63.563 63.952 -0.389 1
1 506 . 17 1 1 A 45 45 SER N N 45 110.505 114.564 -4.059 1
1 507 . 17 1 1 A 46 46 SER H H 46 7.689 7.149 0.540 1
1 508 . 17 1 1 A 46 46 SER HA H 46 4.322 4.652 -0.330 1
1 511 . 17 1 1 A 46 46 SER CA C 46 59.282 58.599 0.683 1
1 512 . 17 1 1 A 46 46 SER CB C 46 63.719 63.898 -0.179 1
1 513 . 17 1 1 A 46 46 SER N N 46 119.190 118.715 0.475 1
1 514 . 17 1 1 A 47 47 ASP H H 47 8.646 8.446 0.200 1
1 515 . 17 1 1 A 47 47 ASP HA H 47 4.446 4.589 -0.143 1
1 518 . 17 1 1 A 47 47 ASP CA C 47 54.145 54.164 -0.019 1
1 519 . 17 1 1 A 47 47 ASP CB C 47 41.652 42.806 -1.154 1
1 520 . 17 1 1 A 47 47 ASP N N 47 124.868 124.981 -0.113 1
1 521 . 17 1 1 A 48 48 ILE H H 48 9.406 8.601 0.805 1
1 522 . 17 1 1 A 48 48 ILE HA H 48 4.091 3.898 0.193 1
1 532 . 17 1 1 A 48 48 ILE CA C 48 63.844 63.193 0.651 1
1 533 . 17 1 1 A 48 48 ILE CB C 48 39.845 38.267 1.578 1
1 537 . 17 1 1 A 48 48 ILE N N 48 129.573 126.231 3.342 1
1 538 . 17 1 1 A 49 49 ARG H H 49 9.004 8.383 0.621 1
1 539 . 17 1 1 A 49 49 ARG HA H 49 4.166 4.306 -0.140 1
1 546 . 17 1 1 A 49 49 ARG CA C 49 57.534 57.634 -0.100 1
1 547 . 17 1 1 A 49 49 ARG CB C 49 29.870 29.794 0.076 1
1 548 . 17 1 1 A 49 49 ARG N N 49 119.541 119.553 -0.012 1
1 549 . 17 1 1 A 50 50 GLN H H 50 7.868 7.890 -0.022 1
1 550 . 17 1 1 A 50 50 GLN HA H 50 4.498 4.554 -0.056 1
1 557 . 17 1 1 A 50 50 GLN CA C 50 54.633 54.880 -0.247 1
1 558 . 17 1 1 A 50 50 GLN CB C 50 29.548 28.776 0.772 1
1 560 . 17 1 1 A 50 50 GLN N N 50 114.374 120.167 -5.793 1
1 562 . 17 1 1 A 51 51 LEU H H 51 6.799 8.681 -1.882 1
1 563 . 17 1 1 A 51 51 LEU HA H 51 4.516 4.801 -0.285 1
1 573 . 17 1 1 A 51 51 LEU CA C 51 54.519 53.605 0.914 1
1 574 . 17 1 1 A 51 51 LEU CB C 51 43.014 43.796 -0.782 1
1 578 . 17 1 1 A 51 51 LEU N N 51 119.548 125.640 -6.092 1
1 579 . 17 1 1 A 52 52 LYS H H 52 10.373 8.492 1.881 1
1 580 . 17 1 1 A 52 52 LYS HA H 52 4.725 4.797 -0.072 1
1 589 . 17 1 1 A 52 52 LYS CA C 52 53.806 54.095 -0.289 1
1 590 . 17 1 1 A 52 52 LYS CB C 52 34.394 35.164 -0.770 1
1 594 . 17 1 1 A 52 52 LYS N N 52 125.943 120.431 5.512 1
1 595 . 17 1 1 A 53 53 THR H H 53 8.724 8.506 0.218 1
1 596 . 17 1 1 A 53 53 THR HA H 53 4.727 4.515 0.212 1
1 601 . 17 1 1 A 53 53 THR CA C 53 57.570 61.410 -3.840 1
1 602 . 17 1 1 A 53 53 THR CB C 53 68.467 69.548 -1.081 1
1 604 . 17 1 1 A 53 53 THR N N 53 117.533 115.878 1.655 1
1 605 . 17 1 1 A 54 54 SER H H 54 8.416 9.040 -0.624 1
1 606 . 17 1 1 A 54 54 SER HA H 54 4.743 4.153 0.590 1
1 609 . 17 1 1 A 54 54 SER CA C 54 61.306 61.690 -0.384 1
1 610 . 17 1 1 A 54 54 SER CB C 54 61.132 62.746 -1.614 1
1 611 . 17 1 1 A 54 54 SER N N 54 112.941 117.545 -4.604 1
1 612 . 17 1 1 A 55 55 HIS H H 55 7.077 7.719 -0.642 1
1 613 . 17 1 1 A 55 55 HIS HA H 55 4.425 4.332 0.093 1
1 617 . 17 1 1 A 55 55 HIS CA C 55 58.659 59.198 -0.539 1
1 618 . 17 1 1 A 55 55 HIS CB C 55 33.051 29.655 3.396 1
1 620 . 17 1 1 A 55 55 HIS N N 55 120.680 118.808 1.872 1
1 621 . 17 1 1 A 56 56 LEU H H 56 7.410 8.069 -0.659 1
1 622 . 17 1 1 A 56 56 LEU HA H 56 3.916 3.989 -0.073 1
1 632 . 17 1 1 A 56 56 LEU CA C 56 56.558 57.555 -0.997 1
1 633 . 17 1 1 A 56 56 LEU CB C 56 42.547 41.538 1.009 1
1 637 . 17 1 1 A 56 56 LEU N N 56 115.029 116.347 -1.318 1
1 638 . 17 1 1 A 57 57 LEU H H 57 7.906 7.869 0.037 1
1 639 . 17 1 1 A 57 57 LEU HA H 57 4.073 4.124 -0.051 1
1 649 . 17 1 1 A 57 57 LEU CA C 57 56.047 57.184 -1.137 1
1 650 . 17 1 1 A 57 57 LEU CB C 57 42.575 41.246 1.329 1
1 654 . 17 1 1 A 57 57 LEU N N 57 113.214 121.793 -8.579 1
1 655 . 17 1 1 A 58 58 ALA H H 58 7.367 8.099 -0.732 1
1 656 . 17 1 1 A 58 58 ALA HA H 58 4.176 4.116 0.060 1
1 660 . 17 1 1 A 58 58 ALA CA C 58 57.049 57.023 0.026 1
1 661 . 17 1 1 A 58 58 ALA CB C 58 15.362 17.316 -1.954 1
1 662 . 17 1 1 A 58 58 ALA N N 58 120.662 121.953 -1.291 1
1 663 . 17 1 1 A 59 59 PRO HA H 59 4.133 4.191 -0.058 1
1 670 . 17 1 1 A 59 59 PRO CA C 59 65.120 65.404 -0.284 1
1 671 . 17 1 1 A 59 59 PRO CB C 59 31.183 30.675 0.508 1
1 674 . 17 1 1 A 60 60 ILE H H 60 6.643 7.466 -0.823 1
1 675 . 17 1 1 A 60 60 ILE HA H 60 3.383 3.851 -0.468 1
1 685 . 17 1 1 A 60 60 ILE CA C 60 64.886 63.638 1.248 1
1 686 . 17 1 1 A 60 60 ILE CB C 60 37.799 37.047 0.752 1
1 690 . 17 1 1 A 60 60 ILE N N 60 117.809 116.675 1.134 1
1 691 . 17 1 1 A 61 61 LYS H H 61 8.635 8.278 0.357 1
1 692 . 17 1 1 A 61 61 LYS HA H 61 3.992 4.383 -0.391 1
1 701 . 17 1 1 A 61 61 LYS CA C 61 59.048 58.802 0.246 1
1 702 . 17 1 1 A 61 61 LYS CB C 61 31.678 31.546 0.132 1
1 706 . 17 1 1 A 61 61 LYS N N 61 120.585 120.903 -0.318 1
1 707 . 17 1 1 A 62 62 GLU H H 62 7.664 8.155 -0.491 1
1 708 . 17 1 1 A 62 62 GLU HA H 62 3.992 4.021 -0.029 1
1 713 . 17 1 1 A 62 62 GLU CA C 62 59.593 58.940 0.653 1
1 714 . 17 1 1 A 62 62 GLU CB C 62 28.975 29.500 -0.525 1
1 716 . 17 1 1 A 62 62 GLU N N 62 118.505 119.846 -1.341 1
1 717 . 17 1 1 A 63 63 VAL H H 63 7.227 7.900 -0.673 1
1 718 . 17 1 1 A 63 63 VAL HA H 63 3.545 3.675 -0.130 1
1 726 . 17 1 1 A 63 63 VAL CA C 63 65.663 66.493 -0.830 1
1 727 . 17 1 1 A 63 63 VAL CB C 63 31.650 31.473 0.177 1
1 730 . 17 1 1 A 63 63 VAL N N 63 119.540 120.416 -0.876 1
1 731 . 17 1 1 A 64 64 ASP H H 64 8.281 8.835 -0.554 1
1 732 . 17 1 1 A 64 64 ASP HA H 64 3.984 4.402 -0.418 1
1 735 . 17 1 1 A 64 64 ASP CA C 64 58.860 56.677 2.183 1
1 736 . 17 1 1 A 64 64 ASP CB C 64 42.561 39.608 2.953 1
1 737 . 17 1 1 A 64 64 ASP N N 64 122.316 119.869 2.447 1
1 738 . 17 1 1 A 65 65 THR H H 65 8.818 7.489 1.329 1
1 739 . 17 1 1 A 65 65 THR HA H 65 4.310 4.239 0.071 1
1 744 . 17 1 1 A 65 65 THR CA C 65 68.825 65.277 3.548 1
1 745 . 17 1 1 A 65 65 THR CB C 65 65.195 68.926 -3.731 1
1 747 . 17 1 1 A 65 65 THR N N 65 112.808 116.472 -3.664 1
1 748 . 17 1 1 A 66 66 SER H H 66 7.596 7.763 -0.167 1
1 749 . 17 1 1 A 66 66 SER HA H 66 4.469 4.461 0.008 1
1 752 . 17 1 1 A 66 66 SER CA C 66 59.827 61.288 -1.461 1
1 753 . 17 1 1 A 66 66 SER CB C 66 63.641 63.808 -0.167 1
1 754 . 17 1 1 A 66 66 SER N N 66 116.412 116.563 -0.151 1
1 755 . 17 1 1 A 67 67 GLY H H 67 7.781 8.368 -0.587 1
1 756 . 17 1 1 A 67 67 GLY HA2 H 67 4.467 4.085 0.382 1
1 757 . 17 1 1 A 67 67 GLY HA3 H 67 3.355 4.090 -0.735 1
1 758 . 17 1 1 A 67 67 GLY CA C 67 44.337 45.475 -1.138 1
1 759 . 17 1 1 A 67 67 GLY N N 67 108.565 107.817 0.748 1
1 760 . 17 1 1 A 68 68 LYS H H 68 6.932 7.888 -0.956 1
1 761 . 17 1 1 A 68 68 LYS HA H 68 4.706 4.125 0.581 1
1 770 . 17 1 1 A 68 68 LYS CA C 68 54.145 57.021 -2.876 1
1 771 . 17 1 1 A 68 68 LYS CB C 68 30.325 30.959 -0.634 1
1 775 . 17 1 1 A 68 68 LYS N N 68 121.979 114.328 7.651 1
1 776 . 17 1 1 A 69 69 HIS H H 69 7.630 8.017 -0.387 1
1 777 . 17 1 1 A 69 69 HIS HA H 69 4.544 4.261 0.283 1
1 780 . 17 1 1 A 69 69 HIS CA C 69 58.270 58.894 -0.624 1
1 781 . 17 1 1 A 69 69 HIS CB C 69 28.303 29.263 -0.960 1
1 782 . 17 1 1 A 69 69 HIS N N 69 119.617 123.048 -3.431 1
1 783 . 17 1 1 A 70 70 ASP H H 70 8.779 7.761 1.018 1
1 784 . 17 1 1 A 70 70 ASP HA H 70 4.330 4.143 0.187 1
1 787 . 17 1 1 A 70 70 ASP CA C 70 56.869 57.306 -0.437 1
1 788 . 17 1 1 A 70 70 ASP CB C 70 39.433 41.307 -1.874 1
1 789 . 17 1 1 A 70 70 ASP N N 70 118.586 121.237 -2.651 1
1 790 . 17 1 1 A 71 71 VAL H H 71 7.575 7.685 -0.110 1
1 791 . 17 1 1 A 71 71 VAL HA H 71 3.232 3.584 -0.352 1
1 799 . 17 1 1 A 71 71 VAL CA C 71 66.131 66.350 -0.219 1
1 800 . 17 1 1 A 71 71 VAL CB C 71 31.105 31.384 -0.279 1
1 803 . 17 1 1 A 71 71 VAL N N 71 121.186 119.076 2.110 1
1 804 . 17 1 1 A 72 72 ALA H H 72 8.022 8.336 -0.314 1
1 805 . 17 1 1 A 72 72 ALA HA H 72 3.682 3.951 -0.269 1
1 809 . 17 1 1 A 72 72 ALA CA C 72 55.702 55.901 -0.199 1
1 810 . 17 1 1 A 72 72 ALA CB C 72 18.028 18.663 -0.635 1
1 811 . 17 1 1 A 72 72 ALA N N 72 120.675 122.465 -1.790 1
1 812 . 17 1 1 A 73 73 GLN H H 73 7.793 8.594 -0.801 1
1 813 . 17 1 1 A 73 73 GLN HA H 73 3.971 4.016 -0.045 1
1 820 . 17 1 1 A 73 73 GLN CA C 73 58.872 59.059 -0.187 1
1 821 . 17 1 1 A 73 73 GLN CB C 73 28.073 28.497 -0.424 1
1 823 . 17 1 1 A 73 73 GLN N N 73 115.949 117.686 -1.737 1
1 825 . 17 1 1 A 74 74 ARG H H 74 7.795 7.416 0.379 1
1 826 . 17 1 1 A 74 74 ARG HA H 74 4.108 4.104 0.004 1
1 833 . 17 1 1 A 74 74 ARG CA C 74 59.282 58.625 0.657 1
1 834 . 17 1 1 A 74 74 ARG CB C 74 29.857 29.962 -0.105 1
1 837 . 17 1 1 A 74 74 ARG N N 74 119.896 120.096 -0.200 1
1 838 . 17 1 1 A 75 75 LEU H H 75 8.850 8.311 0.539 1
1 839 . 17 1 1 A 75 75 LEU HA H 75 3.935 4.081 -0.146 1
1 849 . 17 1 1 A 75 75 LEU CA C 75 57.803 57.993 -0.190 1
1 850 . 17 1 1 A 75 75 LEU CB C 75 42.858 41.752 1.106 1
1 854 . 17 1 1 A 75 75 LEU N N 75 118.044 120.921 -2.877 1
1 855 . 17 1 1 A 76 76 GLN H H 76 8.412 8.792 -0.380 1
1 856 . 17 1 1 A 76 76 GLN HA H 76 3.790 4.037 -0.247 1
1 861 . 17 1 1 A 76 76 GLN CA C 76 60.294 59.035 1.259 1
1 862 . 17 1 1 A 76 76 GLN CB C 76 27.995 27.960 0.035 1
1 864 . 17 1 1 A 76 76 GLN N N 76 119.109 117.208 1.901 1
1 865 . 17 1 1 A 77 77 GLN H H 77 7.788 8.370 -0.582 1
1 866 . 17 1 1 A 77 77 GLN HA H 77 4.090 4.067 0.023 1
1 873 . 17 1 1 A 77 77 GLN CA C 77 59.318 58.358 0.960 1
1 874 . 17 1 1 A 77 77 GLN CB C 77 28.054 28.442 -0.388 1
1 876 . 17 1 1 A 77 77 GLN N N 77 119.616 119.000 0.616 1
1 878 . 17 1 1 A 78 78 ARG H H 78 8.552 7.745 0.807 1
1 879 . 17 1 1 A 78 78 ARG HA H 78 4.171 3.973 0.198 1
1 886 . 17 1 1 A 78 78 ARG CA C 78 57.946 58.626 -0.680 1
1 887 . 17 1 1 A 78 78 ARG CB C 78 28.958 29.606 -0.648 1
1 890 . 17 1 1 A 78 78 ARG N N 78 118.044 119.962 -1.918 1
1 891 . 17 1 1 A 79 79 VAL H H 79 8.958 7.822 1.136 1
1 892 . 17 1 1 A 79 79 VAL HA H 79 3.603 3.756 -0.153 1
1 900 . 17 1 1 A 79 79 VAL CA C 79 67.284 65.902 1.382 1
1 901 . 17 1 1 A 79 79 VAL CB C 79 31.228 31.666 -0.438 1
1 904 . 17 1 1 A 79 79 VAL N N 79 116.998 119.984 -2.986 1
1 905 . 17 1 1 A 80 80 THR H H 80 7.938 7.694 0.244 1
1 906 . 17 1 1 A 80 80 THR HA H 80 4.301 3.912 0.389 1
1 911 . 17 1 1 A 80 80 THR CA C 80 67.976 66.297 1.679 1
1 912 . 17 1 1 A 80 80 THR CB C 80 67.466 68.261 -0.795 1
1 914 . 17 1 1 A 80 80 THR N N 80 115.701 116.468 -0.767 1
1 915 . 17 1 1 A 81 81 ALA H H 81 7.656 7.832 -0.176 1
1 916 . 17 1 1 A 81 81 ALA HA H 81 4.070 3.982 0.088 1
1 920 . 17 1 1 A 81 81 ALA CA C 81 55.232 54.740 0.492 1
1 921 . 17 1 1 A 81 81 ALA CB C 81 18.087 18.139 -0.052 1
1 922 . 17 1 1 A 81 81 ALA N N 81 124.407 122.896 1.511 1
1 923 . 17 1 1 A 82 82 ILE H H 82 7.901 7.352 0.549 1
1 924 . 17 1 1 A 82 82 ILE HA H 82 2.733 3.470 -0.737 1
1 934 . 17 1 1 A 82 82 ILE CA C 82 65.450 65.044 0.406 1
1 935 . 17 1 1 A 82 82 ILE CB C 82 37.569 37.794 -0.225 1
1 939 . 17 1 1 A 82 82 ILE N N 82 121.196 119.326 1.870 1
1 940 . 17 1 1 A 83 83 MET H H 83 8.258 7.943 0.315 1
1 941 . 17 1 1 A 83 83 MET HA H 83 4.556 4.193 0.363 1
1 949 . 17 1 1 A 83 83 MET CA C 83 56.403 58.915 -2.512 1
1 950 . 17 1 1 A 83 83 MET CB C 83 29.782 32.418 -2.636 1
1 953 . 17 1 1 A 83 83 MET N N 83 120.154 118.385 1.769 1
1 954 . 17 1 1 A 84 84 ARG H H 84 7.915 7.679 0.236 1
1 955 . 17 1 1 A 84 84 ARG HA H 84 4.039 3.963 0.076 1
1 962 . 17 1 1 A 84 84 ARG CA C 84 59.749 59.328 0.421 1
1 963 . 17 1 1 A 84 84 ARG CB C 84 30.000 30.085 -0.085 1
1 966 . 17 1 1 A 84 84 ARG N N 84 116.534 120.834 -4.300 1
1 967 . 17 1 1 A 85 85 TYR H H 85 8.221 8.106 0.115 1
1 968 . 17 1 1 A 85 85 TYR HA H 85 4.255 4.380 -0.125 1
1 975 . 17 1 1 A 85 85 TYR CA C 85 61.382 61.919 -0.537 1
1 976 . 17 1 1 A 85 85 TYR CB C 85 38.499 38.831 -0.332 1
1 979 . 17 1 1 A 85 85 TYR N N 85 122.313 121.091 1.222 1
1 980 . 17 1 1 A 86 86 ALA H H 86 8.804 8.636 0.168 1
1 981 . 17 1 1 A 86 86 ALA HA H 86 4.223 4.582 -0.359 1
1 985 . 17 1 1 A 86 86 ALA CA C 86 55.043 55.368 -0.325 1
1 986 . 17 1 1 A 86 86 ALA CB C 86 18.087 18.538 -0.451 1
1 987 . 17 1 1 A 86 86 ALA N N 86 123.291 122.199 1.092 1
1 988 . 17 1 1 A 87 87 VAL H H 87 8.113 7.936 0.177 1
1 989 . 17 1 1 A 87 87 VAL HA H 87 4.170 3.511 0.659 1
1 997 . 17 1 1 A 87 87 VAL CA C 87 65.146 66.786 -1.640 1
1 998 . 17 1 1 A 87 87 VAL CB C 87 31.897 31.542 0.355 1
1 1001 . 17 1 1 A 87 87 VAL N N 87 120.144 117.658 2.486 1
1 1002 . 17 1 1 A 88 88 GLN H H 88 8.458 7.961 0.497 1
1 1003 . 17 1 1 A 88 88 GLN HA H 88 3.983 3.942 0.041 1
1 1010 . 17 1 1 A 88 88 GLN CA C 88 58.270 58.712 -0.442 1
1 1011 . 17 1 1 A 88 88 GLN CB C 88 28.075 28.352 -0.277 1
1 1013 . 17 1 1 A 88 88 GLN N N 88 120.751 119.777 0.974 1
1 1015 . 17 1 1 A 89 89 ASN H H 89 7.359 7.736 -0.377 1
1 1016 . 17 1 1 A 89 89 ASN HA H 89 4.486 4.631 -0.145 1
1 1021 . 17 1 1 A 89 89 ASN CA C 89 53.444 52.559 0.885 1
1 1022 . 17 1 1 A 89 89 ASN CB C 89 38.932 38.129 0.803 1
1 1023 . 17 1 1 A 89 89 ASN N N 89 113.850 114.464 -0.614 1
1 1025 . 17 1 1 A 90 90 ASP H H 90 7.849 7.929 -0.080 1
1 1026 . 17 1 1 A 90 90 ASP HA H 90 4.387 4.237 0.150 1
1 1029 . 17 1 1 A 90 90 ASP CA C 90 55.935 55.171 0.764 1
1 1030 . 17 1 1 A 90 90 ASP CB C 90 38.811 38.668 0.143 1
1 1031 . 17 1 1 A 90 90 ASP N N 90 113.293 115.833 -2.540 1
1 1032 . 17 1 1 A 91 91 TYR H H 91 8.489 8.631 -0.142 1
1 1033 . 17 1 1 A 91 91 TYR HA H 91 4.589 4.586 0.003 1
1 1040 . 17 1 1 A 91 91 TYR CA C 91 60.000 59.218 0.782 1
1 1041 . 17 1 1 A 91 91 TYR CB C 91 38.811 40.338 -1.527 1
1 1044 . 17 1 1 A 91 91 TYR N N 91 116.072 116.167 -0.095 1
1 1045 . 17 1 1 A 92 92 ILE H H 92 7.131 7.069 0.062 1
1 1046 . 17 1 1 A 92 92 ILE HA H 92 4.684 4.727 -0.043 1
1 1056 . 17 1 1 A 92 92 ILE CA C 92 59.126 58.668 0.458 1
1 1057 . 17 1 1 A 92 92 ILE CB C 92 41.846 41.077 0.769 1
1 1061 . 17 1 1 A 92 92 ILE N N 92 107.409 116.278 -8.869 1
1 1062 . 17 1 1 A 93 93 ASP H H 93 8.731 8.626 0.105 1
1 1063 . 17 1 1 A 93 93 ASP HA H 93 4.707 4.857 -0.150 1
1 1066 . 17 1 1 A 93 93 ASP CA C 93 54.689 55.190 -0.501 1
1 1067 . 17 1 1 A 93 93 ASP CB C 93 41.924 42.857 -0.933 1
1 1068 . 17 1 1 A 93 93 ASP N N 93 118.847 121.191 -2.344 1
1 1069 . 17 1 1 A 94 94 SER H H 94 7.638 7.876 -0.238 1
1 1070 . 17 1 1 A 94 94 SER HA H 94 4.491 4.740 -0.249 1
1 1073 . 17 1 1 A 94 94 SER CA C 94 57.102 58.456 -1.354 1
1 1074 . 17 1 1 A 94 94 SER CB C 94 64.186 64.716 -0.530 1
1 1075 . 17 1 1 A 94 94 SER N N 94 112.240 116.151 -3.911 1
1 1076 . 17 1 1 A 95 95 ASN H H 95 8.801 8.729 0.072 1
1 1077 . 17 1 1 A 95 95 ASN HA H 95 4.942 5.456 -0.514 1
1 1082 . 17 1 1 A 95 95 ASN CA C 95 49.941 50.442 -0.501 1
1 1083 . 17 1 1 A 95 95 ASN CB C 95 39.356 39.270 0.086 1
1 1084 . 17 1 1 A 95 95 ASN N N 95 119.551 122.840 -3.289 1
1 1086 . 17 1 1 A 96 96 PRO HA H 96 4.632 4.363 0.269 1
1 1093 . 17 1 1 A 96 96 PRO CA C 96 63.564 65.811 -2.247 1
1 1094 . 17 1 1 A 96 96 PRO CB C 96 32.058 31.672 0.386 1
1 1097 . 17 1 1 A 97 97 ALA H H 97 8.335 8.217 0.118 1
1 1098 . 17 1 1 A 97 97 ALA HA H 97 4.436 4.448 -0.012 1
1 1102 . 17 1 1 A 97 97 ALA CA C 97 52.055 51.056 0.999 1
1 1103 . 17 1 1 A 97 97 ALA CB C 97 18.998 17.470 1.528 1
1 1104 . 17 1 1 A 97 97 ALA N N 97 121.226 119.194 2.032 1
1 1105 . 17 1 1 A 98 98 SER H H 98 7.600 8.757 -1.157 1
1 1106 . 17 1 1 A 98 98 SER HA H 98 4.168 4.573 -0.405 1
1 1109 . 17 1 1 A 98 98 SER CA C 98 60.372 60.172 0.200 1
1 1110 . 17 1 1 A 98 98 SER CB C 98 63.018 63.785 -0.767 1
1 1111 . 17 1 1 A 98 98 SER N N 98 114.935 118.402 -3.467 1
1 1112 . 17 1 1 A 99 99 ASP H H 99 8.098 8.100 -0.002 1
1 1113 . 17 1 1 A 99 99 ASP HA H 99 4.760 4.872 -0.112 1
1 1116 . 17 1 1 A 99 99 ASP CA C 99 54.300 52.439 1.861 1
1 1117 . 17 1 1 A 99 99 ASP CB C 99 40.835 40.904 -0.069 1
1 1118 . 17 1 1 A 99 99 ASP N N 99 119.889 119.790 0.099 1
1 1119 . 17 1 1 A 100 100 MET H H 100 7.885 8.524 -0.639 1
1 1120 . 17 1 1 A 100 100 MET HA H 100 4.205 5.243 -1.038 1
1 1128 . 17 1 1 A 100 100 MET CA C 100 57.025 54.906 2.119 1
1 1129 . 17 1 1 A 100 100 MET CB C 100 33.038 32.207 0.831 1
1 1132 . 17 1 1 A 100 100 MET N N 100 119.185 122.819 -3.634 1
1 1133 . 17 1 1 A 101 101 ALA H H 101 8.041 7.565 0.476 1
1 1134 . 17 1 1 A 101 101 ALA HA H 101 4.137 4.440 -0.303 1
1 1138 . 17 1 1 A 101 101 ALA CA C 101 53.655 50.843 2.812 1
1 1139 . 17 1 1 A 101 101 ALA CB C 101 18.537 17.941 0.596 1
1 1140 . 17 1 1 A 101 101 ALA N N 101 122.264 122.924 -0.660 1
1 1141 . 17 1 1 A 102 102 GLY H H 102 8.293 7.993 0.300 1
1 1142 . 17 1 1 A 102 102 GLY HA2 H 102 3.910 4.057 -0.147 1
1 1143 . 17 1 1 A 102 102 GLY HA3 H 102 3.913 4.060 -0.147 1
1 1144 . 17 1 1 A 102 102 GLY CA C 102 45.664 45.492 0.172 1
1 1145 . 17 1 1 A 102 102 GLY N N 102 107.557 108.782 -1.225 1
1 1146 . 17 1 1 A 103 103 ALA H H 103 7.955 7.875 0.080 1
1 1147 . 17 1 1 A 103 103 ALA HA H 103 4.235 4.272 -0.037 1
1 1151 . 17 1 1 A 103 103 ALA CA C 103 53.423 53.130 0.293 1
1 1152 . 17 1 1 A 103 103 ALA CB C 103 19.219 19.022 0.197 1
1 1153 . 17 1 1 A 103 103 ALA N N 103 123.285 122.179 1.106 1
1 1154 . 17 1 1 A 104 104 LEU H H 104 8.145 7.733 0.412 1
1 1155 . 17 1 1 A 104 104 LEU HA H 104 4.301 4.335 -0.034 1
1 1165 . 17 1 1 A 104 104 LEU CA C 104 55.312 55.568 -0.256 1
1 1166 . 17 1 1 A 104 104 LEU CB C 104 41.644 43.600 -1.956 1
1 1170 . 17 1 1 A 104 104 LEU N N 104 118.570 114.851 3.719 1
1 1171 . 17 1 1 A 105 105 SER H H 105 8.040 8.073 -0.033 1
1 1172 . 17 1 1 A 105 105 SER HA H 105 4.390 4.118 0.272 1
1 1175 . 17 1 1 A 105 105 SER CA C 105 58.893 59.028 -0.135 1
1 1176 . 17 1 1 A 105 105 SER CB C 105 63.424 62.206 1.218 1
1 1177 . 17 1 1 A 105 105 SER N N 105 115.022 114.779 0.243 1
1 1178 . 17 1 1 A 106 106 THR H H 106 8.032 7.771 0.261 1
1 1179 . 17 1 1 A 106 106 THR HA H 106 4.293 4.088 0.205 1
1 1184 . 17 1 1 A 106 106 THR CA C 106 62.037 65.425 -3.388 1
1 1185 . 17 1 1 A 106 106 THR CB C 106 69.401 69.302 0.099 1
1 1187 . 17 1 1 A 106 106 THR N N 106 115.371 112.760 2.611 1
1 1188 . 17 1 1 A 107 107 THR H H 107 7.940 7.566 0.374 1
1 1189 . 17 1 1 A 107 107 THR HA H 107 4.296 4.380 -0.084 1
1 1194 . 17 1 1 A 107 107 THR CA C 107 61.539 62.713 -1.174 1
1 1195 . 17 1 1 A 107 107 THR CB C 107 61.610 70.264 -8.654 1
1 1197 . 17 1 1 A 107 107 THR N N 107 122.759 115.394 7.365 1
1 1198 . 17 1 1 A 108 108 LYS H H 108 8.240 8.458 -0.218 1
1 1199 . 17 1 1 A 108 108 LYS HA H 108 4.241 5.090 -0.849 1
1 1208 . 17 1 1 A 108 108 LYS CA C 108 56.324 54.340 1.984 1
1 1209 . 17 1 1 A 108 108 LYS CB C 108 32.817 36.209 -3.392 1
1 1213 . 17 1 1 A 108 108 LYS N N 108 124.773 124.194 0.579 1
1 1214 . 17 1 1 A 109 109 ALA H H 109 8.131 8.131 0.000 1
1 1215 . 17 1 1 A 109 109 ALA HA H 109 4.224 4.394 -0.170 1
1 1219 . 17 1 1 A 109 109 ALA CA C 109 52.432 52.921 -0.489 1
1 1220 . 17 1 1 A 109 109 ALA CB C 109 19.017 20.785 -1.768 1
1 1221 . 17 1 1 A 109 109 ALA N N 109 124.331 124.832 -0.501 1
1 1222 . 17 1 1 A 110 110 ARG H H 110 8.114 8.128 -0.014 1
1 1223 . 17 1 1 A 110 110 ARG HA H 110 4.191 4.136 0.055 1
1 1230 . 17 1 1 A 110 110 ARG CA C 110 56.013 58.260 -2.247 1
1 1231 . 17 1 1 A 110 110 ARG CB C 110 30.871 28.933 1.938 1
1 1234 . 17 1 1 A 110 110 ARG N N 110 119.544 115.607 3.937 1
1 1235 . 17 1 1 A 111 111 HIS H H 111 8.283 8.297 -0.014 1
1 1236 . 17 1 1 A 111 111 HIS HA H 111 4.604 5.130 -0.526 1
1 1240 . 17 1 1 A 111 111 HIS CA C 111 55.448 54.756 0.692 1
1 1241 . 17 1 1 A 111 111 HIS CB C 111 29.866 31.453 -1.587 1
1 1243 . 17 1 1 A 111 111 HIS N N 111 119.886 115.916 3.970 1
1 1244 . 17 1 1 A 112 112 TYR H H 112 8.179 8.932 -0.753 1
1 1245 . 17 1 1 A 112 112 TYR HA H 112 4.766 4.787 -0.021 1
1 1252 . 17 1 1 A 112 112 TYR CA C 112 55.701 56.138 -0.437 1
1 1253 . 17 1 1 A 112 112 TYR CB C 112 38.110 38.828 -0.718 1
1 1256 . 17 1 1 A 112 112 TYR N N 112 122.673 118.040 4.633 1
1 1257 . 17 1 1 A 113 113 PRO HA H 113 4.399 4.694 -0.295 1
1 1264 . 17 1 1 A 113 113 PRO CA C 113 63.097 62.794 0.303 1
1 1265 . 17 1 1 A 113 113 PRO CB C 113 31.684 32.992 -1.308 1
1 1268 . 17 1 1 A 114 114 LEU H H 114 8.225 8.468 -0.243 1
1 1269 . 17 1 1 A 114 114 LEU HA H 114 4.265 4.656 -0.391 1
1 1279 . 17 1 1 A 114 114 LEU CA C 114 55.069 53.892 1.177 1
1 1280 . 17 1 1 A 114 114 LEU CB C 114 42.104 42.572 -0.468 1
1 1284 . 17 1 1 A 114 114 LEU N N 114 121.625 120.927 0.698 1
1 1285 . 17 1 1 A 115 115 GLU H H 115 8.273 7.755 0.518 1
1 1286 . 17 1 1 A 115 115 GLU HA H 115 4.202 4.236 -0.034 1
1 1291 . 17 1 1 A 115 115 GLU CA C 115 56.402 57.076 -0.674 1
1 1292 . 17 1 1 A 115 115 GLU CB C 115 30.249 30.216 0.033 1
1 5 . 18 1 1 A 2 2 GLU HA H 2 4.399 4.352 0.047 1
1 10 . 18 1 1 A 2 2 GLU CA C 2 56.358 57.884 -1.526 1
1 11 . 18 1 1 A 2 2 GLU CB C 2 30.249 31.239 -0.990 1
1 13 . 18 1 1 A 3 3 ASN H H 3 8.699 8.113 0.586 1
1 14 . 18 1 1 A 3 3 ASN HA H 3 4.753 4.705 0.048 1
1 19 . 18 1 1 A 3 3 ASN CA C 3 53.211 55.443 -2.232 1
1 20 . 18 1 1 A 3 3 ASN CB C 3 38.733 37.264 1.469 1
1 21 . 18 1 1 A 3 3 ASN N N 3 120.234 117.358 2.876 1
1 23 . 18 1 1 A 4 4 SER H H 4 8.428 8.777 -0.349 1
1 24 . 18 1 1 A 4 4 SER HA H 4 4.395 5.126 -0.731 1
1 27 . 18 1 1 A 4 4 SER CA C 4 59.048 57.427 1.621 1
1 28 . 18 1 1 A 4 4 SER CB C 4 63.485 67.412 -3.927 1
1 29 . 18 1 1 A 4 4 SER N N 4 116.413 115.733 0.680 1
1 30 . 18 1 1 A 5 5 GLY H H 5 8.525 8.419 0.106 1
1 31 . 18 1 1 A 5 5 GLY HA2 H 5 3.970 4.402 -0.432 1
1 32 . 18 1 1 A 5 5 GLY HA3 H 5 3.969 4.423 -0.454 1
1 33 . 18 1 1 A 5 5 GLY CA C 5 45.717 44.752 0.965 1
1 34 . 18 1 1 A 5 5 GLY N N 5 111.196 108.860 2.336 1
1 35 . 18 1 1 A 6 6 ALA H H 6 7.941 8.780 -0.839 1
1 36 . 18 1 1 A 6 6 ALA HA H 6 4.206 4.915 -0.709 1
1 40 . 18 1 1 A 6 6 ALA CA C 6 52.988 51.099 1.889 1
1 41 . 18 1 1 A 6 6 ALA CB C 6 19.429 22.886 -3.457 1
1 42 . 18 1 1 A 6 6 ALA N N 6 123.277 124.294 -1.017 1
1 43 . 18 1 1 A 7 7 TYR H H 7 8.351 8.381 -0.030 1
1 44 . 18 1 1 A 7 7 TYR HA H 7 4.509 4.919 -0.410 1
1 51 . 18 1 1 A 7 7 TYR CA C 7 57.528 57.094 0.434 1
1 52 . 18 1 1 A 7 7 TYR CB C 7 39.356 39.540 -0.184 1
1 55 . 18 1 1 A 7 7 TYR N N 7 114.900 117.615 -2.715 1
1 56 . 18 1 1 A 8 8 THR H H 8 7.735 7.453 0.282 1
1 57 . 18 1 1 A 8 8 THR HA H 8 4.922 4.664 0.258 1
1 62 . 18 1 1 A 8 8 THR CA C 8 60.827 60.227 0.600 1
1 63 . 18 1 1 A 8 8 THR CB C 8 70.109 71.888 -1.779 1
1 65 . 18 1 1 A 8 8 THR N N 8 110.856 111.635 -0.779 1
1 66 . 18 1 1 A 9 9 PHE H H 9 8.816 9.241 -0.425 1
1 67 . 18 1 1 A 9 9 PHE HA H 9 3.825 4.132 -0.307 1
1 75 . 18 1 1 A 9 9 PHE CA C 9 62.935 62.064 0.871 1
1 76 . 18 1 1 A 9 9 PHE CB C 9 39.373 39.153 0.220 1
1 80 . 18 1 1 A 9 9 PHE N N 9 121.282 122.767 -1.485 1
1 81 . 18 1 1 A 10 10 GLU H H 10 9.741 8.136 1.605 1
1 82 . 18 1 1 A 10 10 GLU HA H 10 3.295 4.004 -0.709 1
1 87 . 18 1 1 A 10 10 GLU CA C 10 59.586 59.584 0.002 1
1 88 . 18 1 1 A 10 10 GLU CB C 10 28.453 29.539 -1.086 1
1 90 . 18 1 1 A 10 10 GLU N N 10 117.454 118.233 -0.779 1
1 91 . 18 1 1 A 11 11 THR H H 11 7.542 8.019 -0.477 1
1 92 . 18 1 1 A 11 11 THR HA H 11 3.667 3.828 -0.161 1
1 97 . 18 1 1 A 11 11 THR CA C 11 66.550 66.682 -0.132 1
1 98 . 18 1 1 A 11 11 THR CB C 11 66.557 67.950 -1.393 1
1 100 . 18 1 1 A 11 11 THR N N 11 115.970 117.081 -1.111 1
1 101 . 18 1 1 A 12 12 ILE H H 12 7.724 7.502 0.222 1
1 102 . 18 1 1 A 12 12 ILE HA H 12 3.561 3.519 0.042 1
1 112 . 18 1 1 A 12 12 ILE CA C 12 63.395 65.340 -1.945 1
1 113 . 18 1 1 A 12 12 ILE CB C 12 36.233 38.068 -1.835 1
1 117 . 18 1 1 A 12 12 ILE N N 12 122.235 121.944 0.291 1
1 118 . 18 1 1 A 13 13 ALA H H 13 9.099 7.590 1.509 1
1 119 . 18 1 1 A 13 13 ALA HA H 13 3.975 3.697 0.278 1
1 123 . 18 1 1 A 13 13 ALA CA C 13 55.666 54.708 0.958 1
1 124 . 18 1 1 A 13 13 ALA CB C 13 20.126 17.811 2.315 1
1 125 . 18 1 1 A 13 13 ALA N N 13 122.259 121.911 0.348 1
1 126 . 18 1 1 A 14 14 ARG H H 14 8.600 8.198 0.402 1
1 127 . 18 1 1 A 14 14 ARG HA H 14 4.097 3.816 0.281 1
1 134 . 18 1 1 A 14 14 ARG CA C 14 60.889 59.124 1.765 1
1 135 . 18 1 1 A 14 14 ARG CB C 14 29.000 29.548 -0.548 1
1 138 . 18 1 1 A 14 14 ARG N N 14 116.993 118.641 -1.648 1
1 139 . 18 1 1 A 15 15 GLU H H 15 7.924 7.722 0.202 1
1 140 . 18 1 1 A 15 15 GLU HA H 15 4.085 3.945 0.140 1
1 145 . 18 1 1 A 15 15 GLU CA C 15 59.312 59.309 0.003 1
1 146 . 18 1 1 A 15 15 GLU CB C 15 29.866 29.475 0.391 1
1 148 . 18 1 1 A 15 15 GLU N N 15 122.758 118.395 4.363 1
1 149 . 18 1 1 A 16 16 TRP H H 16 8.864 7.804 1.060 1
1 150 . 18 1 1 A 16 16 TRP HA H 16 4.740 4.446 0.294 1
1 158 . 18 1 1 A 16 16 TRP CA C 16 60.839 59.161 1.678 1
1 159 . 18 1 1 A 16 16 TRP CB C 16 26.693 28.099 -1.406 1
1 163 . 18 1 1 A 16 16 TRP N N 16 122.323 120.135 2.188 1
1 165 . 18 1 1 A 17 17 HIS H H 17 8.803 6.947 1.856 1
1 166 . 18 1 1 A 17 17 HIS HA H 17 3.076 4.197 -1.121 1
1 170 . 18 1 1 A 17 17 HIS CA C 17 60.683 59.761 0.922 1
1 171 . 18 1 1 A 17 17 HIS CB C 17 30.772 29.208 1.564 1
1 173 . 18 1 1 A 17 17 HIS N N 17 121.293 120.619 0.674 1
1 174 . 18 1 1 A 18 18 GLU H H 18 7.897 7.846 0.051 1
1 175 . 18 1 1 A 18 18 GLU HA H 18 3.837 4.182 -0.345 1
1 180 . 18 1 1 A 18 18 GLU CA C 18 57.506 58.416 -0.910 1
1 181 . 18 1 1 A 18 18 GLU CB C 18 29.421 29.564 -0.143 1
1 183 . 18 1 1 A 18 18 GLU N N 18 118.162 119.929 -1.767 1
1 184 . 18 1 1 A 19 19 SER H H 19 7.461 7.806 -0.345 1
1 185 . 18 1 1 A 19 19 SER HA H 19 4.150 4.794 -0.644 1
1 188 . 18 1 1 A 19 19 SER CA C 19 60.000 57.761 2.239 1
1 189 . 18 1 1 A 19 19 SER CB C 19 63.329 64.105 -0.776 1
1 190 . 18 1 1 A 19 19 SER N N 19 112.802 109.815 2.987 1
1 191 . 18 1 1 A 20 20 ASN H H 20 6.638 7.684 -1.046 1
1 192 . 18 1 1 A 20 20 ASN HA H 20 4.226 4.798 -0.572 1
1 195 . 18 1 1 A 20 20 ASN CA C 20 53.211 51.302 1.909 1
1 196 . 18 1 1 A 20 20 ASN CB C 20 37.021 40.405 -3.384 1
1 197 . 18 1 1 A 20 20 ASN N N 20 121.098 121.487 -0.389 1
1 198 . 18 1 1 A 21 21 LYS H H 21 8.010 8.632 -0.622 1
1 199 . 18 1 1 A 21 21 LYS HA H 21 4.077 3.836 0.241 1
1 208 . 18 1 1 A 21 21 LYS CA C 21 56.558 59.274 -2.716 1
1 209 . 18 1 1 A 21 21 LYS CB C 21 32.435 32.443 -0.008 1
1 213 . 18 1 1 A 21 21 LYS N N 21 122.666 122.751 -0.085 1
1 214 . 18 1 1 A 22 22 ARG H H 22 8.007 7.431 0.576 1
1 215 . 18 1 1 A 22 22 ARG HA H 22 4.257 4.021 0.236 1
1 222 . 18 1 1 A 22 22 ARG CA C 22 56.480 54.193 2.287 1
1 223 . 18 1 1 A 22 22 ARG CB C 22 30.000 33.171 -3.171 1
1 226 . 18 1 1 A 22 22 ARG N N 22 117.459 114.061 3.398 1
1 227 . 18 1 1 A 23 23 TRP H H 23 7.211 7.521 -0.310 1
1 228 . 18 1 1 A 23 23 TRP HA H 23 4.938 4.565 0.373 1
1 237 . 18 1 1 A 23 23 TRP CA C 23 55.206 58.457 -3.251 1
1 238 . 18 1 1 A 23 23 TRP CB C 23 30.772 30.279 0.493 1
1 244 . 18 1 1 A 23 23 TRP N N 23 118.844 123.420 -4.576 1
1 246 . 18 1 1 A 24 24 SER H H 24 8.764 9.505 -0.741 1
1 247 . 18 1 1 A 24 24 SER HA H 24 4.520 5.043 -0.523 1
1 250 . 18 1 1 A 24 24 SER CA C 24 57.647 57.762 -0.115 1
1 251 . 18 1 1 A 24 24 SER CB C 24 64.419 64.684 -0.265 1
1 252 . 18 1 1 A 24 24 SER N N 24 117.454 119.157 -1.703 1
1 253 . 18 1 1 A 25 25 GLU H H 25 8.976 8.322 0.654 1
1 254 . 18 1 1 A 25 25 GLU HA H 25 4.076 4.108 -0.032 1
1 259 . 18 1 1 A 25 25 GLU CA C 25 59.360 59.362 -0.002 1
1 260 . 18 1 1 A 25 25 GLU CB C 25 28.960 29.127 -0.167 1
1 262 . 18 1 1 A 25 25 GLU N N 25 122.323 121.538 0.785 1
1 263 . 18 1 1 A 26 26 ASP H H 26 8.608 8.032 0.576 1
1 264 . 18 1 1 A 26 26 ASP HA H 26 4.400 4.308 0.092 1
1 267 . 18 1 1 A 26 26 ASP CA C 26 56.327 57.080 -0.753 1
1 268 . 18 1 1 A 26 26 ASP CB C 26 40.700 40.957 -0.257 1
1 269 . 18 1 1 A 26 26 ASP N N 26 118.165 120.538 -2.373 1
1 270 . 18 1 1 A 27 27 HIS H H 27 7.891 7.692 0.199 1
1 271 . 18 1 1 A 27 27 HIS HA H 27 4.247 4.382 -0.135 1
1 275 . 18 1 1 A 27 27 HIS CA C 27 58.271 59.321 -1.050 1
1 276 . 18 1 1 A 27 27 HIS CB C 27 30.483 29.800 0.683 1
1 278 . 18 1 1 A 27 27 HIS N N 27 120.183 117.947 2.236 1
1 279 . 18 1 1 A 28 28 ARG H H 28 8.676 8.774 -0.098 1
1 280 . 18 1 1 A 28 28 ARG HA H 28 3.720 3.941 -0.221 1
1 287 . 18 1 1 A 28 28 ARG CA C 28 59.444 59.891 -0.447 1
1 288 . 18 1 1 A 28 28 ARG CB C 28 30.315 30.120 0.195 1
1 291 . 18 1 1 A 28 28 ARG N N 28 118.156 121.283 -3.127 1
1 292 . 18 1 1 A 29 29 SER H H 29 8.359 7.703 0.656 1
1 293 . 18 1 1 A 29 29 SER HA H 29 4.295 4.098 0.197 1
1 296 . 18 1 1 A 29 29 SER CA C 29 60.916 62.168 -1.252 1
1 297 . 18 1 1 A 29 29 SER CB C 29 62.629 62.810 -0.181 1
1 298 . 18 1 1 A 29 29 SER N N 29 115.374 117.038 -1.664 1
1 299 . 18 1 1 A 30 30 ARG H H 30 7.860 7.648 0.212 1
1 300 . 18 1 1 A 30 30 ARG HA H 30 3.850 4.164 -0.314 1
1 307 . 18 1 1 A 30 30 ARG CA C 30 59.162 59.084 0.078 1
1 308 . 18 1 1 A 30 30 ARG CB C 30 30.171 30.531 -0.360 1
1 311 . 18 1 1 A 30 30 ARG N N 30 124.066 121.994 2.072 1
1 312 . 18 1 1 A 31 31 VAL H H 31 7.928 7.764 0.164 1
1 313 . 18 1 1 A 31 31 VAL HA H 31 4.728 3.646 1.082 1
1 321 . 18 1 1 A 31 31 VAL CA C 31 66.054 66.504 -0.450 1
1 322 . 18 1 1 A 31 31 VAL CB C 31 31.961 31.415 0.546 1
1 325 . 18 1 1 A 31 31 VAL N N 31 116.760 119.918 -3.158 1
1 326 . 18 1 1 A 32 32 LEU H H 32 7.314 8.609 -1.295 1
1 327 . 18 1 1 A 32 32 LEU HA H 32 3.867 4.040 -0.173 1
1 337 . 18 1 1 A 32 32 LEU CA C 32 57.406 58.664 -1.258 1
1 338 . 18 1 1 A 32 32 LEU CB C 32 40.912 41.466 -0.554 1
1 342 . 18 1 1 A 32 32 LEU N N 32 117.541 120.396 -2.855 1
1 343 . 18 1 1 A 33 33 ARG H H 33 7.914 7.963 -0.049 1
1 344 . 18 1 1 A 33 33 ARG HA H 33 4.070 3.778 0.292 1
1 351 . 18 1 1 A 33 33 ARG CA C 33 58.815 59.709 -0.894 1
1 352 . 18 1 1 A 33 33 ARG CB C 33 29.393 29.700 -0.307 1
1 355 . 18 1 1 A 33 33 ARG N N 33 118.510 119.697 -1.187 1
1 356 . 18 1 1 A 34 34 TYR H H 34 8.211 7.919 0.292 1
1 357 . 18 1 1 A 34 34 TYR HA H 34 4.533 4.420 0.113 1
1 364 . 18 1 1 A 34 34 TYR CA C 34 59.593 61.452 -1.859 1
1 365 . 18 1 1 A 34 34 TYR CB C 34 37.021 38.838 -1.817 1
1 368 . 18 1 1 A 34 34 TYR N N 34 116.416 121.470 -5.054 1
1 369 . 18 1 1 A 35 35 LEU H H 35 7.904 8.488 -0.584 1
1 370 . 18 1 1 A 35 35 LEU HA H 35 3.670 4.149 -0.479 1
1 380 . 18 1 1 A 35 35 LEU CA C 35 57.967 58.369 -0.402 1
1 381 . 18 1 1 A 35 35 LEU CB C 35 40.740 41.491 -0.751 1
1 385 . 18 1 1 A 35 35 LEU N N 35 118.885 119.529 -0.644 1
1 386 . 18 1 1 A 36 36 GLU H H 36 8.662 8.426 0.236 1
1 387 . 18 1 1 A 36 36 GLU HA H 36 3.993 4.472 -0.479 1
1 392 . 18 1 1 A 36 36 GLU CA C 36 59.749 59.502 0.247 1
1 393 . 18 1 1 A 36 36 GLU CB C 36 29.887 29.462 0.425 1
1 395 . 18 1 1 A 36 36 GLU N N 36 120.936 119.641 1.295 1
1 396 . 18 1 1 A 37 37 LEU H H 37 8.195 7.766 0.429 1
1 397 . 18 1 1 A 37 37 LEU HA H 37 3.979 4.110 -0.131 1
1 407 . 18 1 1 A 37 37 LEU CA C 37 56.947 57.497 -0.550 1
1 408 . 18 1 1 A 37 37 LEU CB C 37 42.936 42.125 0.811 1
1 412 . 18 1 1 A 37 37 LEU N N 37 116.413 120.483 -4.070 1
1 413 . 18 1 1 A 38 38 TYR H H 38 7.663 7.635 0.028 1
1 414 . 18 1 1 A 38 38 TYR HA H 38 4.951 4.350 0.601 1
1 421 . 18 1 1 A 38 38 TYR CA C 38 58.581 60.430 -1.849 1
1 422 . 18 1 1 A 38 38 TYR CB C 38 41.068 38.915 2.153 1
1 425 . 18 1 1 A 38 38 TYR N N 38 110.509 116.883 -6.374 1
1 426 . 18 1 1 A 39 39 ILE H H 39 7.833 8.081 -0.248 1
1 427 . 18 1 1 A 39 39 ILE HA H 39 4.642 3.941 0.701 1
1 437 . 18 1 1 A 39 39 ILE CA C 39 60.000 62.279 -2.279 1
1 438 . 18 1 1 A 39 39 ILE CB C 39 37.111 38.653 -1.542 1
1 442 . 18 1 1 A 39 39 ILE N N 39 116.068 118.839 -2.771 1
1 443 . 18 1 1 A 40 40 PHE H H 40 9.117 7.428 1.689 1
1 444 . 18 1 1 A 40 40 PHE HA H 40 4.634 5.104 -0.470 1
1 452 . 18 1 1 A 40 40 PHE CA C 40 57.492 54.855 2.637 1
1 453 . 18 1 1 A 40 40 PHE CB C 40 34.374 38.141 -3.767 1
1 457 . 18 1 1 A 40 40 PHE N N 40 121.241 119.734 1.507 1
1 458 . 18 1 1 A 41 41 PRO HA H 41 4.388 4.359 0.029 1
1 465 . 18 1 1 A 41 41 PRO CA C 41 66.132 65.865 0.267 1
1 466 . 18 1 1 A 41 41 PRO CB C 41 31.261 31.466 -0.205 1
1 469 . 18 1 1 A 42 42 HIS H H 42 7.153 7.629 -0.476 1
1 470 . 18 1 1 A 42 42 HIS HA H 42 4.678 4.459 0.219 1
1 474 . 18 1 1 A 42 42 HIS CA C 42 57.336 58.733 -1.397 1
1 475 . 18 1 1 A 42 42 HIS CB C 42 32.895 30.623 2.272 1
1 477 . 18 1 1 A 42 42 HIS N N 42 111.205 116.168 -4.963 1
1 478 . 18 1 1 A 43 43 ILE H H 43 7.327 7.957 -0.630 1
1 479 . 18 1 1 A 43 43 ILE HA H 43 4.938 4.221 0.717 1
1 489 . 18 1 1 A 43 43 ILE CA C 43 60.527 61.444 -0.917 1
1 490 . 18 1 1 A 43 43 ILE CB C 43 40.445 37.534 2.911 1
1 494 . 18 1 1 A 43 43 ILE N N 43 105.996 113.783 -7.787 1
1 495 . 18 1 1 A 44 44 GLY H H 44 8.958 8.387 0.571 1
1 496 . 18 1 1 A 44 44 GLY HA2 H 44 4.340 3.985 0.355 1
1 497 . 18 1 1 A 44 44 GLY HA3 H 44 3.855 4.025 -0.170 1
1 498 . 18 1 1 A 44 44 GLY CA C 44 48.385 46.151 2.234 1
1 499 . 18 1 1 A 44 44 GLY N N 44 110.704 112.915 -2.211 1
1 500 . 18 1 1 A 45 45 SER H H 45 8.294 7.915 0.379 1
1 501 . 18 1 1 A 45 45 SER HA H 45 4.517 4.634 -0.117 1
1 504 . 18 1 1 A 45 45 SER CA C 45 58.270 58.164 0.106 1
1 505 . 18 1 1 A 45 45 SER CB C 45 63.563 63.754 -0.191 1
1 506 . 18 1 1 A 45 45 SER N N 45 110.505 114.374 -3.869 1
1 507 . 18 1 1 A 46 46 SER H H 46 7.689 7.444 0.245 1
1 508 . 18 1 1 A 46 46 SER HA H 46 4.322 4.681 -0.359 1
1 511 . 18 1 1 A 46 46 SER CA C 46 59.282 58.884 0.398 1
1 512 . 18 1 1 A 46 46 SER CB C 46 63.719 64.070 -0.351 1
1 513 . 18 1 1 A 46 46 SER N N 46 119.190 118.956 0.234 1
1 514 . 18 1 1 A 47 47 ASP H H 47 8.646 8.526 0.120 1
1 515 . 18 1 1 A 47 47 ASP HA H 47 4.446 4.863 -0.417 1
1 518 . 18 1 1 A 47 47 ASP CA C 47 54.145 54.194 -0.049 1
1 519 . 18 1 1 A 47 47 ASP CB C 47 41.652 42.661 -1.009 1
1 520 . 18 1 1 A 47 47 ASP N N 47 124.868 124.941 -0.073 1
1 521 . 18 1 1 A 48 48 ILE H H 48 9.406 8.683 0.723 1
1 522 . 18 1 1 A 48 48 ILE HA H 48 4.091 4.160 -0.069 1
1 532 . 18 1 1 A 48 48 ILE CA C 48 63.844 63.309 0.535 1
1 533 . 18 1 1 A 48 48 ILE CB C 48 39.845 38.211 1.634 1
1 537 . 18 1 1 A 48 48 ILE N N 48 129.573 126.131 3.442 1
1 538 . 18 1 1 A 49 49 ARG H H 49 9.004 8.193 0.811 1
1 539 . 18 1 1 A 49 49 ARG HA H 49 4.166 4.308 -0.142 1
1 546 . 18 1 1 A 49 49 ARG CA C 49 57.534 57.144 0.390 1
1 547 . 18 1 1 A 49 49 ARG CB C 49 29.870 30.259 -0.389 1
1 548 . 18 1 1 A 49 49 ARG N N 49 119.541 120.445 -0.904 1
1 549 . 18 1 1 A 50 50 GLN H H 50 7.868 7.745 0.123 1
1 550 . 18 1 1 A 50 50 GLN HA H 50 4.498 4.616 -0.118 1
1 557 . 18 1 1 A 50 50 GLN CA C 50 54.633 55.074 -0.441 1
1 558 . 18 1 1 A 50 50 GLN CB C 50 29.548 28.922 0.626 1
1 560 . 18 1 1 A 50 50 GLN N N 50 114.374 120.839 -6.465 1
1 562 . 18 1 1 A 51 51 LEU H H 51 6.799 8.678 -1.879 1
1 563 . 18 1 1 A 51 51 LEU HA H 51 4.516 4.757 -0.241 1
1 573 . 18 1 1 A 51 51 LEU CA C 51 54.519 54.273 0.246 1
1 574 . 18 1 1 A 51 51 LEU CB C 51 43.014 42.679 0.335 1
1 578 . 18 1 1 A 51 51 LEU N N 51 119.548 126.144 -6.596 1
1 579 . 18 1 1 A 52 52 LYS H H 52 10.373 8.520 1.853 1
1 580 . 18 1 1 A 52 52 LYS HA H 52 4.725 4.912 -0.187 1
1 589 . 18 1 1 A 52 52 LYS CA C 52 53.806 54.236 -0.430 1
1 590 . 18 1 1 A 52 52 LYS CB C 52 34.394 35.578 -1.184 1
1 594 . 18 1 1 A 52 52 LYS N N 52 125.943 120.415 5.528 1
1 595 . 18 1 1 A 53 53 THR H H 53 8.724 8.897 -0.173 1
1 596 . 18 1 1 A 53 53 THR HA H 53 4.727 4.714 0.013 1
1 601 . 18 1 1 A 53 53 THR CA C 53 57.570 60.606 -3.036 1
1 602 . 18 1 1 A 53 53 THR CB C 53 68.467 70.676 -2.209 1
1 604 . 18 1 1 A 53 53 THR N N 53 117.533 113.075 4.458 1
1 605 . 18 1 1 A 54 54 SER H H 54 8.416 9.020 -0.604 1
1 606 . 18 1 1 A 54 54 SER HA H 54 4.743 4.147 0.596 1
1 609 . 18 1 1 A 54 54 SER CA C 54 61.306 61.947 -0.641 1
1 610 . 18 1 1 A 54 54 SER CB C 54 61.132 62.903 -1.771 1
1 611 . 18 1 1 A 54 54 SER N N 54 112.941 115.946 -3.005 1
1 612 . 18 1 1 A 55 55 HIS H H 55 7.077 8.490 -1.413 1
1 613 . 18 1 1 A 55 55 HIS HA H 55 4.425 4.379 0.046 1
1 617 . 18 1 1 A 55 55 HIS CA C 55 58.659 58.516 0.143 1
1 618 . 18 1 1 A 55 55 HIS CB C 55 33.051 28.505 4.546 1
1 620 . 18 1 1 A 55 55 HIS N N 55 120.680 118.284 2.396 1
1 621 . 18 1 1 A 56 56 LEU H H 56 7.410 7.284 0.126 1
1 622 . 18 1 1 A 56 56 LEU HA H 56 3.916 3.709 0.207 1
1 632 . 18 1 1 A 56 56 LEU CA C 56 56.558 57.152 -0.594 1
1 633 . 18 1 1 A 56 56 LEU CB C 56 42.547 41.157 1.390 1
1 637 . 18 1 1 A 56 56 LEU N N 56 115.029 118.437 -3.408 1
1 638 . 18 1 1 A 57 57 LEU H H 57 7.906 7.837 0.069 1
1 639 . 18 1 1 A 57 57 LEU HA H 57 4.073 4.067 0.006 1
1 649 . 18 1 1 A 57 57 LEU CA C 57 56.047 56.977 -0.930 1
1 650 . 18 1 1 A 57 57 LEU CB C 57 42.575 41.925 0.650 1
1 654 . 18 1 1 A 57 57 LEU N N 57 113.214 121.260 -8.046 1
1 655 . 18 1 1 A 58 58 ALA H H 58 7.367 8.125 -0.758 1
1 656 . 18 1 1 A 58 58 ALA HA H 58 4.176 3.961 0.215 1
1 660 . 18 1 1 A 58 58 ALA CA C 58 57.049 57.439 -0.390 1
1 661 . 18 1 1 A 58 58 ALA CB C 58 15.362 16.510 -1.148 1
1 662 . 18 1 1 A 58 58 ALA N N 58 120.662 121.757 -1.095 1
1 663 . 18 1 1 A 59 59 PRO HA H 59 4.133 4.283 -0.150 1
1 670 . 18 1 1 A 59 59 PRO CA C 59 65.120 65.900 -0.780 1
1 671 . 18 1 1 A 59 59 PRO CB C 59 31.183 30.651 0.532 1
1 674 . 18 1 1 A 60 60 ILE H H 60 6.643 7.483 -0.840 1
1 675 . 18 1 1 A 60 60 ILE HA H 60 3.383 3.840 -0.457 1
1 685 . 18 1 1 A 60 60 ILE CA C 60 64.886 63.676 1.210 1
1 686 . 18 1 1 A 60 60 ILE CB C 60 37.799 36.903 0.896 1
1 690 . 18 1 1 A 60 60 ILE N N 60 117.809 116.209 1.600 1
1 691 . 18 1 1 A 61 61 LYS H H 61 8.635 8.052 0.583 1
1 692 . 18 1 1 A 61 61 LYS HA H 61 3.992 3.987 0.005 1
1 701 . 18 1 1 A 61 61 LYS CA C 61 59.048 59.070 -0.022 1
1 702 . 18 1 1 A 61 61 LYS CB C 61 31.678 32.128 -0.450 1
1 706 . 18 1 1 A 61 61 LYS N N 61 120.585 123.250 -2.665 1
1 707 . 18 1 1 A 62 62 GLU H H 62 7.664 8.042 -0.378 1
1 708 . 18 1 1 A 62 62 GLU HA H 62 3.992 4.100 -0.108 1
1 713 . 18 1 1 A 62 62 GLU CA C 62 59.593 59.013 0.580 1
1 714 . 18 1 1 A 62 62 GLU CB C 62 28.975 28.715 0.260 1
1 716 . 18 1 1 A 62 62 GLU N N 62 118.505 117.202 1.303 1
1 717 . 18 1 1 A 63 63 VAL H H 63 7.227 7.904 -0.677 1
1 718 . 18 1 1 A 63 63 VAL HA H 63 3.545 3.840 -0.295 1
1 726 . 18 1 1 A 63 63 VAL CA C 63 65.663 64.318 1.345 1
1 727 . 18 1 1 A 63 63 VAL CB C 63 31.650 31.459 0.191 1
1 730 . 18 1 1 A 63 63 VAL N N 63 119.540 120.591 -1.051 1
1 731 . 18 1 1 A 64 64 ASP H H 64 8.281 8.114 0.167 1
1 732 . 18 1 1 A 64 64 ASP HA H 64 3.984 4.137 -0.153 1
1 735 . 18 1 1 A 64 64 ASP CA C 64 58.860 57.370 1.490 1
1 736 . 18 1 1 A 64 64 ASP CB C 64 42.561 41.159 1.402 1
1 737 . 18 1 1 A 64 64 ASP N N 64 122.316 121.714 0.602 1
1 738 . 18 1 1 A 65 65 THR H H 65 8.818 7.996 0.822 1
1 739 . 18 1 1 A 65 65 THR HA H 65 4.310 3.961 0.349 1
1 744 . 18 1 1 A 65 65 THR CA C 65 68.825 65.918 2.907 1
1 745 . 18 1 1 A 65 65 THR CB C 65 65.195 68.319 -3.124 1
1 747 . 18 1 1 A 65 65 THR N N 65 112.808 116.138 -3.330 1
1 748 . 18 1 1 A 66 66 SER H H 66 7.596 7.424 0.172 1
1 749 . 18 1 1 A 66 66 SER HA H 66 4.469 4.440 0.029 1
1 752 . 18 1 1 A 66 66 SER CA C 66 59.827 58.454 1.373 1
1 753 . 18 1 1 A 66 66 SER CB C 66 63.641 63.388 0.253 1
1 754 . 18 1 1 A 66 66 SER N N 66 116.412 114.124 2.288 1
1 755 . 18 1 1 A 67 67 GLY H H 67 7.781 7.854 -0.073 1
1 756 . 18 1 1 A 67 67 GLY HA2 H 67 4.467 3.836 0.631 1
1 757 . 18 1 1 A 67 67 GLY HA3 H 67 3.355 3.924 -0.569 1
1 758 . 18 1 1 A 67 67 GLY CA C 67 44.337 44.937 -0.600 1
1 759 . 18 1 1 A 67 67 GLY N N 67 108.565 107.784 0.781 1
1 760 . 18 1 1 A 68 68 LYS H H 68 6.932 7.396 -0.464 1
1 761 . 18 1 1 A 68 68 LYS HA H 68 4.706 4.355 0.351 1
1 770 . 18 1 1 A 68 68 LYS CA C 68 54.145 54.625 -0.480 1
1 771 . 18 1 1 A 68 68 LYS CB C 68 30.325 31.008 -0.683 1
1 775 . 18 1 1 A 68 68 LYS N N 68 121.979 120.650 1.329 1
1 776 . 18 1 1 A 69 69 HIS H H 69 7.630 7.478 0.152 1
1 777 . 18 1 1 A 69 69 HIS HA H 69 4.544 4.341 0.203 1
1 780 . 18 1 1 A 69 69 HIS CA C 69 58.270 60.218 -1.948 1
1 781 . 18 1 1 A 69 69 HIS CB C 69 28.303 30.476 -2.173 1
1 782 . 18 1 1 A 69 69 HIS N N 69 119.617 121.579 -1.962 1
1 783 . 18 1 1 A 70 70 ASP H H 70 8.779 8.301 0.478 1
1 784 . 18 1 1 A 70 70 ASP HA H 70 4.330 4.272 0.058 1
1 787 . 18 1 1 A 70 70 ASP CA C 70 56.869 57.587 -0.718 1
1 788 . 18 1 1 A 70 70 ASP CB C 70 39.433 41.680 -2.247 1
1 789 . 18 1 1 A 70 70 ASP N N 70 118.586 120.013 -1.427 1
1 790 . 18 1 1 A 71 71 VAL H H 71 7.575 7.941 -0.366 1
1 791 . 18 1 1 A 71 71 VAL HA H 71 3.232 3.886 -0.654 1
1 799 . 18 1 1 A 71 71 VAL CA C 71 66.131 63.699 2.432 1
1 800 . 18 1 1 A 71 71 VAL CB C 71 31.105 31.844 -0.739 1
1 803 . 18 1 1 A 71 71 VAL N N 71 121.186 116.709 4.477 1
1 804 . 18 1 1 A 72 72 ALA H H 72 8.022 8.160 -0.138 1
1 805 . 18 1 1 A 72 72 ALA HA H 72 3.682 3.986 -0.304 1
1 809 . 18 1 1 A 72 72 ALA CA C 72 55.702 55.685 0.017 1
1 810 . 18 1 1 A 72 72 ALA CB C 72 18.028 18.304 -0.276 1
1 811 . 18 1 1 A 72 72 ALA N N 72 120.675 124.581 -3.906 1
1 812 . 18 1 1 A 73 73 GLN H H 73 7.793 8.102 -0.309 1
1 813 . 18 1 1 A 73 73 GLN HA H 73 3.971 3.961 0.010 1
1 820 . 18 1 1 A 73 73 GLN CA C 73 58.872 59.300 -0.428 1
1 821 . 18 1 1 A 73 73 GLN CB C 73 28.073 28.378 -0.305 1
1 823 . 18 1 1 A 73 73 GLN N N 73 115.949 117.856 -1.907 1
1 825 . 18 1 1 A 74 74 ARG H H 74 7.795 8.057 -0.262 1
1 826 . 18 1 1 A 74 74 ARG HA H 74 4.108 4.128 -0.020 1
1 833 . 18 1 1 A 74 74 ARG CA C 74 59.282 58.959 0.323 1
1 834 . 18 1 1 A 74 74 ARG CB C 74 29.857 29.712 0.145 1
1 837 . 18 1 1 A 74 74 ARG N N 74 119.896 119.524 0.372 1
1 838 . 18 1 1 A 75 75 LEU H H 75 8.850 8.246 0.604 1
1 839 . 18 1 1 A 75 75 LEU HA H 75 3.935 4.101 -0.166 1
1 849 . 18 1 1 A 75 75 LEU CA C 75 57.803 57.720 0.083 1
1 850 . 18 1 1 A 75 75 LEU CB C 75 42.858 41.085 1.773 1
1 854 . 18 1 1 A 75 75 LEU N N 75 118.044 119.360 -1.316 1
1 855 . 18 1 1 A 76 76 GLN H H 76 8.412 8.771 -0.359 1
1 856 . 18 1 1 A 76 76 GLN HA H 76 3.790 3.962 -0.172 1
1 861 . 18 1 1 A 76 76 GLN CA C 76 60.294 59.071 1.223 1
1 862 . 18 1 1 A 76 76 GLN CB C 76 27.995 27.939 0.056 1
1 864 . 18 1 1 A 76 76 GLN N N 76 119.109 118.017 1.092 1
1 865 . 18 1 1 A 77 77 GLN H H 77 7.788 8.065 -0.277 1
1 866 . 18 1 1 A 77 77 GLN HA H 77 4.090 4.080 0.010 1
1 873 . 18 1 1 A 77 77 GLN CA C 77 59.318 58.598 0.720 1
1 874 . 18 1 1 A 77 77 GLN CB C 77 28.054 28.317 -0.263 1
1 876 . 18 1 1 A 77 77 GLN N N 77 119.616 119.585 0.031 1
1 878 . 18 1 1 A 78 78 ARG H H 78 8.552 7.722 0.830 1
1 879 . 18 1 1 A 78 78 ARG HA H 78 4.171 4.219 -0.048 1
1 886 . 18 1 1 A 78 78 ARG CA C 78 57.946 58.739 -0.793 1
1 887 . 18 1 1 A 78 78 ARG CB C 78 28.958 30.172 -1.214 1
1 890 . 18 1 1 A 78 78 ARG N N 78 118.044 119.697 -1.653 1
1 891 . 18 1 1 A 79 79 VAL H H 79 8.958 7.973 0.985 1
1 892 . 18 1 1 A 79 79 VAL HA H 79 3.603 3.838 -0.235 1
1 900 . 18 1 1 A 79 79 VAL CA C 79 67.284 66.418 0.866 1
1 901 . 18 1 1 A 79 79 VAL CB C 79 31.228 31.796 -0.568 1
1 904 . 18 1 1 A 79 79 VAL N N 79 116.998 120.389 -3.391 1
1 905 . 18 1 1 A 80 80 THR H H 80 7.938 7.740 0.198 1
1 906 . 18 1 1 A 80 80 THR HA H 80 4.301 4.173 0.128 1
1 911 . 18 1 1 A 80 80 THR CA C 80 67.976 65.419 2.557 1
1 912 . 18 1 1 A 80 80 THR CB C 80 67.466 68.240 -0.774 1
1 914 . 18 1 1 A 80 80 THR N N 80 115.701 112.255 3.446 1
1 915 . 18 1 1 A 81 81 ALA H H 81 7.656 7.465 0.191 1
1 916 . 18 1 1 A 81 81 ALA HA H 81 4.070 4.077 -0.007 1
1 920 . 18 1 1 A 81 81 ALA CA C 81 55.232 55.051 0.181 1
1 921 . 18 1 1 A 81 81 ALA CB C 81 18.087 17.918 0.169 1
1 922 . 18 1 1 A 81 81 ALA N N 81 124.407 124.081 0.326 1
1 923 . 18 1 1 A 82 82 ILE H H 82 7.901 7.837 0.064 1
1 924 . 18 1 1 A 82 82 ILE HA H 82 2.733 3.711 -0.978 1
1 934 . 18 1 1 A 82 82 ILE CA C 82 65.450 65.379 0.071 1
1 935 . 18 1 1 A 82 82 ILE CB C 82 37.569 37.985 -0.416 1
1 939 . 18 1 1 A 82 82 ILE N N 82 121.196 119.375 1.821 1
1 940 . 18 1 1 A 83 83 MET H H 83 8.258 8.793 -0.535 1
1 941 . 18 1 1 A 83 83 MET HA H 83 4.556 4.247 0.309 1
1 949 . 18 1 1 A 83 83 MET CA C 83 56.403 58.676 -2.273 1
1 950 . 18 1 1 A 83 83 MET CB C 83 29.782 31.985 -2.203 1
1 953 . 18 1 1 A 83 83 MET N N 83 120.154 120.827 -0.673 1
1 954 . 18 1 1 A 84 84 ARG H H 84 7.915 7.941 -0.026 1
1 955 . 18 1 1 A 84 84 ARG HA H 84 4.039 3.806 0.233 1
1 962 . 18 1 1 A 84 84 ARG CA C 84 59.749 59.121 0.628 1
1 963 . 18 1 1 A 84 84 ARG CB C 84 30.000 29.541 0.459 1
1 966 . 18 1 1 A 84 84 ARG N N 84 116.534 119.500 -2.966 1
1 967 . 18 1 1 A 85 85 TYR H H 85 8.221 7.792 0.429 1
1 968 . 18 1 1 A 85 85 TYR HA H 85 4.255 4.227 0.028 1
1 975 . 18 1 1 A 85 85 TYR CA C 85 61.382 60.984 0.398 1
1 976 . 18 1 1 A 85 85 TYR CB C 85 38.499 37.495 1.004 1
1 979 . 18 1 1 A 85 85 TYR N N 85 122.313 118.936 3.377 1
1 980 . 18 1 1 A 86 86 ALA H H 86 8.804 7.759 1.045 1
1 981 . 18 1 1 A 86 86 ALA HA H 86 4.223 4.459 -0.236 1
1 985 . 18 1 1 A 86 86 ALA CA C 86 55.043 55.033 0.010 1
1 986 . 18 1 1 A 86 86 ALA CB C 86 18.087 18.488 -0.401 1
1 987 . 18 1 1 A 86 86 ALA N N 86 123.291 122.761 0.530 1
1 988 . 18 1 1 A 87 87 VAL H H 87 8.113 7.499 0.614 1
1 989 . 18 1 1 A 87 87 VAL HA H 87 4.170 3.777 0.393 1
1 997 . 18 1 1 A 87 87 VAL CA C 87 65.146 66.203 -1.057 1
1 998 . 18 1 1 A 87 87 VAL CB C 87 31.897 31.680 0.217 1
1 1001 . 18 1 1 A 87 87 VAL N N 87 120.144 117.774 2.370 1
1 1002 . 18 1 1 A 88 88 GLN H H 88 8.458 8.363 0.095 1
1 1003 . 18 1 1 A 88 88 GLN HA H 88 3.983 3.993 -0.010 1
1 1010 . 18 1 1 A 88 88 GLN CA C 88 58.270 58.276 -0.006 1
1 1011 . 18 1 1 A 88 88 GLN CB C 88 28.075 28.392 -0.317 1
1 1013 . 18 1 1 A 88 88 GLN N N 88 120.751 119.550 1.201 1
1 1015 . 18 1 1 A 89 89 ASN H H 89 7.359 7.410 -0.051 1
1 1016 . 18 1 1 A 89 89 ASN HA H 89 4.486 4.695 -0.209 1
1 1021 . 18 1 1 A 89 89 ASN CA C 89 53.444 52.606 0.838 1
1 1022 . 18 1 1 A 89 89 ASN CB C 89 38.932 38.299 0.633 1
1 1023 . 18 1 1 A 89 89 ASN N N 89 113.850 116.262 -2.412 1
1 1025 . 18 1 1 A 90 90 ASP H H 90 7.849 8.034 -0.185 1
1 1026 . 18 1 1 A 90 90 ASP HA H 90 4.387 4.292 0.095 1
1 1029 . 18 1 1 A 90 90 ASP CA C 90 55.935 54.762 1.173 1
1 1030 . 18 1 1 A 90 90 ASP CB C 90 38.811 39.044 -0.233 1
1 1031 . 18 1 1 A 90 90 ASP N N 90 113.293 118.071 -4.778 1
1 1032 . 18 1 1 A 91 91 TYR H H 91 8.489 7.800 0.689 1
1 1033 . 18 1 1 A 91 91 TYR HA H 91 4.589 4.699 -0.110 1
1 1040 . 18 1 1 A 91 91 TYR CA C 91 60.000 59.022 0.978 1
1 1041 . 18 1 1 A 91 91 TYR CB C 91 38.811 40.685 -1.874 1
1 1044 . 18 1 1 A 91 91 TYR N N 91 116.072 120.910 -4.838 1
1 1045 . 18 1 1 A 92 92 ILE H H 92 7.131 7.532 -0.401 1
1 1046 . 18 1 1 A 92 92 ILE HA H 92 4.684 4.758 -0.074 1
1 1056 . 18 1 1 A 92 92 ILE CA C 92 59.126 58.879 0.247 1
1 1057 . 18 1 1 A 92 92 ILE CB C 92 41.846 41.368 0.478 1
1 1061 . 18 1 1 A 92 92 ILE N N 92 107.409 114.786 -7.377 1
1 1062 . 18 1 1 A 93 93 ASP H H 93 8.731 8.652 0.079 1
1 1063 . 18 1 1 A 93 93 ASP HA H 93 4.707 4.763 -0.056 1
1 1066 . 18 1 1 A 93 93 ASP CA C 93 54.689 55.062 -0.373 1
1 1067 . 18 1 1 A 93 93 ASP CB C 93 41.924 41.642 0.282 1
1 1068 . 18 1 1 A 93 93 ASP N N 93 118.847 121.545 -2.698 1
1 1069 . 18 1 1 A 94 94 SER H H 94 7.638 7.779 -0.141 1
1 1070 . 18 1 1 A 94 94 SER HA H 94 4.491 4.553 -0.062 1
1 1073 . 18 1 1 A 94 94 SER CA C 94 57.102 58.837 -1.735 1
1 1074 . 18 1 1 A 94 94 SER CB C 94 64.186 64.386 -0.200 1
1 1075 . 18 1 1 A 94 94 SER N N 94 112.240 115.810 -3.570 1
1 1076 . 18 1 1 A 95 95 ASN H H 95 8.801 8.614 0.187 1
1 1077 . 18 1 1 A 95 95 ASN HA H 95 4.942 5.502 -0.560 1
1 1082 . 18 1 1 A 95 95 ASN CA C 95 49.941 50.435 -0.494 1
1 1083 . 18 1 1 A 95 95 ASN CB C 95 39.356 39.285 0.071 1
1 1084 . 18 1 1 A 95 95 ASN N N 95 119.551 122.421 -2.870 1
1 1086 . 18 1 1 A 96 96 PRO HA H 96 4.632 4.611 0.021 1
1 1093 . 18 1 1 A 96 96 PRO CA C 96 63.564 62.609 0.955 1
1 1094 . 18 1 1 A 96 96 PRO CB C 96 32.058 32.755 -0.697 1
1 1097 . 18 1 1 A 97 97 ALA H H 97 8.335 8.209 0.126 1
1 1098 . 18 1 1 A 97 97 ALA HA H 97 4.436 4.207 0.229 1
1 1102 . 18 1 1 A 97 97 ALA CA C 97 52.055 53.405 -1.350 1
1 1103 . 18 1 1 A 97 97 ALA CB C 97 18.998 17.963 1.035 1
1 1104 . 18 1 1 A 97 97 ALA N N 97 121.226 119.945 1.281 1
1 1105 . 18 1 1 A 98 98 SER H H 98 7.600 8.105 -0.505 1
1 1106 . 18 1 1 A 98 98 SER HA H 98 4.168 4.710 -0.542 1
1 1109 . 18 1 1 A 98 98 SER CA C 98 60.372 57.904 2.468 1
1 1110 . 18 1 1 A 98 98 SER CB C 98 63.018 64.542 -1.524 1
1 1111 . 18 1 1 A 98 98 SER N N 98 114.935 113.767 1.168 1
1 1112 . 18 1 1 A 99 99 ASP H H 99 8.098 9.160 -1.062 1
1 1113 . 18 1 1 A 99 99 ASP HA H 99 4.760 4.467 0.293 1
1 1116 . 18 1 1 A 99 99 ASP CA C 99 54.300 55.307 -1.007 1
1 1117 . 18 1 1 A 99 99 ASP CB C 99 40.835 40.997 -0.162 1
1 1118 . 18 1 1 A 99 99 ASP N N 99 119.889 124.064 -4.175 1
1 1119 . 18 1 1 A 100 100 MET H H 100 7.885 7.932 -0.047 1
1 1120 . 18 1 1 A 100 100 MET HA H 100 4.205 4.509 -0.304 1
1 1128 . 18 1 1 A 100 100 MET CA C 100 57.025 57.617 -0.592 1
1 1129 . 18 1 1 A 100 100 MET CB C 100 33.038 33.873 -0.835 1
1 1132 . 18 1 1 A 100 100 MET N N 100 119.185 117.058 2.127 1
1 1133 . 18 1 1 A 101 101 ALA H H 101 8.041 7.635 0.406 1
1 1134 . 18 1 1 A 101 101 ALA HA H 101 4.137 4.380 -0.243 1
1 1138 . 18 1 1 A 101 101 ALA CA C 101 53.655 51.581 2.074 1
1 1139 . 18 1 1 A 101 101 ALA CB C 101 18.537 17.549 0.988 1
1 1140 . 18 1 1 A 101 101 ALA N N 101 122.264 120.532 1.732 1
1 1141 . 18 1 1 A 102 102 GLY H H 102 8.293 8.029 0.264 1
1 1142 . 18 1 1 A 102 102 GLY HA2 H 102 3.910 4.188 -0.278 1
1 1143 . 18 1 1 A 102 102 GLY HA3 H 102 3.913 4.189 -0.276 1
1 1144 . 18 1 1 A 102 102 GLY CA C 102 45.664 46.023 -0.359 1
1 1145 . 18 1 1 A 102 102 GLY N N 102 107.557 109.233 -1.676 1
1 1146 . 18 1 1 A 103 103 ALA H H 103 7.955 8.566 -0.611 1
1 1147 . 18 1 1 A 103 103 ALA HA H 103 4.235 3.884 0.351 1
1 1151 . 18 1 1 A 103 103 ALA CA C 103 53.423 54.854 -1.431 1
1 1152 . 18 1 1 A 103 103 ALA CB C 103 19.219 17.884 1.335 1
1 1153 . 18 1 1 A 103 103 ALA N N 103 123.285 122.565 0.720 1
1 1154 . 18 1 1 A 104 104 LEU H H 104 8.145 8.617 -0.472 1
1 1155 . 18 1 1 A 104 104 LEU HA H 104 4.301 4.323 -0.022 1
1 1165 . 18 1 1 A 104 104 LEU CA C 104 55.312 55.617 -0.305 1
1 1166 . 18 1 1 A 104 104 LEU CB C 104 41.644 40.956 0.688 1
1 1170 . 18 1 1 A 104 104 LEU N N 104 118.570 116.379 2.191 1
1 1171 . 18 1 1 A 105 105 SER H H 105 8.040 7.740 0.300 1
1 1172 . 18 1 1 A 105 105 SER HA H 105 4.390 4.444 -0.054 1
1 1175 . 18 1 1 A 105 105 SER CA C 105 58.893 58.710 0.183 1
1 1176 . 18 1 1 A 105 105 SER CB C 105 63.424 63.752 -0.328 1
1 1177 . 18 1 1 A 105 105 SER N N 105 115.022 113.418 1.604 1
1 1178 . 18 1 1 A 106 106 THR H H 106 8.032 7.425 0.607 1
1 1179 . 18 1 1 A 106 106 THR HA H 106 4.293 4.353 -0.060 1
1 1184 . 18 1 1 A 106 106 THR CA C 106 62.037 61.717 0.320 1
1 1185 . 18 1 1 A 106 106 THR CB C 106 69.401 68.456 0.945 1
1 1187 . 18 1 1 A 106 106 THR N N 106 115.371 115.033 0.338 1
1 1188 . 18 1 1 A 107 107 THR H H 107 7.940 8.218 -0.278 1
1 1189 . 18 1 1 A 107 107 THR HA H 107 4.296 4.897 -0.601 1
1 1194 . 18 1 1 A 107 107 THR CA C 107 61.539 60.659 0.880 1
1 1195 . 18 1 1 A 107 107 THR CB C 107 61.610 70.397 -8.787 1
1 1197 . 18 1 1 A 107 107 THR N N 107 122.759 118.811 3.948 1
1 1198 . 18 1 1 A 108 108 LYS H H 108 8.240 8.596 -0.356 1
1 1199 . 18 1 1 A 108 108 LYS HA H 108 4.241 5.119 -0.878 1
1 1208 . 18 1 1 A 108 108 LYS CA C 108 56.324 54.497 1.827 1
1 1209 . 18 1 1 A 108 108 LYS CB C 108 32.817 35.964 -3.147 1
1 1213 . 18 1 1 A 108 108 LYS N N 108 124.773 121.310 3.463 1
1 1214 . 18 1 1 A 109 109 ALA H H 109 8.131 8.384 -0.253 1
1 1215 . 18 1 1 A 109 109 ALA HA H 109 4.224 4.435 -0.211 1
1 1219 . 18 1 1 A 109 109 ALA CA C 109 52.432 53.138 -0.706 1
1 1220 . 18 1 1 A 109 109 ALA CB C 109 19.017 20.035 -1.018 1
1 1221 . 18 1 1 A 109 109 ALA N N 109 124.331 124.341 -0.010 1
1 1222 . 18 1 1 A 110 110 ARG H H 110 8.114 8.083 0.031 1
1 1223 . 18 1 1 A 110 110 ARG HA H 110 4.191 4.218 -0.027 1
1 1230 . 18 1 1 A 110 110 ARG CA C 110 56.013 57.384 -1.371 1
1 1231 . 18 1 1 A 110 110 ARG CB C 110 30.871 29.923 0.948 1
1 1234 . 18 1 1 A 110 110 ARG N N 110 119.544 118.693 0.851 1
1 1235 . 18 1 1 A 111 111 HIS H H 111 8.283 8.487 -0.204 1
1 1236 . 18 1 1 A 111 111 HIS HA H 111 4.604 4.281 0.323 1
1 1240 . 18 1 1 A 111 111 HIS CA C 111 55.448 56.265 -0.817 1
1 1241 . 18 1 1 A 111 111 HIS CB C 111 29.866 28.074 1.792 1
1 1243 . 18 1 1 A 111 111 HIS N N 111 119.886 117.322 2.564 1
1 1244 . 18 1 1 A 112 112 TYR H H 112 8.179 8.060 0.119 1
1 1245 . 18 1 1 A 112 112 TYR HA H 112 4.766 4.767 -0.001 1
1 1252 . 18 1 1 A 112 112 TYR CA C 112 55.701 57.020 -1.319 1
1 1253 . 18 1 1 A 112 112 TYR CB C 112 38.110 41.269 -3.159 1
1 1256 . 18 1 1 A 112 112 TYR N N 112 122.673 123.437 -0.764 1
1 1257 . 18 1 1 A 113 113 PRO HA H 113 4.399 4.648 -0.249 1
1 1264 . 18 1 1 A 113 113 PRO CA C 113 63.097 62.097 1.000 1
1 1265 . 18 1 1 A 113 113 PRO CB C 113 31.684 31.570 0.114 1
1 1268 . 18 1 1 A 114 114 LEU H H 114 8.225 8.706 -0.481 1
1 1269 . 18 1 1 A 114 114 LEU HA H 114 4.265 3.956 0.309 1
1 1279 . 18 1 1 A 114 114 LEU CA C 114 55.069 57.367 -2.298 1
1 1280 . 18 1 1 A 114 114 LEU CB C 114 42.104 41.774 0.330 1
1 1284 . 18 1 1 A 114 114 LEU N N 114 121.625 126.343 -4.718 1
1 1285 . 18 1 1 A 115 115 GLU H H 115 8.273 7.887 0.386 1
1 1286 . 18 1 1 A 115 115 GLU HA H 115 4.202 4.069 0.133 1
1 1291 . 18 1 1 A 115 115 GLU CA C 115 56.402 57.813 -1.411 1
1 1292 . 18 1 1 A 115 115 GLU CB C 115 30.249 27.139 3.110 1
1 5 . 19 1 1 A 2 2 GLU HA H 2 4.399 4.289 0.110 1
1 10 . 19 1 1 A 2 2 GLU CA C 2 56.358 57.476 -1.118 1
1 11 . 19 1 1 A 2 2 GLU CB C 2 30.249 30.484 -0.235 1
1 13 . 19 1 1 A 3 3 ASN H H 3 8.699 7.925 0.774 1
1 14 . 19 1 1 A 3 3 ASN HA H 3 4.753 4.908 -0.155 1
1 19 . 19 1 1 A 3 3 ASN CA C 3 53.211 52.810 0.401 1
1 20 . 19 1 1 A 3 3 ASN CB C 3 38.733 37.896 0.837 1
1 21 . 19 1 1 A 3 3 ASN N N 3 120.234 118.904 1.330 1
1 23 . 19 1 1 A 4 4 SER H H 4 8.428 8.601 -0.173 1
1 24 . 19 1 1 A 4 4 SER HA H 4 4.395 4.697 -0.302 1
1 27 . 19 1 1 A 4 4 SER CA C 4 59.048 57.901 1.147 1
1 28 . 19 1 1 A 4 4 SER CB C 4 63.485 65.015 -1.530 1
1 29 . 19 1 1 A 4 4 SER N N 4 116.413 119.701 -3.288 1
1 30 . 19 1 1 A 5 5 GLY H H 5 8.525 7.244 1.281 1
1 31 . 19 1 1 A 5 5 GLY HA2 H 5 3.970 4.111 -0.141 1
1 32 . 19 1 1 A 5 5 GLY HA3 H 5 3.969 4.143 -0.174 1
1 33 . 19 1 1 A 5 5 GLY CA C 5 45.717 44.159 1.558 1
1 34 . 19 1 1 A 5 5 GLY N N 5 111.196 108.700 2.496 1
1 35 . 19 1 1 A 6 6 ALA H H 6 7.941 8.606 -0.665 1
1 36 . 19 1 1 A 6 6 ALA HA H 6 4.206 4.458 -0.252 1
1 40 . 19 1 1 A 6 6 ALA CA C 6 52.988 51.461 1.527 1
1 41 . 19 1 1 A 6 6 ALA CB C 6 19.429 19.651 -0.222 1
1 42 . 19 1 1 A 6 6 ALA N N 6 123.277 121.146 2.131 1
1 43 . 19 1 1 A 7 7 TYR H H 7 8.351 7.898 0.453 1
1 44 . 19 1 1 A 7 7 TYR HA H 7 4.509 4.476 0.033 1
1 51 . 19 1 1 A 7 7 TYR CA C 7 57.528 57.512 0.016 1
1 52 . 19 1 1 A 7 7 TYR CB C 7 39.356 38.835 0.521 1
1 55 . 19 1 1 A 7 7 TYR N N 7 114.900 115.581 -0.681 1
1 56 . 19 1 1 A 8 8 THR H H 8 7.735 7.198 0.537 1
1 57 . 19 1 1 A 8 8 THR HA H 8 4.922 4.120 0.802 1
1 62 . 19 1 1 A 8 8 THR CA C 8 60.827 62.849 -2.022 1
1 63 . 19 1 1 A 8 8 THR CB C 8 70.109 69.202 0.907 1
1 65 . 19 1 1 A 8 8 THR N N 8 110.856 116.354 -5.498 1
1 66 . 19 1 1 A 9 9 PHE H H 9 8.816 9.136 -0.320 1
1 67 . 19 1 1 A 9 9 PHE HA H 9 3.825 4.133 -0.308 1
1 75 . 19 1 1 A 9 9 PHE CA C 9 62.935 62.400 0.535 1
1 76 . 19 1 1 A 9 9 PHE CB C 9 39.373 39.872 -0.499 1
1 80 . 19 1 1 A 9 9 PHE N N 9 121.282 124.789 -3.507 1
1 81 . 19 1 1 A 10 10 GLU H H 10 9.741 8.311 1.430 1
1 82 . 19 1 1 A 10 10 GLU HA H 10 3.295 4.058 -0.763 1
1 87 . 19 1 1 A 10 10 GLU CA C 10 59.586 59.559 0.027 1
1 88 . 19 1 1 A 10 10 GLU CB C 10 28.453 29.276 -0.823 1
1 90 . 19 1 1 A 10 10 GLU N N 10 117.454 117.308 0.146 1
1 91 . 19 1 1 A 11 11 THR H H 11 7.542 7.829 -0.287 1
1 92 . 19 1 1 A 11 11 THR HA H 11 3.667 3.899 -0.232 1
1 97 . 19 1 1 A 11 11 THR CA C 11 66.550 67.213 -0.663 1
1 98 . 19 1 1 A 11 11 THR CB C 11 66.557 68.731 -2.174 1
1 100 . 19 1 1 A 11 11 THR N N 11 115.970 117.784 -1.814 1
1 101 . 19 1 1 A 12 12 ILE H H 12 7.724 8.020 -0.296 1
1 102 . 19 1 1 A 12 12 ILE HA H 12 3.561 3.715 -0.154 1
1 112 . 19 1 1 A 12 12 ILE CA C 12 63.395 64.161 -0.766 1
1 113 . 19 1 1 A 12 12 ILE CB C 12 36.233 36.169 0.064 1
1 117 . 19 1 1 A 12 12 ILE N N 12 122.235 120.865 1.370 1
1 118 . 19 1 1 A 13 13 ALA H H 13 9.099 8.267 0.832 1
1 119 . 19 1 1 A 13 13 ALA HA H 13 3.975 3.823 0.152 1
1 123 . 19 1 1 A 13 13 ALA CA C 13 55.666 55.053 0.613 1
1 124 . 19 1 1 A 13 13 ALA CB C 13 20.126 18.166 1.960 1
1 125 . 19 1 1 A 13 13 ALA N N 13 122.259 122.746 -0.487 1
1 126 . 19 1 1 A 14 14 ARG H H 14 8.600 7.569 1.031 1
1 127 . 19 1 1 A 14 14 ARG HA H 14 4.097 3.868 0.229 1
1 134 . 19 1 1 A 14 14 ARG CA C 14 60.889 59.037 1.852 1
1 135 . 19 1 1 A 14 14 ARG CB C 14 29.000 29.578 -0.578 1
1 138 . 19 1 1 A 14 14 ARG N N 14 116.993 117.390 -0.397 1
1 139 . 19 1 1 A 15 15 GLU H H 15 7.924 7.732 0.192 1
1 140 . 19 1 1 A 15 15 GLU HA H 15 4.085 3.887 0.198 1
1 145 . 19 1 1 A 15 15 GLU CA C 15 59.312 59.318 -0.006 1
1 146 . 19 1 1 A 15 15 GLU CB C 15 29.866 29.488 0.378 1
1 148 . 19 1 1 A 15 15 GLU N N 15 122.758 118.645 4.113 1
1 149 . 19 1 1 A 16 16 TRP H H 16 8.864 7.815 1.049 1
1 150 . 19 1 1 A 16 16 TRP HA H 16 4.740 4.340 0.400 1
1 158 . 19 1 1 A 16 16 TRP CA C 16 60.839 59.441 1.398 1
1 159 . 19 1 1 A 16 16 TRP CB C 16 26.693 28.655 -1.962 1
1 163 . 19 1 1 A 16 16 TRP N N 16 122.323 120.135 2.188 1
1 165 . 19 1 1 A 17 17 HIS H H 17 8.803 6.981 1.822 1
1 166 . 19 1 1 A 17 17 HIS HA H 17 3.076 3.964 -0.888 1
1 170 . 19 1 1 A 17 17 HIS CA C 17 60.683 59.437 1.246 1
1 171 . 19 1 1 A 17 17 HIS CB C 17 30.772 29.215 1.557 1
1 173 . 19 1 1 A 17 17 HIS N N 17 121.293 120.318 0.975 1
1 174 . 19 1 1 A 18 18 GLU H H 18 7.897 8.181 -0.284 1
1 175 . 19 1 1 A 18 18 GLU HA H 18 3.837 4.002 -0.165 1
1 180 . 19 1 1 A 18 18 GLU CA C 18 57.506 58.031 -0.525 1
1 181 . 19 1 1 A 18 18 GLU CB C 18 29.421 28.994 0.427 1
1 183 . 19 1 1 A 18 18 GLU N N 18 118.162 118.535 -0.373 1
1 184 . 19 1 1 A 19 19 SER H H 19 7.461 7.621 -0.160 1
1 185 . 19 1 1 A 19 19 SER HA H 19 4.150 4.553 -0.403 1
1 188 . 19 1 1 A 19 19 SER CA C 19 60.000 58.262 1.738 1
1 189 . 19 1 1 A 19 19 SER CB C 19 63.329 63.519 -0.190 1
1 190 . 19 1 1 A 19 19 SER N N 19 112.802 114.726 -1.924 1
1 191 . 19 1 1 A 20 20 ASN H H 20 6.638 7.697 -1.059 1
1 192 . 19 1 1 A 20 20 ASN HA H 20 4.226 4.928 -0.702 1
1 195 . 19 1 1 A 20 20 ASN CA C 20 53.211 52.167 1.044 1
1 196 . 19 1 1 A 20 20 ASN CB C 20 37.021 38.419 -1.398 1
1 197 . 19 1 1 A 20 20 ASN N N 20 121.098 119.290 1.808 1
1 198 . 19 1 1 A 21 21 LYS H H 21 8.010 8.172 -0.162 1
1 199 . 19 1 1 A 21 21 LYS HA H 21 4.077 4.293 -0.216 1
1 208 . 19 1 1 A 21 21 LYS CA C 21 56.558 58.420 -1.862 1
1 209 . 19 1 1 A 21 21 LYS CB C 21 32.435 31.258 1.177 1
1 213 . 19 1 1 A 21 21 LYS N N 21 122.666 117.694 4.972 1
1 214 . 19 1 1 A 22 22 ARG H H 22 8.007 8.899 -0.892 1
1 215 . 19 1 1 A 22 22 ARG HA H 22 4.257 3.659 0.598 1
1 222 . 19 1 1 A 22 22 ARG CA C 22 56.480 56.446 0.034 1
1 223 . 19 1 1 A 22 22 ARG CB C 22 30.000 28.264 1.736 1
1 226 . 19 1 1 A 22 22 ARG N N 22 117.459 118.720 -1.261 1
1 227 . 19 1 1 A 23 23 TRP H H 23 7.211 8.042 -0.831 1
1 228 . 19 1 1 A 23 23 TRP HA H 23 4.938 4.413 0.525 1
1 237 . 19 1 1 A 23 23 TRP CA C 23 55.206 59.364 -4.158 1
1 238 . 19 1 1 A 23 23 TRP CB C 23 30.772 28.919 1.853 1
1 244 . 19 1 1 A 23 23 TRP N N 23 118.844 125.349 -6.505 1
1 246 . 19 1 1 A 24 24 SER H H 24 8.764 7.053 1.711 1
1 247 . 19 1 1 A 24 24 SER HA H 24 4.520 4.405 0.115 1
1 250 . 19 1 1 A 24 24 SER CA C 24 57.647 59.605 -1.958 1
1 251 . 19 1 1 A 24 24 SER CB C 24 64.419 62.491 1.928 1
1 252 . 19 1 1 A 24 24 SER N N 24 117.454 116.335 1.119 1
1 253 . 19 1 1 A 25 25 GLU H H 25 8.976 8.946 0.030 1
1 254 . 19 1 1 A 25 25 GLU HA H 25 4.076 4.199 -0.123 1
1 259 . 19 1 1 A 25 25 GLU CA C 25 59.360 59.702 -0.342 1
1 260 . 19 1 1 A 25 25 GLU CB C 25 28.960 29.314 -0.354 1
1 262 . 19 1 1 A 25 25 GLU N N 25 122.323 126.431 -4.108 1
1 263 . 19 1 1 A 26 26 ASP H H 26 8.608 8.329 0.279 1
1 264 . 19 1 1 A 26 26 ASP HA H 26 4.400 4.345 0.055 1
1 267 . 19 1 1 A 26 26 ASP CA C 26 56.327 56.979 -0.652 1
1 268 . 19 1 1 A 26 26 ASP CB C 26 40.700 41.743 -1.043 1
1 269 . 19 1 1 A 26 26 ASP N N 26 118.165 120.154 -1.989 1
1 270 . 19 1 1 A 27 27 HIS H H 27 7.891 7.959 -0.068 1
1 271 . 19 1 1 A 27 27 HIS HA H 27 4.247 4.241 0.006 1
1 275 . 19 1 1 A 27 27 HIS CA C 27 58.271 58.967 -0.696 1
1 276 . 19 1 1 A 27 27 HIS CB C 27 30.483 28.433 2.050 1
1 278 . 19 1 1 A 27 27 HIS N N 27 120.183 116.578 3.605 1
1 279 . 19 1 1 A 28 28 ARG H H 28 8.676 8.322 0.354 1
1 280 . 19 1 1 A 28 28 ARG HA H 28 3.720 3.826 -0.106 1
1 287 . 19 1 1 A 28 28 ARG CA C 28 59.444 58.182 1.262 1
1 288 . 19 1 1 A 28 28 ARG CB C 28 30.315 29.484 0.831 1
1 291 . 19 1 1 A 28 28 ARG N N 28 118.156 120.772 -2.616 1
1 292 . 19 1 1 A 29 29 SER H H 29 8.359 8.092 0.267 1
1 293 . 19 1 1 A 29 29 SER HA H 29 4.295 4.223 0.072 1
1 296 . 19 1 1 A 29 29 SER CA C 29 60.916 61.725 -0.809 1
1 297 . 19 1 1 A 29 29 SER CB C 29 62.629 63.311 -0.682 1
1 298 . 19 1 1 A 29 29 SER N N 29 115.374 117.932 -2.558 1
1 299 . 19 1 1 A 30 30 ARG H H 30 7.860 7.434 0.426 1
1 300 . 19 1 1 A 30 30 ARG HA H 30 3.850 4.152 -0.302 1
1 307 . 19 1 1 A 30 30 ARG CA C 30 59.162 58.854 0.308 1
1 308 . 19 1 1 A 30 30 ARG CB C 30 30.171 30.388 -0.217 1
1 311 . 19 1 1 A 30 30 ARG N N 30 124.066 121.601 2.465 1
1 312 . 19 1 1 A 31 31 VAL H H 31 7.928 8.055 -0.127 1
1 313 . 19 1 1 A 31 31 VAL HA H 31 4.728 3.922 0.806 1
1 321 . 19 1 1 A 31 31 VAL CA C 31 66.054 65.233 0.821 1
1 322 . 19 1 1 A 31 31 VAL CB C 31 31.961 31.297 0.664 1
1 325 . 19 1 1 A 31 31 VAL N N 31 116.760 117.207 -0.447 1
1 326 . 19 1 1 A 32 32 LEU H H 32 7.314 8.004 -0.690 1
1 327 . 19 1 1 A 32 32 LEU HA H 32 3.867 3.986 -0.119 1
1 337 . 19 1 1 A 32 32 LEU CA C 32 57.406 58.585 -1.179 1
1 338 . 19 1 1 A 32 32 LEU CB C 32 40.912 41.651 -0.739 1
1 342 . 19 1 1 A 32 32 LEU N N 32 117.541 124.758 -7.217 1
1 343 . 19 1 1 A 33 33 ARG H H 33 7.914 8.146 -0.232 1
1 344 . 19 1 1 A 33 33 ARG HA H 33 4.070 3.791 0.279 1
1 351 . 19 1 1 A 33 33 ARG CA C 33 58.815 59.506 -0.691 1
1 352 . 19 1 1 A 33 33 ARG CB C 33 29.393 29.679 -0.286 1
1 355 . 19 1 1 A 33 33 ARG N N 33 118.510 119.487 -0.977 1
1 356 . 19 1 1 A 34 34 TYR H H 34 8.211 8.260 -0.049 1
1 357 . 19 1 1 A 34 34 TYR HA H 34 4.533 4.252 0.281 1
1 364 . 19 1 1 A 34 34 TYR CA C 34 59.593 61.245 -1.652 1
1 365 . 19 1 1 A 34 34 TYR CB C 34 37.021 38.548 -1.527 1
1 368 . 19 1 1 A 34 34 TYR N N 34 116.416 120.797 -4.381 1
1 369 . 19 1 1 A 35 35 LEU H H 35 7.904 8.925 -1.021 1
1 370 . 19 1 1 A 35 35 LEU HA H 35 3.670 4.016 -0.346 1
1 380 . 19 1 1 A 35 35 LEU CA C 35 57.967 58.056 -0.089 1
1 381 . 19 1 1 A 35 35 LEU CB C 35 40.740 41.653 -0.913 1
1 385 . 19 1 1 A 35 35 LEU N N 35 118.885 121.091 -2.206 1
1 386 . 19 1 1 A 36 36 GLU H H 36 8.662 8.390 0.272 1
1 387 . 19 1 1 A 36 36 GLU HA H 36 3.993 4.201 -0.208 1
1 392 . 19 1 1 A 36 36 GLU CA C 36 59.749 59.176 0.573 1
1 393 . 19 1 1 A 36 36 GLU CB C 36 29.887 29.908 -0.021 1
1 395 . 19 1 1 A 36 36 GLU N N 36 120.936 119.837 1.099 1
1 396 . 19 1 1 A 37 37 LEU H H 37 8.195 7.462 0.733 1
1 397 . 19 1 1 A 37 37 LEU HA H 37 3.979 4.295 -0.316 1
1 407 . 19 1 1 A 37 37 LEU CA C 37 56.947 55.666 1.281 1
1 408 . 19 1 1 A 37 37 LEU CB C 37 42.936 42.620 0.316 1
1 412 . 19 1 1 A 37 37 LEU N N 37 116.413 118.186 -1.773 1
1 413 . 19 1 1 A 38 38 TYR H H 38 7.663 8.106 -0.443 1
1 414 . 19 1 1 A 38 38 TYR HA H 38 4.951 4.001 0.950 1
1 421 . 19 1 1 A 38 38 TYR CA C 38 58.581 61.047 -2.466 1
1 422 . 19 1 1 A 38 38 TYR CB C 38 41.068 38.458 2.610 1
1 425 . 19 1 1 A 38 38 TYR N N 38 110.509 120.085 -9.576 1
1 426 . 19 1 1 A 39 39 ILE H H 39 7.833 7.877 -0.044 1
1 427 . 19 1 1 A 39 39 ILE HA H 39 4.642 3.686 0.956 1
1 437 . 19 1 1 A 39 39 ILE CA C 39 60.000 62.150 -2.150 1
1 438 . 19 1 1 A 39 39 ILE CB C 39 37.111 38.958 -1.847 1
1 442 . 19 1 1 A 39 39 ILE N N 39 116.068 118.313 -2.245 1
1 443 . 19 1 1 A 40 40 PHE H H 40 9.117 7.341 1.776 1
1 444 . 19 1 1 A 40 40 PHE HA H 40 4.634 4.965 -0.331 1
1 452 . 19 1 1 A 40 40 PHE CA C 40 57.492 54.891 2.601 1
1 453 . 19 1 1 A 40 40 PHE CB C 40 34.374 38.878 -4.504 1
1 457 . 19 1 1 A 40 40 PHE N N 40 121.241 119.397 1.844 1
1 458 . 19 1 1 A 41 41 PRO HA H 41 4.388 4.371 0.017 1
1 465 . 19 1 1 A 41 41 PRO CA C 41 66.132 65.973 0.159 1
1 466 . 19 1 1 A 41 41 PRO CB C 41 31.261 31.479 -0.218 1
1 469 . 19 1 1 A 42 42 HIS H H 42 7.153 7.659 -0.506 1
1 470 . 19 1 1 A 42 42 HIS HA H 42 4.678 4.591 0.087 1
1 474 . 19 1 1 A 42 42 HIS CA C 42 57.336 57.889 -0.553 1
1 475 . 19 1 1 A 42 42 HIS CB C 42 32.895 30.987 1.908 1
1 477 . 19 1 1 A 42 42 HIS N N 42 111.205 116.265 -5.060 1
1 478 . 19 1 1 A 43 43 ILE H H 43 7.327 7.844 -0.517 1
1 479 . 19 1 1 A 43 43 ILE HA H 43 4.938 4.040 0.898 1
1 489 . 19 1 1 A 43 43 ILE CA C 43 60.527 61.276 -0.749 1
1 490 . 19 1 1 A 43 43 ILE CB C 43 40.445 37.476 2.969 1
1 494 . 19 1 1 A 43 43 ILE N N 43 105.996 113.627 -7.631 1
1 495 . 19 1 1 A 44 44 GLY H H 44 8.958 8.343 0.615 1
1 496 . 19 1 1 A 44 44 GLY HA2 H 44 4.340 3.624 0.716 1
1 497 . 19 1 1 A 44 44 GLY HA3 H 44 3.855 3.839 0.016 1
1 498 . 19 1 1 A 44 44 GLY CA C 44 48.385 45.877 2.508 1
1 499 . 19 1 1 A 44 44 GLY N N 44 110.704 112.737 -2.033 1
1 500 . 19 1 1 A 45 45 SER H H 45 8.294 7.878 0.416 1
1 501 . 19 1 1 A 45 45 SER HA H 45 4.517 4.443 0.074 1
1 504 . 19 1 1 A 45 45 SER CA C 45 58.270 57.835 0.435 1
1 505 . 19 1 1 A 45 45 SER CB C 45 63.563 64.142 -0.579 1
1 506 . 19 1 1 A 45 45 SER N N 45 110.505 112.450 -1.945 1
1 507 . 19 1 1 A 46 46 SER H H 46 7.689 7.345 0.344 1
1 508 . 19 1 1 A 46 46 SER HA H 46 4.322 4.837 -0.515 1
1 511 . 19 1 1 A 46 46 SER CA C 46 59.282 58.156 1.126 1
1 512 . 19 1 1 A 46 46 SER CB C 46 63.719 64.449 -0.730 1
1 513 . 19 1 1 A 46 46 SER N N 46 119.190 117.662 1.528 1
1 514 . 19 1 1 A 47 47 ASP H H 47 8.646 8.914 -0.268 1
1 515 . 19 1 1 A 47 47 ASP HA H 47 4.446 4.752 -0.306 1
1 518 . 19 1 1 A 47 47 ASP CA C 47 54.145 53.978 0.167 1
1 519 . 19 1 1 A 47 47 ASP CB C 47 41.652 41.647 0.005 1
1 520 . 19 1 1 A 47 47 ASP N N 47 124.868 123.360 1.508 1
1 521 . 19 1 1 A 48 48 ILE H H 48 9.406 8.758 0.648 1
1 522 . 19 1 1 A 48 48 ILE HA H 48 4.091 4.179 -0.088 1
1 532 . 19 1 1 A 48 48 ILE CA C 48 63.844 63.310 0.534 1
1 533 . 19 1 1 A 48 48 ILE CB C 48 39.845 38.167 1.678 1
1 537 . 19 1 1 A 48 48 ILE N N 48 129.573 126.326 3.247 1
1 538 . 19 1 1 A 49 49 ARG H H 49 9.004 8.503 0.501 1
1 539 . 19 1 1 A 49 49 ARG HA H 49 4.166 4.169 -0.003 1
1 546 . 19 1 1 A 49 49 ARG CA C 49 57.534 57.651 -0.117 1
1 547 . 19 1 1 A 49 49 ARG CB C 49 29.870 29.764 0.106 1
1 548 . 19 1 1 A 49 49 ARG N N 49 119.541 119.254 0.287 1
1 549 . 19 1 1 A 50 50 GLN H H 50 7.868 7.637 0.231 1
1 550 . 19 1 1 A 50 50 GLN HA H 50 4.498 4.572 -0.074 1
1 557 . 19 1 1 A 50 50 GLN CA C 50 54.633 55.583 -0.950 1
1 558 . 19 1 1 A 50 50 GLN CB C 50 29.548 28.914 0.634 1
1 560 . 19 1 1 A 50 50 GLN N N 50 114.374 119.436 -5.062 1
1 562 . 19 1 1 A 51 51 LEU H H 51 6.799 8.825 -2.026 1
1 563 . 19 1 1 A 51 51 LEU HA H 51 4.516 5.091 -0.575 1
1 573 . 19 1 1 A 51 51 LEU CA C 51 54.519 54.103 0.416 1
1 574 . 19 1 1 A 51 51 LEU CB C 51 43.014 44.676 -1.662 1
1 578 . 19 1 1 A 51 51 LEU N N 51 119.548 128.582 -9.034 1
1 579 . 19 1 1 A 52 52 LYS H H 52 10.373 8.509 1.864 1
1 580 . 19 1 1 A 52 52 LYS HA H 52 4.725 4.817 -0.092 1
1 589 . 19 1 1 A 52 52 LYS CA C 52 53.806 54.274 -0.468 1
1 590 . 19 1 1 A 52 52 LYS CB C 52 34.394 35.289 -0.895 1
1 594 . 19 1 1 A 52 52 LYS N N 52 125.943 123.679 2.264 1
1 595 . 19 1 1 A 53 53 THR H H 53 8.724 8.865 -0.141 1
1 596 . 19 1 1 A 53 53 THR HA H 53 4.727 4.578 0.149 1
1 601 . 19 1 1 A 53 53 THR CA C 53 57.570 61.227 -3.657 1
1 602 . 19 1 1 A 53 53 THR CB C 53 68.467 70.570 -2.103 1
1 604 . 19 1 1 A 53 53 THR N N 53 117.533 113.929 3.604 1
1 605 . 19 1 1 A 54 54 SER H H 54 8.416 8.722 -0.306 1
1 606 . 19 1 1 A 54 54 SER HA H 54 4.743 4.233 0.510 1
1 609 . 19 1 1 A 54 54 SER CA C 54 61.306 59.777 1.529 1
1 610 . 19 1 1 A 54 54 SER CB C 54 61.132 62.518 -1.386 1
1 611 . 19 1 1 A 54 54 SER N N 54 112.941 115.371 -2.430 1
1 612 . 19 1 1 A 55 55 HIS H H 55 7.077 7.736 -0.659 1
1 613 . 19 1 1 A 55 55 HIS HA H 55 4.425 4.319 0.106 1
1 617 . 19 1 1 A 55 55 HIS CA C 55 58.659 59.117 -0.458 1
1 618 . 19 1 1 A 55 55 HIS CB C 55 33.051 30.159 2.892 1
1 620 . 19 1 1 A 55 55 HIS N N 55 120.680 119.267 1.413 1
1 621 . 19 1 1 A 56 56 LEU H H 56 7.410 7.486 -0.076 1
1 622 . 19 1 1 A 56 56 LEU HA H 56 3.916 3.970 -0.054 1
1 632 . 19 1 1 A 56 56 LEU CA C 56 56.558 57.489 -0.931 1
1 633 . 19 1 1 A 56 56 LEU CB C 56 42.547 41.560 0.987 1
1 637 . 19 1 1 A 56 56 LEU N N 56 115.029 115.553 -0.524 1
1 638 . 19 1 1 A 57 57 LEU H H 57 7.906 7.744 0.162 1
1 639 . 19 1 1 A 57 57 LEU HA H 57 4.073 4.076 -0.003 1
1 649 . 19 1 1 A 57 57 LEU CA C 57 56.047 57.281 -1.234 1
1 650 . 19 1 1 A 57 57 LEU CB C 57 42.575 41.045 1.530 1
1 654 . 19 1 1 A 57 57 LEU N N 57 113.214 121.974 -8.760 1
1 655 . 19 1 1 A 58 58 ALA H H 58 7.367 7.982 -0.615 1
1 656 . 19 1 1 A 58 58 ALA HA H 58 4.176 4.032 0.144 1
1 660 . 19 1 1 A 58 58 ALA CA C 58 57.049 57.209 -0.160 1
1 661 . 19 1 1 A 58 58 ALA CB C 58 15.362 17.181 -1.819 1
1 662 . 19 1 1 A 58 58 ALA N N 58 120.662 121.310 -0.648 1
1 663 . 19 1 1 A 59 59 PRO HA H 59 4.133 4.335 -0.202 1
1 670 . 19 1 1 A 59 59 PRO CA C 59 65.120 65.523 -0.403 1
1 671 . 19 1 1 A 59 59 PRO CB C 59 31.183 30.743 0.440 1
1 674 . 19 1 1 A 60 60 ILE H H 60 6.643 7.433 -0.790 1
1 675 . 19 1 1 A 60 60 ILE HA H 60 3.383 3.807 -0.424 1
1 685 . 19 1 1 A 60 60 ILE CA C 60 64.886 63.923 0.963 1
1 686 . 19 1 1 A 60 60 ILE CB C 60 37.799 36.658 1.141 1
1 690 . 19 1 1 A 60 60 ILE N N 60 117.809 116.697 1.112 1
1 691 . 19 1 1 A 61 61 LYS H H 61 8.635 8.235 0.400 1
1 692 . 19 1 1 A 61 61 LYS HA H 61 3.992 4.418 -0.426 1
1 701 . 19 1 1 A 61 61 LYS CA C 61 59.048 58.749 0.299 1
1 702 . 19 1 1 A 61 61 LYS CB C 61 31.678 31.682 -0.004 1
1 706 . 19 1 1 A 61 61 LYS N N 61 120.585 120.492 0.093 1
1 707 . 19 1 1 A 62 62 GLU H H 62 7.664 7.691 -0.027 1
1 708 . 19 1 1 A 62 62 GLU HA H 62 3.992 4.060 -0.068 1
1 713 . 19 1 1 A 62 62 GLU CA C 62 59.593 58.961 0.632 1
1 714 . 19 1 1 A 62 62 GLU CB C 62 28.975 29.606 -0.631 1
1 716 . 19 1 1 A 62 62 GLU N N 62 118.505 119.629 -1.124 1
1 717 . 19 1 1 A 63 63 VAL H H 63 7.227 7.631 -0.404 1
1 718 . 19 1 1 A 63 63 VAL HA H 63 3.545 3.719 -0.174 1
1 726 . 19 1 1 A 63 63 VAL CA C 63 65.663 66.362 -0.699 1
1 727 . 19 1 1 A 63 63 VAL CB C 63 31.650 31.677 -0.027 1
1 730 . 19 1 1 A 63 63 VAL N N 63 119.540 120.323 -0.783 1
1 731 . 19 1 1 A 64 64 ASP H H 64 8.281 8.820 -0.539 1
1 732 . 19 1 1 A 64 64 ASP HA H 64 3.984 4.342 -0.358 1
1 735 . 19 1 1 A 64 64 ASP CA C 64 58.860 56.724 2.136 1
1 736 . 19 1 1 A 64 64 ASP CB C 64 42.561 39.560 3.001 1
1 737 . 19 1 1 A 64 64 ASP N N 64 122.316 119.751 2.565 1
1 738 . 19 1 1 A 65 65 THR H H 65 8.818 7.393 1.425 1
1 739 . 19 1 1 A 65 65 THR HA H 65 4.310 4.170 0.140 1
1 744 . 19 1 1 A 65 65 THR CA C 65 68.825 65.621 3.204 1
1 745 . 19 1 1 A 65 65 THR CB C 65 65.195 69.336 -4.141 1
1 747 . 19 1 1 A 65 65 THR N N 65 112.808 116.414 -3.606 1
1 748 . 19 1 1 A 66 66 SER H H 66 7.596 7.878 -0.282 1
1 749 . 19 1 1 A 66 66 SER HA H 66 4.469 4.661 -0.192 1
1 752 . 19 1 1 A 66 66 SER CA C 66 59.827 58.190 1.637 1
1 753 . 19 1 1 A 66 66 SER CB C 66 63.641 63.799 -0.158 1
1 754 . 19 1 1 A 66 66 SER N N 66 116.412 112.890 3.522 1
1 755 . 19 1 1 A 67 67 GLY H H 67 7.781 7.808 -0.027 1
1 756 . 19 1 1 A 67 67 GLY HA2 H 67 4.467 4.085 0.382 1
1 757 . 19 1 1 A 67 67 GLY HA3 H 67 3.355 4.088 -0.733 1
1 758 . 19 1 1 A 67 67 GLY CA C 67 44.337 44.742 -0.405 1
1 759 . 19 1 1 A 67 67 GLY N N 67 108.565 108.376 0.189 1
1 760 . 19 1 1 A 68 68 LYS H H 68 6.932 8.563 -1.631 1
1 761 . 19 1 1 A 68 68 LYS HA H 68 4.706 4.494 0.212 1
1 770 . 19 1 1 A 68 68 LYS CA C 68 54.145 55.287 -1.142 1
1 771 . 19 1 1 A 68 68 LYS CB C 68 30.325 32.456 -2.131 1
1 775 . 19 1 1 A 68 68 LYS N N 68 121.979 122.407 -0.428 1
1 776 . 19 1 1 A 69 69 HIS H H 69 7.630 8.849 -1.219 1
1 777 . 19 1 1 A 69 69 HIS HA H 69 4.544 4.241 0.303 1
1 780 . 19 1 1 A 69 69 HIS CA C 69 58.270 59.284 -1.014 1
1 781 . 19 1 1 A 69 69 HIS CB C 69 28.303 29.271 -0.968 1
1 782 . 19 1 1 A 69 69 HIS N N 69 119.617 122.954 -3.337 1
1 783 . 19 1 1 A 70 70 ASP H H 70 8.779 7.963 0.816 1
1 784 . 19 1 1 A 70 70 ASP HA H 70 4.330 4.172 0.158 1
1 787 . 19 1 1 A 70 70 ASP CA C 70 56.869 57.052 -0.183 1
1 788 . 19 1 1 A 70 70 ASP CB C 70 39.433 40.919 -1.486 1
1 789 . 19 1 1 A 70 70 ASP N N 70 118.586 121.925 -3.339 1
1 790 . 19 1 1 A 71 71 VAL H H 71 7.575 8.082 -0.507 1
1 791 . 19 1 1 A 71 71 VAL HA H 71 3.232 3.797 -0.565 1
1 799 . 19 1 1 A 71 71 VAL CA C 71 66.131 65.002 1.129 1
1 800 . 19 1 1 A 71 71 VAL CB C 71 31.105 31.305 -0.200 1
1 803 . 19 1 1 A 71 71 VAL N N 71 121.186 118.546 2.640 1
1 804 . 19 1 1 A 72 72 ALA H H 72 8.022 7.989 0.033 1
1 805 . 19 1 1 A 72 72 ALA HA H 72 3.682 3.921 -0.239 1
1 809 . 19 1 1 A 72 72 ALA CA C 72 55.702 55.894 -0.192 1
1 810 . 19 1 1 A 72 72 ALA CB C 72 18.028 18.522 -0.494 1
1 811 . 19 1 1 A 72 72 ALA N N 72 120.675 123.528 -2.853 1
1 812 . 19 1 1 A 73 73 GLN H H 73 7.793 8.221 -0.428 1
1 813 . 19 1 1 A 73 73 GLN HA H 73 3.971 3.953 0.018 1
1 820 . 19 1 1 A 73 73 GLN CA C 73 58.872 59.031 -0.159 1
1 821 . 19 1 1 A 73 73 GLN CB C 73 28.073 28.623 -0.550 1
1 823 . 19 1 1 A 73 73 GLN N N 73 115.949 117.492 -1.543 1
1 825 . 19 1 1 A 74 74 ARG H H 74 7.795 7.584 0.211 1
1 826 . 19 1 1 A 74 74 ARG HA H 74 4.108 4.077 0.031 1
1 833 . 19 1 1 A 74 74 ARG CA C 74 59.282 58.937 0.345 1
1 834 . 19 1 1 A 74 74 ARG CB C 74 29.857 29.852 0.005 1
1 837 . 19 1 1 A 74 74 ARG N N 74 119.896 119.150 0.746 1
1 838 . 19 1 1 A 75 75 LEU H H 75 8.850 8.382 0.468 1
1 839 . 19 1 1 A 75 75 LEU HA H 75 3.935 3.967 -0.032 1
1 849 . 19 1 1 A 75 75 LEU CA C 75 57.803 57.894 -0.091 1
1 850 . 19 1 1 A 75 75 LEU CB C 75 42.858 41.599 1.259 1
1 854 . 19 1 1 A 75 75 LEU N N 75 118.044 121.940 -3.896 1
1 855 . 19 1 1 A 76 76 GLN H H 76 8.412 8.586 -0.174 1
1 856 . 19 1 1 A 76 76 GLN HA H 76 3.790 3.925 -0.135 1
1 861 . 19 1 1 A 76 76 GLN CA C 76 60.294 58.801 1.493 1
1 862 . 19 1 1 A 76 76 GLN CB C 76 27.995 28.102 -0.107 1
1 864 . 19 1 1 A 76 76 GLN N N 76 119.109 116.992 2.117 1
1 865 . 19 1 1 A 77 77 GLN H H 77 7.788 7.972 -0.184 1
1 866 . 19 1 1 A 77 77 GLN HA H 77 4.090 3.990 0.100 1
1 873 . 19 1 1 A 77 77 GLN CA C 77 59.318 58.914 0.404 1
1 874 . 19 1 1 A 77 77 GLN CB C 77 28.054 28.322 -0.268 1
1 876 . 19 1 1 A 77 77 GLN N N 77 119.616 119.177 0.439 1
1 878 . 19 1 1 A 78 78 ARG H H 78 8.552 7.563 0.989 1
1 879 . 19 1 1 A 78 78 ARG HA H 78 4.171 3.963 0.208 1
1 886 . 19 1 1 A 78 78 ARG CA C 78 57.946 59.060 -1.114 1
1 887 . 19 1 1 A 78 78 ARG CB C 78 28.958 29.935 -0.977 1
1 890 . 19 1 1 A 78 78 ARG N N 78 118.044 118.930 -0.886 1
1 891 . 19 1 1 A 79 79 VAL H H 79 8.958 7.589 1.369 1
1 892 . 19 1 1 A 79 79 VAL HA H 79 3.603 3.629 -0.026 1
1 900 . 19 1 1 A 79 79 VAL CA C 79 67.284 66.035 1.249 1
1 901 . 19 1 1 A 79 79 VAL CB C 79 31.228 31.669 -0.441 1
1 904 . 19 1 1 A 79 79 VAL N N 79 116.998 119.704 -2.706 1
1 905 . 19 1 1 A 80 80 THR H H 80 7.938 8.118 -0.180 1
1 906 . 19 1 1 A 80 80 THR HA H 80 4.301 3.862 0.439 1
1 911 . 19 1 1 A 80 80 THR CA C 80 67.976 66.094 1.882 1
1 912 . 19 1 1 A 80 80 THR CB C 80 67.466 68.415 -0.949 1
1 914 . 19 1 1 A 80 80 THR N N 80 115.701 115.997 -0.296 1
1 915 . 19 1 1 A 81 81 ALA H H 81 7.656 7.550 0.106 1
1 916 . 19 1 1 A 81 81 ALA HA H 81 4.070 4.001 0.069 1
1 920 . 19 1 1 A 81 81 ALA CA C 81 55.232 54.414 0.818 1
1 921 . 19 1 1 A 81 81 ALA CB C 81 18.087 18.110 -0.023 1
1 922 . 19 1 1 A 81 81 ALA N N 81 124.407 122.941 1.466 1
1 923 . 19 1 1 A 82 82 ILE H H 82 7.901 7.590 0.311 1
1 924 . 19 1 1 A 82 82 ILE HA H 82 2.733 3.527 -0.794 1
1 934 . 19 1 1 A 82 82 ILE CA C 82 65.450 64.538 0.912 1
1 935 . 19 1 1 A 82 82 ILE CB C 82 37.569 36.593 0.976 1
1 939 . 19 1 1 A 82 82 ILE N N 82 121.196 119.255 1.941 1
1 940 . 19 1 1 A 83 83 MET H H 83 8.258 7.806 0.452 1
1 941 . 19 1 1 A 83 83 MET HA H 83 4.556 4.041 0.515 1
1 949 . 19 1 1 A 83 83 MET CA C 83 56.403 59.282 -2.879 1
1 950 . 19 1 1 A 83 83 MET CB C 83 29.782 32.540 -2.758 1
1 953 . 19 1 1 A 83 83 MET N N 83 120.154 118.592 1.562 1
1 954 . 19 1 1 A 84 84 ARG H H 84 7.915 8.255 -0.340 1
1 955 . 19 1 1 A 84 84 ARG HA H 84 4.039 4.014 0.025 1
1 962 . 19 1 1 A 84 84 ARG CA C 84 59.749 58.565 1.184 1
1 963 . 19 1 1 A 84 84 ARG CB C 84 30.000 29.830 0.170 1
1 966 . 19 1 1 A 84 84 ARG N N 84 116.534 117.899 -1.365 1
1 967 . 19 1 1 A 85 85 TYR H H 85 8.221 7.535 0.686 1
1 968 . 19 1 1 A 85 85 TYR HA H 85 4.255 4.304 -0.049 1
1 975 . 19 1 1 A 85 85 TYR CA C 85 61.382 61.218 0.164 1
1 976 . 19 1 1 A 85 85 TYR CB C 85 38.499 37.914 0.585 1
1 979 . 19 1 1 A 85 85 TYR N N 85 122.313 119.300 3.013 1
1 980 . 19 1 1 A 86 86 ALA H H 86 8.804 8.036 0.768 1
1 981 . 19 1 1 A 86 86 ALA HA H 86 4.223 4.205 0.018 1
1 985 . 19 1 1 A 86 86 ALA CA C 86 55.043 55.188 -0.145 1
1 986 . 19 1 1 A 86 86 ALA CB C 86 18.087 18.292 -0.205 1
1 987 . 19 1 1 A 86 86 ALA N N 86 123.291 123.033 0.258 1
1 988 . 19 1 1 A 87 87 VAL H H 87 8.113 8.584 -0.471 1
1 989 . 19 1 1 A 87 87 VAL HA H 87 4.170 3.592 0.578 1
1 997 . 19 1 1 A 87 87 VAL CA C 87 65.146 66.395 -1.249 1
1 998 . 19 1 1 A 87 87 VAL CB C 87 31.897 31.208 0.689 1
1 1001 . 19 1 1 A 87 87 VAL N N 87 120.144 118.553 1.591 1
1 1002 . 19 1 1 A 88 88 GLN H H 88 8.458 8.259 0.199 1
1 1003 . 19 1 1 A 88 88 GLN HA H 88 3.983 4.012 -0.029 1
1 1010 . 19 1 1 A 88 88 GLN CA C 88 58.270 58.989 -0.719 1
1 1011 . 19 1 1 A 88 88 GLN CB C 88 28.075 28.437 -0.362 1
1 1013 . 19 1 1 A 88 88 GLN N N 88 120.751 119.427 1.324 1
1 1015 . 19 1 1 A 89 89 ASN H H 89 7.359 7.479 -0.120 1
1 1016 . 19 1 1 A 89 89 ASN HA H 89 4.486 4.708 -0.222 1
1 1021 . 19 1 1 A 89 89 ASN CA C 89 53.444 52.440 1.004 1
1 1022 . 19 1 1 A 89 89 ASN CB C 89 38.932 39.483 -0.551 1
1 1023 . 19 1 1 A 89 89 ASN N N 89 113.850 114.525 -0.675 1
1 1025 . 19 1 1 A 90 90 ASP H H 90 7.849 8.208 -0.359 1
1 1026 . 19 1 1 A 90 90 ASP HA H 90 4.387 4.297 0.090 1
1 1029 . 19 1 1 A 90 90 ASP CA C 90 55.935 54.745 1.190 1
1 1030 . 19 1 1 A 90 90 ASP CB C 90 38.811 39.098 -0.287 1
1 1031 . 19 1 1 A 90 90 ASP N N 90 113.293 118.229 -4.936 1
1 1032 . 19 1 1 A 91 91 TYR H H 91 8.489 8.290 0.199 1
1 1033 . 19 1 1 A 91 91 TYR HA H 91 4.589 4.592 -0.003 1
1 1040 . 19 1 1 A 91 91 TYR CA C 91 60.000 58.675 1.325 1
1 1041 . 19 1 1 A 91 91 TYR CB C 91 38.811 39.283 -0.472 1
1 1044 . 19 1 1 A 91 91 TYR N N 91 116.072 124.070 -7.998 1
1 1045 . 19 1 1 A 92 92 ILE H H 92 7.131 7.260 -0.129 1
1 1046 . 19 1 1 A 92 92 ILE HA H 92 4.684 4.302 0.382 1
1 1056 . 19 1 1 A 92 92 ILE CA C 92 59.126 62.108 -2.982 1
1 1057 . 19 1 1 A 92 92 ILE CB C 92 41.846 39.608 2.238 1
1 1061 . 19 1 1 A 92 92 ILE N N 92 107.409 112.326 -4.917 1
1 1062 . 19 1 1 A 93 93 ASP H H 93 8.731 8.734 -0.003 1
1 1063 . 19 1 1 A 93 93 ASP HA H 93 4.707 4.287 0.420 1
1 1066 . 19 1 1 A 93 93 ASP CA C 93 54.689 55.418 -0.729 1
1 1067 . 19 1 1 A 93 93 ASP CB C 93 41.924 40.312 1.612 1
1 1068 . 19 1 1 A 93 93 ASP N N 93 118.847 122.602 -3.755 1
1 1069 . 19 1 1 A 94 94 SER H H 94 7.638 8.323 -0.685 1
1 1070 . 19 1 1 A 94 94 SER HA H 94 4.491 4.666 -0.175 1
1 1073 . 19 1 1 A 94 94 SER CA C 94 57.102 58.151 -1.049 1
1 1074 . 19 1 1 A 94 94 SER CB C 94 64.186 65.795 -1.609 1
1 1075 . 19 1 1 A 94 94 SER N N 94 112.240 113.392 -1.152 1
1 1076 . 19 1 1 A 95 95 ASN H H 95 8.801 8.155 0.646 1
1 1077 . 19 1 1 A 95 95 ASN HA H 95 4.942 4.386 0.556 1
1 1082 . 19 1 1 A 95 95 ASN CA C 95 49.941 53.967 -4.026 1
1 1083 . 19 1 1 A 95 95 ASN CB C 95 39.356 37.021 2.335 1
1 1084 . 19 1 1 A 95 95 ASN N N 95 119.551 119.173 0.378 1
1 1086 . 19 1 1 A 96 96 PRO HA H 96 4.632 4.517 0.115 1
1 1093 . 19 1 1 A 96 96 PRO CA C 96 63.564 62.546 1.018 1
1 1094 . 19 1 1 A 96 96 PRO CB C 96 32.058 32.612 -0.554 1
1 1097 . 19 1 1 A 97 97 ALA H H 97 8.335 8.601 -0.266 1
1 1098 . 19 1 1 A 97 97 ALA HA H 97 4.436 3.970 0.466 1
1 1102 . 19 1 1 A 97 97 ALA CA C 97 52.055 54.166 -2.111 1
1 1103 . 19 1 1 A 97 97 ALA CB C 97 18.998 17.965 1.033 1
1 1104 . 19 1 1 A 97 97 ALA N N 97 121.226 119.762 1.464 1
1 1105 . 19 1 1 A 98 98 SER H H 98 7.600 8.257 -0.657 1
1 1106 . 19 1 1 A 98 98 SER HA H 98 4.168 4.267 -0.099 1
1 1109 . 19 1 1 A 98 98 SER CA C 98 60.372 61.112 -0.740 1
1 1110 . 19 1 1 A 98 98 SER CB C 98 63.018 63.086 -0.068 1
1 1111 . 19 1 1 A 98 98 SER N N 98 114.935 110.586 4.349 1
1 1112 . 19 1 1 A 99 99 ASP H H 99 8.098 7.957 0.141 1
1 1113 . 19 1 1 A 99 99 ASP HA H 99 4.760 4.628 0.132 1
1 1116 . 19 1 1 A 99 99 ASP CA C 99 54.300 53.525 0.775 1
1 1117 . 19 1 1 A 99 99 ASP CB C 99 40.835 39.873 0.962 1
1 1118 . 19 1 1 A 99 99 ASP N N 99 119.889 120.517 -0.628 1
1 1119 . 19 1 1 A 100 100 MET H H 100 7.885 8.221 -0.336 1
1 1120 . 19 1 1 A 100 100 MET HA H 100 4.205 4.719 -0.514 1
1 1128 . 19 1 1 A 100 100 MET CA C 100 57.025 56.947 0.078 1
1 1129 . 19 1 1 A 100 100 MET CB C 100 33.038 35.061 -2.023 1
1 1132 . 19 1 1 A 100 100 MET N N 100 119.185 126.369 -7.184 1
1 1133 . 19 1 1 A 101 101 ALA H H 101 8.041 7.888 0.153 1
1 1134 . 19 1 1 A 101 101 ALA HA H 101 4.137 4.803 -0.666 1
1 1138 . 19 1 1 A 101 101 ALA CA C 101 53.655 50.812 2.843 1
1 1139 . 19 1 1 A 101 101 ALA CB C 101 18.537 22.610 -4.073 1
1 1140 . 19 1 1 A 101 101 ALA N N 101 122.264 120.875 1.389 1
1 1141 . 19 1 1 A 102 102 GLY H H 102 8.293 8.296 -0.003 1
1 1142 . 19 1 1 A 102 102 GLY HA2 H 102 3.910 4.267 -0.357 1
1 1143 . 19 1 1 A 102 102 GLY HA3 H 102 3.913 4.267 -0.354 1
1 1144 . 19 1 1 A 102 102 GLY CA C 102 45.664 46.067 -0.403 1
1 1145 . 19 1 1 A 102 102 GLY N N 102 107.557 106.479 1.078 1
1 1146 . 19 1 1 A 103 103 ALA H H 103 7.955 8.116 -0.161 1
1 1147 . 19 1 1 A 103 103 ALA HA H 103 4.235 4.528 -0.293 1
1 1151 . 19 1 1 A 103 103 ALA CA C 103 53.423 51.338 2.085 1
1 1152 . 19 1 1 A 103 103 ALA CB C 103 19.219 18.540 0.679 1
1 1153 . 19 1 1 A 103 103 ALA N N 103 123.285 125.183 -1.898 1
1 1154 . 19 1 1 A 104 104 LEU H H 104 8.145 8.414 -0.269 1
1 1155 . 19 1 1 A 104 104 LEU HA H 104 4.301 4.307 -0.006 1
1 1165 . 19 1 1 A 104 104 LEU CA C 104 55.312 57.638 -2.326 1
1 1166 . 19 1 1 A 104 104 LEU CB C 104 41.644 42.266 -0.622 1
1 1170 . 19 1 1 A 104 104 LEU N N 104 118.570 125.590 -7.020 1
1 1171 . 19 1 1 A 105 105 SER H H 105 8.040 8.177 -0.137 1
1 1172 . 19 1 1 A 105 105 SER HA H 105 4.390 4.734 -0.344 1
1 1175 . 19 1 1 A 105 105 SER CA C 105 58.893 57.051 1.842 1
1 1176 . 19 1 1 A 105 105 SER CB C 105 63.424 64.277 -0.853 1
1 1177 . 19 1 1 A 105 105 SER N N 105 115.022 110.729 4.293 1
1 1178 . 19 1 1 A 106 106 THR H H 106 8.032 7.659 0.373 1
1 1179 . 19 1 1 A 106 106 THR HA H 106 4.293 4.683 -0.390 1
1 1184 . 19 1 1 A 106 106 THR CA C 106 62.037 61.221 0.816 1
1 1185 . 19 1 1 A 106 106 THR CB C 106 69.401 68.466 0.935 1
1 1187 . 19 1 1 A 106 106 THR N N 106 115.371 114.342 1.029 1
1 1188 . 19 1 1 A 107 107 THR H H 107 7.940 8.180 -0.240 1
1 1189 . 19 1 1 A 107 107 THR HA H 107 4.296 4.863 -0.567 1
1 1194 . 19 1 1 A 107 107 THR CA C 107 61.539 60.841 0.698 1
1 1195 . 19 1 1 A 107 107 THR CB C 107 61.610 72.659 -11.049 1
1 1197 . 19 1 1 A 107 107 THR N N 107 122.759 120.484 2.275 1
1 1198 . 19 1 1 A 108 108 LYS H H 108 8.240 8.698 -0.458 1
1 1199 . 19 1 1 A 108 108 LYS HA H 108 4.241 5.044 -0.803 1
1 1208 . 19 1 1 A 108 108 LYS CA C 108 56.324 54.483 1.841 1
1 1209 . 19 1 1 A 108 108 LYS CB C 108 32.817 36.858 -4.041 1
1 1213 . 19 1 1 A 108 108 LYS N N 108 124.773 120.787 3.986 1
1 1214 . 19 1 1 A 109 109 ALA H H 109 8.131 8.443 -0.312 1
1 1215 . 19 1 1 A 109 109 ALA HA H 109 4.224 4.741 -0.517 1
1 1219 . 19 1 1 A 109 109 ALA CA C 109 52.432 51.390 1.042 1
1 1220 . 19 1 1 A 109 109 ALA CB C 109 19.017 19.769 -0.752 1
1 1221 . 19 1 1 A 109 109 ALA N N 109 124.331 121.342 2.989 1
1 1222 . 19 1 1 A 110 110 ARG H H 110 8.114 7.668 0.446 1
1 1223 . 19 1 1 A 110 110 ARG HA H 110 4.191 4.300 -0.109 1
1 1230 . 19 1 1 A 110 110 ARG CA C 110 56.013 57.019 -1.006 1
1 1231 . 19 1 1 A 110 110 ARG CB C 110 30.871 30.639 0.232 1
1 1234 . 19 1 1 A 110 110 ARG N N 110 119.544 120.104 -0.560 1
1 1235 . 19 1 1 A 111 111 HIS H H 111 8.283 8.653 -0.370 1
1 1236 . 19 1 1 A 111 111 HIS HA H 111 4.604 5.017 -0.413 1
1 1240 . 19 1 1 A 111 111 HIS CA C 111 55.448 55.163 0.285 1
1 1241 . 19 1 1 A 111 111 HIS CB C 111 29.866 31.577 -1.711 1
1 1243 . 19 1 1 A 111 111 HIS N N 111 119.886 123.468 -3.582 1
1 1244 . 19 1 1 A 112 112 TYR H H 112 8.179 8.459 -0.280 1
1 1245 . 19 1 1 A 112 112 TYR HA H 112 4.766 4.525 0.241 1
1 1252 . 19 1 1 A 112 112 TYR CA C 112 55.701 57.092 -1.391 1
1 1253 . 19 1 1 A 112 112 TYR CB C 112 38.110 40.792 -2.682 1
1 1256 . 19 1 1 A 112 112 TYR N N 112 122.673 126.754 -4.081 1
1 1257 . 19 1 1 A 113 113 PRO HA H 113 4.399 4.264 0.135 1
1 1264 . 19 1 1 A 113 113 PRO CA C 113 63.097 65.785 -2.688 1
1 1265 . 19 1 1 A 113 113 PRO CB C 113 31.684 31.333 0.351 1
1 1268 . 19 1 1 A 114 114 LEU H H 114 8.225 7.848 0.377 1
1 1269 . 19 1 1 A 114 114 LEU HA H 114 4.265 4.577 -0.312 1
1 1279 . 19 1 1 A 114 114 LEU CA C 114 55.069 55.404 -0.335 1
1 1280 . 19 1 1 A 114 114 LEU CB C 114 42.104 45.130 -3.026 1
1 1284 . 19 1 1 A 114 114 LEU N N 114 121.625 116.955 4.670 1
1 1285 . 19 1 1 A 115 115 GLU H H 115 8.273 8.145 0.128 1
1 1286 . 19 1 1 A 115 115 GLU HA H 115 4.202 4.161 0.041 1
1 1291 . 19 1 1 A 115 115 GLU CA C 115 56.402 58.854 -2.452 1
1 1292 . 19 1 1 A 115 115 GLU CB C 115 30.249 29.057 1.192 1
1 5 . 20 1 1 A 2 2 GLU HA H 2 4.399 4.512 -0.113 1
1 10 . 20 1 1 A 2 2 GLU CA C 2 56.358 56.164 0.194 1
1 11 . 20 1 1 A 2 2 GLU CB C 2 30.249 30.521 -0.272 1
1 13 . 20 1 1 A 3 3 ASN H H 3 8.699 8.742 -0.043 1
1 14 . 20 1 1 A 3 3 ASN HA H 3 4.753 5.134 -0.381 1
1 19 . 20 1 1 A 3 3 ASN CA C 3 53.211 52.385 0.826 1
1 20 . 20 1 1 A 3 3 ASN CB C 3 38.733 40.316 -1.583 1
1 21 . 20 1 1 A 3 3 ASN N N 3 120.234 121.312 -1.078 1
1 23 . 20 1 1 A 4 4 SER H H 4 8.428 8.815 -0.387 1
1 24 . 20 1 1 A 4 4 SER HA H 4 4.395 4.829 -0.434 1
1 27 . 20 1 1 A 4 4 SER CA C 4 59.048 57.176 1.872 1
1 28 . 20 1 1 A 4 4 SER CB C 4 63.485 63.181 0.304 1
1 29 . 20 1 1 A 4 4 SER N N 4 116.413 122.181 -5.768 1
1 30 . 20 1 1 A 5 5 GLY H H 5 8.525 8.832 -0.307 1
1 31 . 20 1 1 A 5 5 GLY HA2 H 5 3.970 3.945 0.025 1
1 32 . 20 1 1 A 5 5 GLY HA3 H 5 3.969 3.963 0.006 1
1 33 . 20 1 1 A 5 5 GLY CA C 5 45.717 47.293 -1.576 1
1 34 . 20 1 1 A 5 5 GLY N N 5 111.196 114.803 -3.607 1
1 35 . 20 1 1 A 6 6 ALA H H 6 7.941 7.994 -0.053 1
1 36 . 20 1 1 A 6 6 ALA HA H 6 4.206 3.983 0.223 1
1 40 . 20 1 1 A 6 6 ALA CA C 6 52.988 52.772 0.216 1
1 41 . 20 1 1 A 6 6 ALA CB C 6 19.429 17.039 2.390 1
1 42 . 20 1 1 A 6 6 ALA N N 6 123.277 119.270 4.007 1
1 43 . 20 1 1 A 7 7 TYR H H 7 8.351 8.133 0.218 1
1 44 . 20 1 1 A 7 7 TYR HA H 7 4.509 4.432 0.077 1
1 51 . 20 1 1 A 7 7 TYR CA C 7 57.528 57.130 0.398 1
1 52 . 20 1 1 A 7 7 TYR CB C 7 39.356 38.501 0.855 1
1 55 . 20 1 1 A 7 7 TYR N N 7 114.900 113.706 1.194 1
1 56 . 20 1 1 A 8 8 THR H H 8 7.735 8.107 -0.372 1
1 57 . 20 1 1 A 8 8 THR HA H 8 4.922 4.489 0.433 1
1 62 . 20 1 1 A 8 8 THR CA C 8 60.827 60.850 -0.023 1
1 63 . 20 1 1 A 8 8 THR CB C 8 70.109 72.165 -2.056 1
1 65 . 20 1 1 A 8 8 THR N N 8 110.856 118.441 -7.585 1
1 66 . 20 1 1 A 9 9 PHE H H 9 8.816 9.886 -1.070 1
1 67 . 20 1 1 A 9 9 PHE HA H 9 3.825 4.055 -0.230 1
1 75 . 20 1 1 A 9 9 PHE CA C 9 62.935 62.589 0.346 1
1 76 . 20 1 1 A 9 9 PHE CB C 9 39.373 39.381 -0.008 1
1 80 . 20 1 1 A 9 9 PHE N N 9 121.282 124.754 -3.472 1
1 81 . 20 1 1 A 10 10 GLU H H 10 9.741 8.325 1.416 1
1 82 . 20 1 1 A 10 10 GLU HA H 10 3.295 3.963 -0.668 1
1 87 . 20 1 1 A 10 10 GLU CA C 10 59.586 59.251 0.335 1
1 88 . 20 1 1 A 10 10 GLU CB C 10 28.453 29.356 -0.903 1
1 90 . 20 1 1 A 10 10 GLU N N 10 117.454 117.496 -0.042 1
1 91 . 20 1 1 A 11 11 THR H H 11 7.542 7.989 -0.447 1
1 92 . 20 1 1 A 11 11 THR HA H 11 3.667 3.864 -0.197 1
1 97 . 20 1 1 A 11 11 THR CA C 11 66.550 66.980 -0.430 1
1 98 . 20 1 1 A 11 11 THR CB C 11 66.557 67.987 -1.430 1
1 100 . 20 1 1 A 11 11 THR N N 11 115.970 118.190 -2.220 1
1 101 . 20 1 1 A 12 12 ILE H H 12 7.724 7.938 -0.214 1
1 102 . 20 1 1 A 12 12 ILE HA H 12 3.561 3.555 0.006 1
1 112 . 20 1 1 A 12 12 ILE CA C 12 63.395 65.262 -1.867 1
1 113 . 20 1 1 A 12 12 ILE CB C 12 36.233 37.615 -1.382 1
1 117 . 20 1 1 A 12 12 ILE N N 12 122.235 121.867 0.368 1
1 118 . 20 1 1 A 13 13 ALA H H 13 9.099 8.055 1.044 1
1 119 . 20 1 1 A 13 13 ALA HA H 13 3.975 3.386 0.589 1
1 123 . 20 1 1 A 13 13 ALA CA C 13 55.666 54.519 1.147 1
1 124 . 20 1 1 A 13 13 ALA CB C 13 20.126 18.001 2.125 1
1 125 . 20 1 1 A 13 13 ALA N N 13 122.259 121.568 0.691 1
1 126 . 20 1 1 A 14 14 ARG H H 14 8.600 7.869 0.731 1
1 127 . 20 1 1 A 14 14 ARG HA H 14 4.097 3.831 0.266 1
1 134 . 20 1 1 A 14 14 ARG CA C 14 60.889 58.886 2.003 1
1 135 . 20 1 1 A 14 14 ARG CB C 14 29.000 29.729 -0.729 1
1 138 . 20 1 1 A 14 14 ARG N N 14 116.993 118.637 -1.644 1
1 139 . 20 1 1 A 15 15 GLU H H 15 7.924 7.468 0.456 1
1 140 . 20 1 1 A 15 15 GLU HA H 15 4.085 3.951 0.134 1
1 145 . 20 1 1 A 15 15 GLU CA C 15 59.312 59.300 0.012 1
1 146 . 20 1 1 A 15 15 GLU CB C 15 29.866 29.490 0.376 1
1 148 . 20 1 1 A 15 15 GLU N N 15 122.758 118.655 4.103 1
1 149 . 20 1 1 A 16 16 TRP H H 16 8.864 7.735 1.129 1
1 150 . 20 1 1 A 16 16 TRP HA H 16 4.740 4.545 0.195 1
1 158 . 20 1 1 A 16 16 TRP CA C 16 60.839 58.740 2.099 1
1 159 . 20 1 1 A 16 16 TRP CB C 16 26.693 28.067 -1.374 1
1 163 . 20 1 1 A 16 16 TRP N N 16 122.323 120.141 2.182 1
1 165 . 20 1 1 A 17 17 HIS H H 17 8.803 7.404 1.399 1
1 166 . 20 1 1 A 17 17 HIS HA H 17 3.076 4.085 -1.009 1
1 170 . 20 1 1 A 17 17 HIS CA C 17 60.683 59.913 0.770 1
1 171 . 20 1 1 A 17 17 HIS CB C 17 30.772 29.312 1.460 1
1 173 . 20 1 1 A 17 17 HIS N N 17 121.293 120.773 0.520 1
1 174 . 20 1 1 A 18 18 GLU H H 18 7.897 8.049 -0.152 1
1 175 . 20 1 1 A 18 18 GLU HA H 18 3.837 4.011 -0.174 1
1 180 . 20 1 1 A 18 18 GLU CA C 18 57.506 58.996 -1.490 1
1 181 . 20 1 1 A 18 18 GLU CB C 18 29.421 29.106 0.315 1
1 183 . 20 1 1 A 18 18 GLU N N 18 118.162 119.333 -1.171 1
1 184 . 20 1 1 A 19 19 SER H H 19 7.461 7.795 -0.334 1
1 185 . 20 1 1 A 19 19 SER HA H 19 4.150 4.142 0.008 1
1 188 . 20 1 1 A 19 19 SER CA C 19 60.000 62.102 -2.102 1
1 189 . 20 1 1 A 19 19 SER CB C 19 63.329 63.288 0.041 1
1 190 . 20 1 1 A 19 19 SER N N 19 112.802 116.709 -3.907 1
1 191 . 20 1 1 A 20 20 ASN H H 20 6.638 7.629 -0.991 1
1 192 . 20 1 1 A 20 20 ASN HA H 20 4.226 4.434 -0.208 1
1 195 . 20 1 1 A 20 20 ASN CA C 20 53.211 55.251 -2.040 1
1 196 . 20 1 1 A 20 20 ASN CB C 20 37.021 37.099 -0.078 1
1 197 . 20 1 1 A 20 20 ASN N N 20 121.098 117.221 3.877 1
1 198 . 20 1 1 A 21 21 LYS H H 21 8.010 8.481 -0.471 1
1 199 . 20 1 1 A 21 21 LYS HA H 21 4.077 4.432 -0.355 1
1 208 . 20 1 1 A 21 21 LYS CA C 21 56.558 57.679 -1.121 1
1 209 . 20 1 1 A 21 21 LYS CB C 21 32.435 33.757 -1.322 1
1 213 . 20 1 1 A 21 21 LYS N N 21 122.666 121.995 0.671 1
1 214 . 20 1 1 A 22 22 ARG H H 22 8.007 8.058 -0.051 1
1 215 . 20 1 1 A 22 22 ARG HA H 22 4.257 4.117 0.140 1
1 222 . 20 1 1 A 22 22 ARG CA C 22 56.480 53.461 3.019 1
1 223 . 20 1 1 A 22 22 ARG CB C 22 30.000 32.474 -2.474 1
1 226 . 20 1 1 A 22 22 ARG N N 22 117.459 119.061 -1.602 1
1 227 . 20 1 1 A 23 23 TRP H H 23 7.211 8.245 -1.034 1
1 228 . 20 1 1 A 23 23 TRP HA H 23 4.938 4.814 0.124 1
1 237 . 20 1 1 A 23 23 TRP CA C 23 55.206 57.292 -2.086 1
1 238 . 20 1 1 A 23 23 TRP CB C 23 30.772 29.707 1.065 1
1 244 . 20 1 1 A 23 23 TRP N N 23 118.844 123.052 -4.208 1
1 246 . 20 1 1 A 24 24 SER H H 24 8.764 8.818 -0.054 1
1 247 . 20 1 1 A 24 24 SER HA H 24 4.520 4.906 -0.386 1
1 250 . 20 1 1 A 24 24 SER CA C 24 57.647 57.217 0.430 1
1 251 . 20 1 1 A 24 24 SER CB C 24 64.419 64.159 0.260 1
1 252 . 20 1 1 A 24 24 SER N N 24 117.454 122.254 -4.800 1
1 253 . 20 1 1 A 25 25 GLU H H 25 8.976 8.098 0.878 1
1 254 . 20 1 1 A 25 25 GLU HA H 25 4.076 3.923 0.153 1
1 259 . 20 1 1 A 25 25 GLU CA C 25 59.360 59.804 -0.444 1
1 260 . 20 1 1 A 25 25 GLU CB C 25 28.960 29.690 -0.730 1
1 262 . 20 1 1 A 25 25 GLU N N 25 122.323 123.074 -0.751 1
1 263 . 20 1 1 A 26 26 ASP H H 26 8.608 8.237 0.371 1
1 264 . 20 1 1 A 26 26 ASP HA H 26 4.400 4.480 -0.080 1
1 267 . 20 1 1 A 26 26 ASP CA C 26 56.327 57.038 -0.711 1
1 268 . 20 1 1 A 26 26 ASP CB C 26 40.700 40.657 0.043 1
1 269 . 20 1 1 A 26 26 ASP N N 26 118.165 119.690 -1.525 1
1 270 . 20 1 1 A 27 27 HIS H H 27 7.891 7.945 -0.054 1
1 271 . 20 1 1 A 27 27 HIS HA H 27 4.247 4.240 0.007 1
1 275 . 20 1 1 A 27 27 HIS CA C 27 58.271 58.723 -0.452 1
1 276 . 20 1 1 A 27 27 HIS CB C 27 30.483 30.161 0.322 1
1 278 . 20 1 1 A 27 27 HIS N N 27 120.183 120.739 -0.556 1
1 279 . 20 1 1 A 28 28 ARG H H 28 8.676 8.119 0.557 1
1 280 . 20 1 1 A 28 28 ARG HA H 28 3.720 4.019 -0.299 1
1 287 . 20 1 1 A 28 28 ARG CA C 28 59.444 59.923 -0.479 1
1 288 . 20 1 1 A 28 28 ARG CB C 28 30.315 30.171 0.144 1
1 291 . 20 1 1 A 28 28 ARG N N 28 118.156 118.412 -0.256 1
1 292 . 20 1 1 A 29 29 SER H H 29 8.359 7.872 0.487 1
1 293 . 20 1 1 A 29 29 SER HA H 29 4.295 4.146 0.149 1
1 296 . 20 1 1 A 29 29 SER CA C 29 60.916 61.544 -0.628 1
1 297 . 20 1 1 A 29 29 SER CB C 29 62.629 62.783 -0.154 1
1 298 . 20 1 1 A 29 29 SER N N 29 115.374 115.253 0.121 1
1 299 . 20 1 1 A 30 30 ARG H H 30 7.860 7.607 0.253 1
1 300 . 20 1 1 A 30 30 ARG HA H 30 3.850 4.106 -0.256 1
1 307 . 20 1 1 A 30 30 ARG CA C 30 59.162 58.371 0.791 1
1 308 . 20 1 1 A 30 30 ARG CB C 30 30.171 29.416 0.755 1
1 311 . 20 1 1 A 30 30 ARG N N 30 124.066 121.625 2.441 1
1 312 . 20 1 1 A 31 31 VAL H H 31 7.928 7.523 0.405 1
1 313 . 20 1 1 A 31 31 VAL HA H 31 4.728 3.711 1.017 1
1 321 . 20 1 1 A 31 31 VAL CA C 31 66.054 66.387 -0.333 1
1 322 . 20 1 1 A 31 31 VAL CB C 31 31.961 31.607 0.354 1
1 325 . 20 1 1 A 31 31 VAL N N 31 116.760 119.885 -3.125 1
1 326 . 20 1 1 A 32 32 LEU H H 32 7.314 8.390 -1.076 1
1 327 . 20 1 1 A 32 32 LEU HA H 32 3.867 4.033 -0.166 1
1 337 . 20 1 1 A 32 32 LEU CA C 32 57.406 58.642 -1.236 1
1 338 . 20 1 1 A 32 32 LEU CB C 32 40.912 41.682 -0.770 1
1 342 . 20 1 1 A 32 32 LEU N N 32 117.541 120.261 -2.720 1
1 343 . 20 1 1 A 33 33 ARG H H 33 7.914 8.186 -0.272 1
1 344 . 20 1 1 A 33 33 ARG HA H 33 4.070 3.991 0.079 1
1 351 . 20 1 1 A 33 33 ARG CA C 33 58.815 59.872 -1.057 1
1 352 . 20 1 1 A 33 33 ARG CB C 33 29.393 29.762 -0.369 1
1 355 . 20 1 1 A 33 33 ARG N N 33 118.510 119.523 -1.013 1
1 356 . 20 1 1 A 34 34 TYR H H 34 8.211 8.475 -0.264 1
1 357 . 20 1 1 A 34 34 TYR HA H 34 4.533 4.193 0.340 1
1 364 . 20 1 1 A 34 34 TYR CA C 34 59.593 61.598 -2.005 1
1 365 . 20 1 1 A 34 34 TYR CB C 34 37.021 38.585 -1.564 1
1 368 . 20 1 1 A 34 34 TYR N N 34 116.416 121.836 -5.420 1
1 369 . 20 1 1 A 35 35 LEU H H 35 7.904 8.563 -0.659 1
1 370 . 20 1 1 A 35 35 LEU HA H 35 3.670 3.872 -0.202 1
1 380 . 20 1 1 A 35 35 LEU CA C 35 57.967 58.113 -0.146 1
1 381 . 20 1 1 A 35 35 LEU CB C 35 40.740 41.359 -0.619 1
1 385 . 20 1 1 A 35 35 LEU N N 35 118.885 121.427 -2.542 1
1 386 . 20 1 1 A 36 36 GLU H H 36 8.662 8.346 0.316 1
1 387 . 20 1 1 A 36 36 GLU HA H 36 3.993 4.452 -0.459 1
1 392 . 20 1 1 A 36 36 GLU CA C 36 59.749 59.338 0.411 1
1 393 . 20 1 1 A 36 36 GLU CB C 36 29.887 29.684 0.203 1
1 395 . 20 1 1 A 36 36 GLU N N 36 120.936 118.613 2.323 1
1 396 . 20 1 1 A 37 37 LEU H H 37 8.195 8.288 -0.093 1
1 397 . 20 1 1 A 37 37 LEU HA H 37 3.979 4.099 -0.120 1
1 407 . 20 1 1 A 37 37 LEU CA C 37 56.947 57.855 -0.908 1
1 408 . 20 1 1 A 37 37 LEU CB C 37 42.936 41.979 0.957 1
1 412 . 20 1 1 A 37 37 LEU N N 37 116.413 120.126 -3.713 1
1 413 . 20 1 1 A 38 38 TYR H H 38 7.663 8.099 -0.436 1
1 414 . 20 1 1 A 38 38 TYR HA H 38 4.951 4.174 0.777 1
1 421 . 20 1 1 A 38 38 TYR CA C 38 58.581 60.668 -2.087 1
1 422 . 20 1 1 A 38 38 TYR CB C 38 41.068 38.675 2.393 1
1 425 . 20 1 1 A 38 38 TYR N N 38 110.509 118.974 -8.465 1
1 426 . 20 1 1 A 39 39 ILE H H 39 7.833 7.738 0.095 1
1 427 . 20 1 1 A 39 39 ILE HA H 39 4.642 3.668 0.974 1
1 437 . 20 1 1 A 39 39 ILE CA C 39 60.000 62.959 -2.959 1
1 438 . 20 1 1 A 39 39 ILE CB C 39 37.111 38.533 -1.422 1
1 442 . 20 1 1 A 39 39 ILE N N 39 116.068 118.262 -2.194 1
1 443 . 20 1 1 A 40 40 PHE H H 40 9.117 7.483 1.634 1
1 444 . 20 1 1 A 40 40 PHE HA H 40 4.634 5.062 -0.428 1
1 452 . 20 1 1 A 40 40 PHE CA C 40 57.492 54.968 2.524 1
1 453 . 20 1 1 A 40 40 PHE CB C 40 34.374 38.168 -3.794 1
1 457 . 20 1 1 A 40 40 PHE N N 40 121.241 119.330 1.911 1
1 458 . 20 1 1 A 41 41 PRO HA H 41 4.388 4.539 -0.151 1
1 465 . 20 1 1 A 41 41 PRO CA C 41 66.132 66.002 0.130 1
1 466 . 20 1 1 A 41 41 PRO CB C 41 31.261 31.277 -0.016 1
1 469 . 20 1 1 A 42 42 HIS H H 42 7.153 7.667 -0.514 1
1 470 . 20 1 1 A 42 42 HIS HA H 42 4.678 4.563 0.115 1
1 474 . 20 1 1 A 42 42 HIS CA C 42 57.336 58.010 -0.674 1
1 475 . 20 1 1 A 42 42 HIS CB C 42 32.895 31.028 1.867 1
1 477 . 20 1 1 A 42 42 HIS N N 42 111.205 116.262 -5.057 1
1 478 . 20 1 1 A 43 43 ILE H H 43 7.327 7.550 -0.223 1
1 479 . 20 1 1 A 43 43 ILE HA H 43 4.938 4.309 0.629 1
1 489 . 20 1 1 A 43 43 ILE CA C 43 60.527 60.266 0.261 1
1 490 . 20 1 1 A 43 43 ILE CB C 43 40.445 37.862 2.583 1
1 494 . 20 1 1 A 43 43 ILE N N 43 105.996 112.301 -6.305 1
1 495 . 20 1 1 A 44 44 GLY H H 44 8.958 8.313 0.645 1
1 496 . 20 1 1 A 44 44 GLY HA2 H 44 4.340 3.694 0.646 1
1 497 . 20 1 1 A 44 44 GLY HA3 H 44 3.855 3.878 -0.023 1
1 498 . 20 1 1 A 44 44 GLY CA C 44 48.385 45.831 2.554 1
1 499 . 20 1 1 A 44 44 GLY N N 44 110.704 112.716 -2.012 1
1 500 . 20 1 1 A 45 45 SER H H 45 8.294 7.898 0.396 1
1 501 . 20 1 1 A 45 45 SER HA H 45 4.517 4.247 0.270 1
1 504 . 20 1 1 A 45 45 SER CA C 45 58.270 59.446 -1.176 1
1 505 . 20 1 1 A 45 45 SER CB C 45 63.563 63.473 0.090 1
1 506 . 20 1 1 A 45 45 SER N N 45 110.505 113.096 -2.591 1
1 507 . 20 1 1 A 46 46 SER H H 46 7.689 7.217 0.472 1
1 508 . 20 1 1 A 46 46 SER HA H 46 4.322 4.760 -0.438 1
1 511 . 20 1 1 A 46 46 SER CA C 46 59.282 58.469 0.813 1
1 512 . 20 1 1 A 46 46 SER CB C 46 63.719 63.990 -0.271 1
1 513 . 20 1 1 A 46 46 SER N N 46 119.190 118.656 0.534 1
1 514 . 20 1 1 A 47 47 ASP H H 47 8.646 8.484 0.162 1
1 515 . 20 1 1 A 47 47 ASP HA H 47 4.446 4.872 -0.426 1
1 518 . 20 1 1 A 47 47 ASP CA C 47 54.145 52.787 1.358 1
1 519 . 20 1 1 A 47 47 ASP CB C 47 41.652 42.948 -1.296 1
1 520 . 20 1 1 A 47 47 ASP N N 47 124.868 125.202 -0.334 1
1 521 . 20 1 1 A 48 48 ILE H H 48 9.406 8.993 0.413 1
1 522 . 20 1 1 A 48 48 ILE HA H 48 4.091 4.185 -0.094 1
1 532 . 20 1 1 A 48 48 ILE CA C 48 63.844 63.549 0.295 1
1 533 . 20 1 1 A 48 48 ILE CB C 48 39.845 38.130 1.715 1
1 537 . 20 1 1 A 48 48 ILE N N 48 129.573 125.734 3.839 1
1 538 . 20 1 1 A 49 49 ARG H H 49 9.004 7.740 1.264 1
1 539 . 20 1 1 A 49 49 ARG HA H 49 4.166 4.205 -0.039 1
1 546 . 20 1 1 A 49 49 ARG CA C 49 57.534 58.630 -1.096 1
1 547 . 20 1 1 A 49 49 ARG CB C 49 29.870 30.443 -0.573 1
1 548 . 20 1 1 A 49 49 ARG N N 49 119.541 121.616 -2.075 1
1 549 . 20 1 1 A 50 50 GLN H H 50 7.868 7.654 0.214 1
1 550 . 20 1 1 A 50 50 GLN HA H 50 4.498 4.633 -0.135 1
1 557 . 20 1 1 A 50 50 GLN CA C 50 54.633 54.663 -0.030 1
1 558 . 20 1 1 A 50 50 GLN CB C 50 29.548 28.744 0.804 1
1 560 . 20 1 1 A 50 50 GLN N N 50 114.374 118.133 -3.759 1
1 562 . 20 1 1 A 51 51 LEU H H 51 6.799 8.889 -2.090 1
1 563 . 20 1 1 A 51 51 LEU HA H 51 4.516 5.037 -0.521 1
1 573 . 20 1 1 A 51 51 LEU CA C 51 54.519 54.022 0.497 1
1 574 . 20 1 1 A 51 51 LEU CB C 51 43.014 44.617 -1.603 1
1 578 . 20 1 1 A 51 51 LEU N N 51 119.548 127.615 -8.067 1
1 579 . 20 1 1 A 52 52 LYS H H 52 10.373 8.510 1.863 1
1 580 . 20 1 1 A 52 52 LYS HA H 52 4.725 4.647 0.078 1
1 589 . 20 1 1 A 52 52 LYS CA C 52 53.806 55.258 -1.452 1
1 590 . 20 1 1 A 52 52 LYS CB C 52 34.394 34.310 0.084 1
1 594 . 20 1 1 A 52 52 LYS N N 52 125.943 124.714 1.229 1
1 595 . 20 1 1 A 53 53 THR H H 53 8.724 8.680 0.044 1
1 596 . 20 1 1 A 53 53 THR HA H 53 4.727 4.757 -0.030 1
1 601 . 20 1 1 A 53 53 THR CA C 53 57.570 61.191 -3.621 1
1 602 . 20 1 1 A 53 53 THR CB C 53 68.467 70.066 -1.599 1
1 604 . 20 1 1 A 53 53 THR N N 53 117.533 114.852 2.681 1
1 605 . 20 1 1 A 54 54 SER H H 54 8.416 8.932 -0.516 1
1 606 . 20 1 1 A 54 54 SER HA H 54 4.743 4.221 0.522 1
1 609 . 20 1 1 A 54 54 SER CA C 54 61.306 61.355 -0.049 1
1 610 . 20 1 1 A 54 54 SER CB C 54 61.132 62.660 -1.528 1
1 611 . 20 1 1 A 54 54 SER N N 54 112.941 117.466 -4.525 1
1 612 . 20 1 1 A 55 55 HIS H H 55 7.077 7.855 -0.778 1
1 613 . 20 1 1 A 55 55 HIS HA H 55 4.425 4.340 0.085 1
1 617 . 20 1 1 A 55 55 HIS CA C 55 58.659 59.132 -0.473 1
1 618 . 20 1 1 A 55 55 HIS CB C 55 33.051 30.007 3.044 1
1 620 . 20 1 1 A 55 55 HIS N N 55 120.680 118.191 2.489 1
1 621 . 20 1 1 A 56 56 LEU H H 56 7.410 8.505 -1.095 1
1 622 . 20 1 1 A 56 56 LEU HA H 56 3.916 4.041 -0.125 1
1 632 . 20 1 1 A 56 56 LEU CA C 56 56.558 57.522 -0.964 1
1 633 . 20 1 1 A 56 56 LEU CB C 56 42.547 41.253 1.294 1
1 637 . 20 1 1 A 56 56 LEU N N 56 115.029 121.214 -6.185 1
1 638 . 20 1 1 A 57 57 LEU H H 57 7.906 7.611 0.295 1
1 639 . 20 1 1 A 57 57 LEU HA H 57 4.073 4.100 -0.027 1
1 649 . 20 1 1 A 57 57 LEU CA C 57 56.047 57.163 -1.116 1
1 650 . 20 1 1 A 57 57 LEU CB C 57 42.575 41.282 1.293 1
1 654 . 20 1 1 A 57 57 LEU N N 57 113.214 119.640 -6.426 1
1 655 . 20 1 1 A 58 58 ALA H H 58 7.367 7.931 -0.564 1
1 656 . 20 1 1 A 58 58 ALA HA H 58 4.176 3.945 0.231 1
1 660 . 20 1 1 A 58 58 ALA CA C 58 57.049 57.335 -0.286 1
1 661 . 20 1 1 A 58 58 ALA CB C 58 15.362 16.652 -1.290 1
1 662 . 20 1 1 A 58 58 ALA N N 58 120.662 121.980 -1.318 1
1 663 . 20 1 1 A 59 59 PRO HA H 59 4.133 4.253 -0.120 1
1 670 . 20 1 1 A 59 59 PRO CA C 59 65.120 65.752 -0.632 1
1 671 . 20 1 1 A 59 59 PRO CB C 59 31.183 30.708 0.475 1
1 674 . 20 1 1 A 60 60 ILE H H 60 6.643 7.497 -0.854 1
1 675 . 20 1 1 A 60 60 ILE HA H 60 3.383 3.803 -0.420 1
1 685 . 20 1 1 A 60 60 ILE CA C 60 64.886 63.657 1.229 1
1 686 . 20 1 1 A 60 60 ILE CB C 60 37.799 36.817 0.982 1
1 690 . 20 1 1 A 60 60 ILE N N 60 117.809 116.321 1.488 1
1 691 . 20 1 1 A 61 61 LYS H H 61 8.635 8.185 0.450 1
1 692 . 20 1 1 A 61 61 LYS HA H 61 3.992 4.078 -0.086 1
1 701 . 20 1 1 A 61 61 LYS CA C 61 59.048 58.668 0.380 1
1 702 . 20 1 1 A 61 61 LYS CB C 61 31.678 31.663 0.015 1
1 706 . 20 1 1 A 61 61 LYS N N 61 120.585 121.049 -0.464 1
1 707 . 20 1 1 A 62 62 GLU H H 62 7.664 7.820 -0.156 1
1 708 . 20 1 1 A 62 62 GLU HA H 62 3.992 4.068 -0.076 1
1 713 . 20 1 1 A 62 62 GLU CA C 62 59.593 59.211 0.382 1
1 714 . 20 1 1 A 62 62 GLU CB C 62 28.975 29.402 -0.427 1
1 716 . 20 1 1 A 62 62 GLU N N 62 118.505 119.767 -1.262 1
1 717 . 20 1 1 A 63 63 VAL H H 63 7.227 7.684 -0.457 1
1 718 . 20 1 1 A 63 63 VAL HA H 63 3.545 3.917 -0.372 1
1 726 . 20 1 1 A 63 63 VAL CA C 63 65.663 64.422 1.241 1
1 727 . 20 1 1 A 63 63 VAL CB C 63 31.650 31.562 0.088 1
1 730 . 20 1 1 A 63 63 VAL N N 63 119.540 119.316 0.224 1
1 731 . 20 1 1 A 64 64 ASP H H 64 8.281 8.096 0.185 1
1 732 . 20 1 1 A 64 64 ASP HA H 64 3.984 4.387 -0.403 1
1 735 . 20 1 1 A 64 64 ASP CA C 64 58.860 57.519 1.341 1
1 736 . 20 1 1 A 64 64 ASP CB C 64 42.561 41.336 1.225 1
1 737 . 20 1 1 A 64 64 ASP N N 64 122.316 122.008 0.308 1
1 738 . 20 1 1 A 65 65 THR H H 65 8.818 7.969 0.849 1
1 739 . 20 1 1 A 65 65 THR HA H 65 4.310 3.991 0.319 1
1 744 . 20 1 1 A 65 65 THR CA C 65 68.825 66.079 2.746 1
1 745 . 20 1 1 A 65 65 THR CB C 65 65.195 68.310 -3.115 1
1 747 . 20 1 1 A 65 65 THR N N 65 112.808 116.165 -3.357 1
1 748 . 20 1 1 A 66 66 SER H H 66 7.596 7.898 -0.302 1
1 749 . 20 1 1 A 66 66 SER HA H 66 4.469 4.299 0.170 1
1 752 . 20 1 1 A 66 66 SER CA C 66 59.827 61.437 -1.610 1
1 753 . 20 1 1 A 66 66 SER CB C 66 63.641 63.330 0.311 1
1 754 . 20 1 1 A 66 66 SER N N 66 116.412 116.573 -0.161 1
1 755 . 20 1 1 A 67 67 GLY H H 67 7.781 7.765 0.016 1
1 756 . 20 1 1 A 67 67 GLY HA2 H 67 4.467 4.075 0.392 1
1 757 . 20 1 1 A 67 67 GLY HA3 H 67 3.355 4.081 -0.726 1
1 758 . 20 1 1 A 67 67 GLY CA C 67 44.337 45.503 -1.166 1
1 759 . 20 1 1 A 67 67 GLY N N 67 108.565 108.093 0.472 1
1 760 . 20 1 1 A 68 68 LYS H H 68 6.932 7.567 -0.635 1
1 761 . 20 1 1 A 68 68 LYS HA H 68 4.706 4.573 0.133 1
1 770 . 20 1 1 A 68 68 LYS CA C 68 54.145 54.404 -0.259 1
1 771 . 20 1 1 A 68 68 LYS CB C 68 30.325 30.239 0.086 1
1 775 . 20 1 1 A 68 68 LYS N N 68 121.979 121.093 0.886 1
1 776 . 20 1 1 A 69 69 HIS H H 69 7.630 7.901 -0.271 1
1 777 . 20 1 1 A 69 69 HIS HA H 69 4.544 4.385 0.159 1
1 780 . 20 1 1 A 69 69 HIS CA C 69 58.270 58.828 -0.558 1
1 781 . 20 1 1 A 69 69 HIS CB C 69 28.303 29.129 -0.826 1
1 782 . 20 1 1 A 69 69 HIS N N 69 119.617 120.264 -0.647 1
1 783 . 20 1 1 A 70 70 ASP H H 70 8.779 7.909 0.870 1
1 784 . 20 1 1 A 70 70 ASP HA H 70 4.330 3.847 0.483 1
1 787 . 20 1 1 A 70 70 ASP CA C 70 56.869 57.255 -0.386 1
1 788 . 20 1 1 A 70 70 ASP CB C 70 39.433 41.354 -1.921 1
1 789 . 20 1 1 A 70 70 ASP N N 70 118.586 121.138 -2.552 1
1 790 . 20 1 1 A 71 71 VAL H H 71 7.575 8.128 -0.553 1
1 791 . 20 1 1 A 71 71 VAL HA H 71 3.232 3.620 -0.388 1
1 799 . 20 1 1 A 71 71 VAL CA C 71 66.131 66.596 -0.465 1
1 800 . 20 1 1 A 71 71 VAL CB C 71 31.105 31.709 -0.604 1
1 803 . 20 1 1 A 71 71 VAL N N 71 121.186 118.952 2.234 1
1 804 . 20 1 1 A 72 72 ALA H H 72 8.022 8.236 -0.214 1
1 805 . 20 1 1 A 72 72 ALA HA H 72 3.682 3.903 -0.221 1
1 809 . 20 1 1 A 72 72 ALA CA C 72 55.702 55.841 -0.139 1
1 810 . 20 1 1 A 72 72 ALA CB C 72 18.028 18.357 -0.329 1
1 811 . 20 1 1 A 72 72 ALA N N 72 120.675 121.627 -0.952 1
1 812 . 20 1 1 A 73 73 GLN H H 73 7.793 8.125 -0.332 1
1 813 . 20 1 1 A 73 73 GLN HA H 73 3.971 3.970 0.001 1
1 820 . 20 1 1 A 73 73 GLN CA C 73 58.872 59.066 -0.194 1
1 821 . 20 1 1 A 73 73 GLN CB C 73 28.073 28.479 -0.406 1
1 823 . 20 1 1 A 73 73 GLN N N 73 115.949 117.497 -1.548 1
1 825 . 20 1 1 A 74 74 ARG H H 74 7.795 7.886 -0.091 1
1 826 . 20 1 1 A 74 74 ARG HA H 74 4.108 4.064 0.044 1
1 833 . 20 1 1 A 74 74 ARG CA C 74 59.282 59.088 0.194 1
1 834 . 20 1 1 A 74 74 ARG CB C 74 29.857 30.050 -0.193 1
1 837 . 20 1 1 A 74 74 ARG N N 74 119.896 119.804 0.092 1
1 838 . 20 1 1 A 75 75 LEU H H 75 8.850 8.086 0.764 1
1 839 . 20 1 1 A 75 75 LEU HA H 75 3.935 3.948 -0.013 1
1 849 . 20 1 1 A 75 75 LEU CA C 75 57.803 57.903 -0.100 1
1 850 . 20 1 1 A 75 75 LEU CB C 75 42.858 41.312 1.546 1
1 854 . 20 1 1 A 75 75 LEU N N 75 118.044 120.436 -2.392 1
1 855 . 20 1 1 A 76 76 GLN H H 76 8.412 7.941 0.471 1
1 856 . 20 1 1 A 76 76 GLN HA H 76 3.790 3.930 -0.140 1
1 861 . 20 1 1 A 76 76 GLN CA C 76 60.294 59.264 1.030 1
1 862 . 20 1 1 A 76 76 GLN CB C 76 27.995 28.337 -0.342 1
1 864 . 20 1 1 A 76 76 GLN N N 76 119.109 117.790 1.319 1
1 865 . 20 1 1 A 77 77 GLN H H 77 7.788 7.783 0.005 1
1 866 . 20 1 1 A 77 77 GLN HA H 77 4.090 4.024 0.066 1
1 873 . 20 1 1 A 77 77 GLN CA C 77 59.318 58.983 0.335 1
1 874 . 20 1 1 A 77 77 GLN CB C 77 28.054 28.264 -0.210 1
1 876 . 20 1 1 A 77 77 GLN N N 77 119.616 119.590 0.026 1
1 878 . 20 1 1 A 78 78 ARG H H 78 8.552 7.531 1.021 1
1 879 . 20 1 1 A 78 78 ARG HA H 78 4.171 4.040 0.131 1
1 886 . 20 1 1 A 78 78 ARG CA C 78 57.946 58.220 -0.274 1
1 887 . 20 1 1 A 78 78 ARG CB C 78 28.958 30.027 -1.069 1
1 890 . 20 1 1 A 78 78 ARG N N 78 118.044 119.561 -1.517 1
1 891 . 20 1 1 A 79 79 VAL H H 79 8.958 7.967 0.991 1
1 892 . 20 1 1 A 79 79 VAL HA H 79 3.603 3.759 -0.156 1
1 900 . 20 1 1 A 79 79 VAL CA C 79 67.284 66.359 0.925 1
1 901 . 20 1 1 A 79 79 VAL CB C 79 31.228 31.822 -0.594 1
1 904 . 20 1 1 A 79 79 VAL N N 79 116.998 120.075 -3.077 1
1 905 . 20 1 1 A 80 80 THR H H 80 7.938 7.968 -0.030 1
1 906 . 20 1 1 A 80 80 THR HA H 80 4.301 3.997 0.304 1
1 911 . 20 1 1 A 80 80 THR CA C 80 67.976 65.356 2.620 1
1 912 . 20 1 1 A 80 80 THR CB C 80 67.466 68.940 -1.474 1
1 914 . 20 1 1 A 80 80 THR N N 80 115.701 113.973 1.728 1
1 915 . 20 1 1 A 81 81 ALA H H 81 7.656 7.606 0.050 1
1 916 . 20 1 1 A 81 81 ALA HA H 81 4.070 4.047 0.023 1
1 920 . 20 1 1 A 81 81 ALA CA C 81 55.232 54.958 0.274 1
1 921 . 20 1 1 A 81 81 ALA CB C 81 18.087 18.033 0.054 1
1 922 . 20 1 1 A 81 81 ALA N N 81 124.407 122.993 1.414 1
1 923 . 20 1 1 A 82 82 ILE H H 82 7.901 7.665 0.236 1
1 924 . 20 1 1 A 82 82 ILE HA H 82 2.733 3.771 -1.038 1
1 934 . 20 1 1 A 82 82 ILE CA C 82 65.450 64.809 0.641 1
1 935 . 20 1 1 A 82 82 ILE CB C 82 37.569 37.836 -0.267 1
1 939 . 20 1 1 A 82 82 ILE N N 82 121.196 118.881 2.315 1
1 940 . 20 1 1 A 83 83 MET H H 83 8.258 8.496 -0.238 1
1 941 . 20 1 1 A 83 83 MET HA H 83 4.556 4.223 0.333 1
1 949 . 20 1 1 A 83 83 MET CA C 83 56.403 58.667 -2.264 1
1 950 . 20 1 1 A 83 83 MET CB C 83 29.782 31.884 -2.102 1
1 953 . 20 1 1 A 83 83 MET N N 83 120.154 120.754 -0.600 1
1 954 . 20 1 1 A 84 84 ARG H H 84 7.915 8.471 -0.556 1
1 955 . 20 1 1 A 84 84 ARG HA H 84 4.039 4.133 -0.094 1
1 962 . 20 1 1 A 84 84 ARG CA C 84 59.749 58.697 1.052 1
1 963 . 20 1 1 A 84 84 ARG CB C 84 30.000 30.038 -0.038 1
1 966 . 20 1 1 A 84 84 ARG N N 84 116.534 117.741 -1.207 1
1 967 . 20 1 1 A 85 85 TYR H H 85 8.221 8.060 0.161 1
1 968 . 20 1 1 A 85 85 TYR HA H 85 4.255 4.280 -0.025 1
1 975 . 20 1 1 A 85 85 TYR CA C 85 61.382 60.785 0.597 1
1 976 . 20 1 1 A 85 85 TYR CB C 85 38.499 37.651 0.848 1
1 979 . 20 1 1 A 85 85 TYR N N 85 122.313 119.481 2.832 1
1 980 . 20 1 1 A 86 86 ALA H H 86 8.804 7.999 0.805 1
1 981 . 20 1 1 A 86 86 ALA HA H 86 4.223 4.336 -0.113 1
1 985 . 20 1 1 A 86 86 ALA CA C 86 55.043 55.295 -0.252 1
1 986 . 20 1 1 A 86 86 ALA CB C 86 18.087 18.386 -0.299 1
1 987 . 20 1 1 A 86 86 ALA N N 86 123.291 123.195 0.096 1
1 988 . 20 1 1 A 87 87 VAL H H 87 8.113 7.808 0.305 1
1 989 . 20 1 1 A 87 87 VAL HA H 87 4.170 3.651 0.519 1
1 997 . 20 1 1 A 87 87 VAL CA C 87 65.146 66.981 -1.835 1
1 998 . 20 1 1 A 87 87 VAL CB C 87 31.897 31.431 0.466 1
1 1001 . 20 1 1 A 87 87 VAL N N 87 120.144 118.043 2.101 1
1 1002 . 20 1 1 A 88 88 GLN H H 88 8.458 7.850 0.608 1
1 1003 . 20 1 1 A 88 88 GLN HA H 88 3.983 3.936 0.047 1
1 1010 . 20 1 1 A 88 88 GLN CA C 88 58.270 59.018 -0.748 1
1 1011 . 20 1 1 A 88 88 GLN CB C 88 28.075 28.326 -0.251 1
1 1013 . 20 1 1 A 88 88 GLN N N 88 120.751 119.357 1.394 1
1 1015 . 20 1 1 A 89 89 ASN H H 89 7.359 7.851 -0.492 1
1 1016 . 20 1 1 A 89 89 ASN HA H 89 4.486 4.685 -0.199 1
1 1021 . 20 1 1 A 89 89 ASN CA C 89 53.444 52.708 0.736 1
1 1022 . 20 1 1 A 89 89 ASN CB C 89 38.932 38.198 0.734 1
1 1023 . 20 1 1 A 89 89 ASN N N 89 113.850 114.369 -0.519 1
1 1025 . 20 1 1 A 90 90 ASP H H 90 7.849 7.761 0.088 1
1 1026 . 20 1 1 A 90 90 ASP HA H 90 4.387 4.276 0.111 1
1 1029 . 20 1 1 A 90 90 ASP CA C 90 55.935 55.160 0.775 1
1 1030 . 20 1 1 A 90 90 ASP CB C 90 38.811 40.099 -1.288 1
1 1031 . 20 1 1 A 90 90 ASP N N 90 113.293 117.974 -4.681 1
1 1032 . 20 1 1 A 91 91 TYR H H 91 8.489 8.311 0.178 1
1 1033 . 20 1 1 A 91 91 TYR HA H 91 4.589 4.393 0.196 1
1 1040 . 20 1 1 A 91 91 TYR CA C 91 60.000 60.225 -0.225 1
1 1041 . 20 1 1 A 91 91 TYR CB C 91 38.811 39.204 -0.393 1
1 1044 . 20 1 1 A 91 91 TYR N N 91 116.072 117.542 -1.470 1
1 1045 . 20 1 1 A 92 92 ILE H H 92 7.131 7.580 -0.449 1
1 1046 . 20 1 1 A 92 92 ILE HA H 92 4.684 4.753 -0.069 1
1 1056 . 20 1 1 A 92 92 ILE CA C 92 59.126 58.765 0.361 1
1 1057 . 20 1 1 A 92 92 ILE CB C 92 41.846 41.397 0.449 1
1 1061 . 20 1 1 A 92 92 ILE N N 92 107.409 115.841 -8.432 1
1 1062 . 20 1 1 A 93 93 ASP H H 93 8.731 8.851 -0.120 1
1 1063 . 20 1 1 A 93 93 ASP HA H 93 4.707 4.751 -0.044 1
1 1066 . 20 1 1 A 93 93 ASP CA C 93 54.689 54.665 0.024 1
1 1067 . 20 1 1 A 93 93 ASP CB C 93 41.924 42.951 -1.027 1
1 1068 . 20 1 1 A 93 93 ASP N N 93 118.847 122.084 -3.237 1
1 1069 . 20 1 1 A 94 94 SER H H 94 7.638 7.995 -0.357 1
1 1070 . 20 1 1 A 94 94 SER HA H 94 4.491 4.804 -0.313 1
1 1073 . 20 1 1 A 94 94 SER CA C 94 57.102 58.998 -1.896 1
1 1074 . 20 1 1 A 94 94 SER CB C 94 64.186 64.478 -0.292 1
1 1075 . 20 1 1 A 94 94 SER N N 94 112.240 115.544 -3.304 1
1 1076 . 20 1 1 A 95 95 ASN H H 95 8.801 8.734 0.067 1
1 1077 . 20 1 1 A 95 95 ASN HA H 95 4.942 5.513 -0.571 1
1 1082 . 20 1 1 A 95 95 ASN CA C 95 49.941 50.438 -0.497 1
1 1083 . 20 1 1 A 95 95 ASN CB C 95 39.356 39.580 -0.224 1
1 1084 . 20 1 1 A 95 95 ASN N N 95 119.551 123.779 -4.228 1
1 1086 . 20 1 1 A 96 96 PRO HA H 96 4.632 4.509 0.123 1
1 1093 . 20 1 1 A 96 96 PRO CA C 96 63.564 64.658 -1.094 1
1 1094 . 20 1 1 A 96 96 PRO CB C 96 32.058 32.078 -0.020 1
1 1097 . 20 1 1 A 97 97 ALA H H 97 8.335 8.239 0.096 1
1 1098 . 20 1 1 A 97 97 ALA HA H 97 4.436 4.318 0.118 1
1 1102 . 20 1 1 A 97 97 ALA CA C 97 52.055 53.545 -1.490 1
1 1103 . 20 1 1 A 97 97 ALA CB C 97 18.998 18.543 0.455 1
1 1104 . 20 1 1 A 97 97 ALA N N 97 121.226 120.141 1.085 1
1 1105 . 20 1 1 A 98 98 SER H H 98 7.600 8.057 -0.457 1
1 1106 . 20 1 1 A 98 98 SER HA H 98 4.168 4.386 -0.218 1
1 1109 . 20 1 1 A 98 98 SER CA C 98 60.372 60.533 -0.161 1
1 1110 . 20 1 1 A 98 98 SER CB C 98 63.018 63.236 -0.218 1
1 1111 . 20 1 1 A 98 98 SER N N 98 114.935 114.066 0.869 1
1 1112 . 20 1 1 A 99 99 ASP H H 99 8.098 7.439 0.659 1
1 1113 . 20 1 1 A 99 99 ASP HA H 99 4.760 4.643 0.117 1
1 1116 . 20 1 1 A 99 99 ASP CA C 99 54.300 53.943 0.357 1
1 1117 . 20 1 1 A 99 99 ASP CB C 99 40.835 40.894 -0.059 1
1 1118 . 20 1 1 A 99 99 ASP N N 99 119.889 120.741 -0.852 1
1 1119 . 20 1 1 A 100 100 MET H H 100 7.885 7.941 -0.056 1
1 1120 . 20 1 1 A 100 100 MET HA H 100 4.205 4.099 0.106 1
1 1128 . 20 1 1 A 100 100 MET CA C 100 57.025 59.275 -2.250 1
1 1129 . 20 1 1 A 100 100 MET CB C 100 33.038 32.452 0.586 1
1 1132 . 20 1 1 A 100 100 MET N N 100 119.185 118.337 0.848 1
1 1133 . 20 1 1 A 101 101 ALA H H 101 8.041 7.915 0.126 1
1 1134 . 20 1 1 A 101 101 ALA HA H 101 4.137 4.422 -0.285 1
1 1138 . 20 1 1 A 101 101 ALA CA C 101 53.655 52.249 1.406 1
1 1139 . 20 1 1 A 101 101 ALA CB C 101 18.537 18.508 0.029 1
1 1140 . 20 1 1 A 101 101 ALA N N 101 122.264 121.573 0.691 1
1 1141 . 20 1 1 A 102 102 GLY H H 102 8.293 8.203 0.090 1
1 1142 . 20 1 1 A 102 102 GLY HA2 H 102 3.910 3.830 0.080 1
1 1143 . 20 1 1 A 102 102 GLY HA3 H 102 3.913 3.832 0.081 1
1 1144 . 20 1 1 A 102 102 GLY CA C 102 45.664 47.202 -1.538 1
1 1145 . 20 1 1 A 102 102 GLY N N 102 107.557 107.163 0.394 1
1 1146 . 20 1 1 A 103 103 ALA H H 103 7.955 7.653 0.302 1
1 1147 . 20 1 1 A 103 103 ALA HA H 103 4.235 4.615 -0.380 1
1 1151 . 20 1 1 A 103 103 ALA CA C 103 53.423 51.536 1.887 1
1 1152 . 20 1 1 A 103 103 ALA CB C 103 19.219 20.905 -1.686 1
1 1153 . 20 1 1 A 103 103 ALA N N 103 123.285 119.324 3.961 1
1 1154 . 20 1 1 A 104 104 LEU H H 104 8.145 8.684 -0.539 1
1 1155 . 20 1 1 A 104 104 LEU HA H 104 4.301 4.664 -0.363 1
1 1165 . 20 1 1 A 104 104 LEU CA C 104 55.312 54.876 0.436 1
1 1166 . 20 1 1 A 104 104 LEU CB C 104 41.644 42.878 -1.234 1
1 1170 . 20 1 1 A 104 104 LEU N N 104 118.570 119.883 -1.313 1
1 1171 . 20 1 1 A 105 105 SER H H 105 8.040 7.832 0.208 1
1 1172 . 20 1 1 A 105 105 SER HA H 105 4.390 4.606 -0.216 1
1 1175 . 20 1 1 A 105 105 SER CA C 105 58.893 58.190 0.703 1
1 1176 . 20 1 1 A 105 105 SER CB C 105 63.424 63.962 -0.538 1
1 1177 . 20 1 1 A 105 105 SER N N 105 115.022 113.745 1.277 1
1 1178 . 20 1 1 A 106 106 THR H H 106 8.032 7.520 0.512 1
1 1179 . 20 1 1 A 106 106 THR HA H 106 4.293 4.355 -0.062 1
1 1184 . 20 1 1 A 106 106 THR CA C 106 62.037 61.069 0.968 1
1 1185 . 20 1 1 A 106 106 THR CB C 106 69.401 68.692 0.709 1
1 1187 . 20 1 1 A 106 106 THR N N 106 115.371 113.255 2.116 1
1 1188 . 20 1 1 A 107 107 THR H H 107 7.940 8.189 -0.249 1
1 1189 . 20 1 1 A 107 107 THR HA H 107 4.296 4.810 -0.514 1
1 1194 . 20 1 1 A 107 107 THR CA C 107 61.539 60.089 1.450 1
1 1195 . 20 1 1 A 107 107 THR CB C 107 61.610 70.758 -9.148 1
1 1197 . 20 1 1 A 107 107 THR N N 107 122.759 117.591 5.168 1
1 1198 . 20 1 1 A 108 108 LYS H H 108 8.240 8.696 -0.456 1
1 1199 . 20 1 1 A 108 108 LYS HA H 108 4.241 4.313 -0.072 1
1 1208 . 20 1 1 A 108 108 LYS CA C 108 56.324 58.084 -1.760 1
1 1209 . 20 1 1 A 108 108 LYS CB C 108 32.817 31.446 1.371 1
1 1213 . 20 1 1 A 108 108 LYS N N 108 124.773 119.350 5.423 1
1 1214 . 20 1 1 A 109 109 ALA H H 109 8.131 8.746 -0.615 1
1 1215 . 20 1 1 A 109 109 ALA HA H 109 4.224 4.388 -0.164 1
1 1219 . 20 1 1 A 109 109 ALA CA C 109 52.432 52.993 -0.561 1
1 1220 . 20 1 1 A 109 109 ALA CB C 109 19.017 21.343 -2.326 1
1 1221 . 20 1 1 A 109 109 ALA N N 109 124.331 124.000 0.331 1
1 1222 . 20 1 1 A 110 110 ARG H H 110 8.114 7.738 0.376 1
1 1223 . 20 1 1 A 110 110 ARG HA H 110 4.191 4.901 -0.710 1
1 1230 . 20 1 1 A 110 110 ARG CA C 110 56.013 54.248 1.765 1
1 1231 . 20 1 1 A 110 110 ARG CB C 110 30.871 33.177 -2.306 1
1 1234 . 20 1 1 A 110 110 ARG N N 110 119.544 116.034 3.510 1
1 1235 . 20 1 1 A 111 111 HIS H H 111 8.283 8.674 -0.391 1
1 1236 . 20 1 1 A 111 111 HIS HA H 111 4.604 5.026 -0.422 1
1 1240 . 20 1 1 A 111 111 HIS CA C 111 55.448 54.972 0.476 1
1 1241 . 20 1 1 A 111 111 HIS CB C 111 29.866 33.882 -4.016 1
1 1243 . 20 1 1 A 111 111 HIS N N 111 119.886 116.466 3.420 1
1 1244 . 20 1 1 A 112 112 TYR H H 112 8.179 8.673 -0.494 1
1 1245 . 20 1 1 A 112 112 TYR HA H 112 4.766 4.786 -0.020 1
1 1252 . 20 1 1 A 112 112 TYR CA C 112 55.701 56.936 -1.235 1
1 1253 . 20 1 1 A 112 112 TYR CB C 112 38.110 38.233 -0.123 1
1 1256 . 20 1 1 A 112 112 TYR N N 112 122.673 118.787 3.886 1
1 1257 . 20 1 1 A 113 113 PRO HA H 113 4.399 4.557 -0.158 1
1 1264 . 20 1 1 A 113 113 PRO CA C 113 63.097 63.301 -0.204 1
1 1265 . 20 1 1 A 113 113 PRO CB C 113 31.684 32.778 -1.094 1
1 1268 . 20 1 1 A 114 114 LEU H H 114 8.225 8.483 -0.258 1
1 1269 . 20 1 1 A 114 114 LEU HA H 114 4.265 4.054 0.211 1
1 1279 . 20 1 1 A 114 114 LEU CA C 114 55.069 57.169 -2.100 1
1 1280 . 20 1 1 A 114 114 LEU CB C 114 42.104 41.768 0.336 1
1 1284 . 20 1 1 A 114 114 LEU N N 114 121.625 121.793 -0.168 1
1 1285 . 20 1 1 A 115 115 GLU H H 115 8.273 7.939 0.334 1
1 1286 . 20 1 1 A 115 115 GLU HA H 115 4.202 4.755 -0.553 1
1 1291 . 20 1 1 A 115 115 GLU CA C 115 56.402 55.700 0.702 1
1 1292 . 20 1 1 A 115 115 GLU CB C 115 30.249 31.140 -0.891 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 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 114 1.269 1
3 1 1 1 "RMS(OBS, PRED)" CB 110 1.512 1
4 1 1 1 "RMS(OBS, PRED)" H 109 0.684 1
5 1 1 1 "RMS(OBS, PRED)" HA 118 0.360 1
6 1 1 1 "RMS(OBS, PRED)" N 108 3.075 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 114 1.233 1
9 1 2 1 "RMS(OBS, PRED)" CB 110 1.555 1
10 1 2 1 "RMS(OBS, PRED)" H 109 0.597 1
11 1 2 1 "RMS(OBS, PRED)" HA 118 0.386 1
12 1 2 1 "RMS(OBS, PRED)" N 108 3.084 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 114 1.377 1
15 1 3 1 "RMS(OBS, PRED)" CB 110 1.429 1
16 1 3 1 "RMS(OBS, PRED)" H 109 0.676 1
17 1 3 1 "RMS(OBS, PRED)" HA 118 0.368 1
18 1 3 1 "RMS(OBS, PRED)" N 108 3.433 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 114 1.222 1
21 1 4 1 "RMS(OBS, PRED)" CB 110 1.753 1
22 1 4 1 "RMS(OBS, PRED)" H 109 0.620 1
23 1 4 1 "RMS(OBS, PRED)" HA 118 0.371 1
24 1 4 1 "RMS(OBS, PRED)" N 108 3.232 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 114 1.381 1
27 1 5 1 "RMS(OBS, PRED)" CB 110 1.523 1
28 1 5 1 "RMS(OBS, PRED)" H 109 0.602 1
29 1 5 1 "RMS(OBS, PRED)" HA 118 0.349 1
30 1 5 1 "RMS(OBS, PRED)" N 108 3.416 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 114 1.397 1
33 1 6 1 "RMS(OBS, PRED)" CB 110 1.625 1
34 1 6 1 "RMS(OBS, PRED)" H 109 0.645 1
35 1 6 1 "RMS(OBS, PRED)" HA 118 0.352 1
36 1 6 1 "RMS(OBS, PRED)" N 108 3.366 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 114 1.297 1
39 1 7 1 "RMS(OBS, PRED)" CB 110 1.667 1
40 1 7 1 "RMS(OBS, PRED)" H 109 0.673 1
41 1 7 1 "RMS(OBS, PRED)" HA 118 0.396 1
42 1 7 1 "RMS(OBS, PRED)" N 108 3.246 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 114 1.241 1
45 1 8 1 "RMS(OBS, PRED)" CB 110 1.507 1
46 1 8 1 "RMS(OBS, PRED)" H 109 0.654 1
47 1 8 1 "RMS(OBS, PRED)" HA 118 0.365 1
48 1 8 1 "RMS(OBS, PRED)" N 108 3.123 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 114 1.255 1
51 1 9 1 "RMS(OBS, PRED)" CB 110 1.481 1
52 1 9 1 "RMS(OBS, PRED)" H 109 0.676 1
53 1 9 1 "RMS(OBS, PRED)" HA 118 0.335 1
54 1 9 1 "RMS(OBS, PRED)" N 108 3.434 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 114 1.368 1
57 1 10 1 "RMS(OBS, PRED)" CB 110 1.745 1
58 1 10 1 "RMS(OBS, PRED)" H 109 0.626 1
59 1 10 1 "RMS(OBS, PRED)" HA 118 0.371 1
60 1 10 1 "RMS(OBS, PRED)" N 108 3.137 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 114 1.374 1
63 1 11 1 "RMS(OBS, PRED)" CB 110 1.611 1
64 1 11 1 "RMS(OBS, PRED)" H 109 0.663 1
65 1 11 1 "RMS(OBS, PRED)" HA 118 0.368 1
66 1 11 1 "RMS(OBS, PRED)" N 108 3.229 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 114 1.320 1
69 1 12 1 "RMS(OBS, PRED)" CB 110 1.537 1
70 1 12 1 "RMS(OBS, PRED)" H 109 0.602 1
71 1 12 1 "RMS(OBS, PRED)" HA 118 0.366 1
72 1 12 1 "RMS(OBS, PRED)" N 108 3.012 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 114 1.151 1
75 1 13 1 "RMS(OBS, PRED)" CB 110 1.637 1
76 1 13 1 "RMS(OBS, PRED)" H 109 0.625 1
77 1 13 1 "RMS(OBS, PRED)" HA 118 0.349 1
78 1 13 1 "RMS(OBS, PRED)" N 108 3.231 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 114 1.205 1
81 1 14 1 "RMS(OBS, PRED)" CB 110 1.657 1
82 1 14 1 "RMS(OBS, PRED)" H 109 0.668 1
83 1 14 1 "RMS(OBS, PRED)" HA 118 0.407 1
84 1 14 1 "RMS(OBS, PRED)" N 108 3.425 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 114 1.479 1
87 1 15 1 "RMS(OBS, PRED)" CB 110 1.769 1
88 1 15 1 "RMS(OBS, PRED)" H 109 0.672 1
89 1 15 1 "RMS(OBS, PRED)" HA 118 0.403 1
90 1 15 1 "RMS(OBS, PRED)" N 108 3.390 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 114 1.227 1
93 1 16 1 "RMS(OBS, PRED)" CB 110 1.483 1
94 1 16 1 "RMS(OBS, PRED)" H 109 0.622 1
95 1 16 1 "RMS(OBS, PRED)" HA 118 0.351 1
96 1 16 1 "RMS(OBS, PRED)" N 108 3.234 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 114 1.411 1
99 1 17 1 "RMS(OBS, PRED)" CB 110 1.605 1
100 1 17 1 "RMS(OBS, PRED)" H 109 0.681 1
101 1 17 1 "RMS(OBS, PRED)" HA 118 0.375 1
102 1 17 1 "RMS(OBS, PRED)" N 108 3.116 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 114 1.299 1
105 1 18 1 "RMS(OBS, PRED)" CB 110 1.697 1
106 1 18 1 "RMS(OBS, PRED)" H 109 0.641 1
107 1 18 1 "RMS(OBS, PRED)" HA 118 0.366 1
108 1 18 1 "RMS(OBS, PRED)" N 108 2.993 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 114 1.434 1
111 1 19 1 "RMS(OBS, PRED)" CB 110 1.838 1
112 1 19 1 "RMS(OBS, PRED)" H 109 0.683 1
113 1 19 1 "RMS(OBS, PRED)" HA 118 0.377 1
114 1 19 1 "RMS(OBS, PRED)" N 108 3.363 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 114 1.273 1
117 1 20 1 "RMS(OBS, PRED)" CB 110 1.532 1
118 1 20 1 "RMS(OBS, PRED)" H 109 0.627 1
119 1 20 1 "RMS(OBS, PRED)" HA 118 0.346 1
120 1 20 1 "RMS(OBS, PRED)" N 108 3.101 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 5 . 1 1 A 2 2 GLU HA H 2 4.399 4.316 0.083 2
1 10 . 1 1 A 2 2 GLU CA C 2 56.358 57.443 -1.085 2
1 11 . 1 1 A 2 2 GLU CB C 2 30.249 29.869 0.380 2
1 13 . 1 1 A 3 3 ASN H H 3 8.699 8.336 0.363 2
1 14 . 1 1 A 3 3 ASN HA H 3 4.753 4.935 -0.182 2
1 19 . 1 1 A 3 3 ASN CA C 3 53.211 52.809 0.402 2
1 20 . 1 1 A 3 3 ASN CB C 3 38.733 38.907 -0.174 2
1 21 . 1 1 A 3 3 ASN N N 3 120.234 121.043 -0.809 2
1 23 . 1 1 A 4 4 SER H H 4 8.428 8.684 -0.256 2
1 24 . 1 1 A 4 4 SER HA H 4 4.395 4.776 -0.381 2
1 27 . 1 1 A 4 4 SER CA C 4 59.048 58.299 0.749 2
1 28 . 1 1 A 4 4 SER CB C 4 63.485 64.517 -1.032 2
1 29 . 1 1 A 4 4 SER N N 4 116.413 120.490 -4.077 2
1 30 . 1 1 A 5 5 GLY H H 5 8.525 8.170 0.355 2
1 31 . 1 1 A 5 5 GLY HA2 H 5 3.970 4.055 -0.085 2
1 32 . 1 1 A 5 5 GLY HA3 H 5 3.969 4.091 -0.122 2
1 33 . 1 1 A 5 5 GLY CA C 5 45.717 45.405 0.312 2
1 34 . 1 1 A 5 5 GLY N N 5 111.196 110.361 0.835 2
1 35 . 1 1 A 6 6 ALA H H 6 7.941 8.336 -0.395 2
1 36 . 1 1 A 6 6 ALA HA H 6 4.206 4.258 -0.052 2
1 40 . 1 1 A 6 6 ALA CA C 6 52.988 52.515 0.473 2
1 41 . 1 1 A 6 6 ALA CB C 6 19.429 19.084 0.345 2
1 42 . 1 1 A 6 6 ALA N N 6 123.277 123.315 -0.038 2
1 43 . 1 1 A 7 7 TYR H H 7 8.351 8.101 0.250 2
1 44 . 1 1 A 7 7 TYR HA H 7 4.509 4.574 -0.065 2
1 51 . 1 1 A 7 7 TYR CA C 7 57.528 57.617 -0.089 2
1 52 . 1 1 A 7 7 TYR CB C 7 39.356 38.336 1.020 2
1 55 . 1 1 A 7 7 TYR N N 7 114.900 117.242 -2.342 2
1 56 . 1 1 A 8 8 THR H H 8 7.735 7.648 0.087 2
1 57 . 1 1 A 8 8 THR HA H 8 4.922 4.453 0.469 2
1 62 . 1 1 A 8 8 THR CA C 8 60.827 61.749 -0.922 2
1 63 . 1 1 A 8 8 THR CB C 8 70.109 70.218 -0.109 2
1 65 . 1 1 A 8 8 THR N N 8 110.856 115.304 -4.448 2
1 66 . 1 1 A 9 9 PHE H H 9 8.816 9.250 -0.434 2
1 67 . 1 1 A 9 9 PHE HA H 9 3.825 4.117 -0.292 2
1 75 . 1 1 A 9 9 PHE CA C 9 62.935 62.225 0.710 2
1 76 . 1 1 A 9 9 PHE CB C 9 39.373 39.525 -0.152 2
1 80 . 1 1 A 9 9 PHE N N 9 121.282 124.302 -3.020 2
1 81 . 1 1 A 10 10 GLU H H 10 9.741 8.318 1.423 2
1 82 . 1 1 A 10 10 GLU HA H 10 3.295 4.007 -0.712 2
1 87 . 1 1 A 10 10 GLU CA C 10 59.586 59.379 0.207 2
1 88 . 1 1 A 10 10 GLU CB C 10 28.453 29.305 -0.852 2
1 90 . 1 1 A 10 10 GLU N N 10 117.454 118.239 -0.785 2
1 91 . 1 1 A 11 11 THR H H 11 7.542 7.867 -0.326 2
1 92 . 1 1 A 11 11 THR HA H 11 3.667 3.926 -0.259 2
1 97 . 1 1 A 11 11 THR CA C 11 66.550 66.607 -0.057 2
1 98 . 1 1 A 11 11 THR CB C 11 66.557 68.206 -1.649 2
1 100 . 1 1 A 11 11 THR N N 11 115.970 116.837 -0.867 2
1 101 . 1 1 A 12 12 ILE H H 12 7.724 7.852 -0.128 2
1 102 . 1 1 A 12 12 ILE HA H 12 3.561 3.639 -0.078 2
1 112 . 1 1 A 12 12 ILE CA C 12 63.395 64.769 -1.374 2
1 113 . 1 1 A 12 12 ILE CB C 12 36.233 37.203 -0.970 2
1 117 . 1 1 A 12 12 ILE N N 12 122.235 121.631 0.604 2
1 118 . 1 1 A 13 13 ALA H H 13 9.099 7.858 1.241 2
1 119 . 1 1 A 13 13 ALA HA H 13 3.975 3.712 0.263 2
1 123 . 1 1 A 13 13 ALA CA C 13 55.666 54.748 0.918 2
1 124 . 1 1 A 13 13 ALA CB C 13 20.126 17.919 2.207 2
1 125 . 1 1 A 13 13 ALA N N 13 122.259 122.026 0.233 2
1 126 . 1 1 A 14 14 ARG H H 14 8.600 7.759 0.841 2
1 127 . 1 1 A 14 14 ARG HA H 14 4.097 3.805 0.292 2
1 134 . 1 1 A 14 14 ARG CA C 14 60.889 58.928 1.961 2
1 135 . 1 1 A 14 14 ARG CB C 14 29.000 29.716 -0.716 2
1 138 . 1 1 A 14 14 ARG N N 14 116.993 118.043 -1.050 2
1 139 . 1 1 A 15 15 GLU H H 15 7.924 7.705 0.219 2
1 140 . 1 1 A 15 15 GLU HA H 15 4.085 3.905 0.180 2
1 145 . 1 1 A 15 15 GLU CA C 15 59.312 59.316 -0.004 2
1 146 . 1 1 A 15 15 GLU CB C 15 29.866 29.439 0.427 2
1 148 . 1 1 A 15 15 GLU N N 15 122.758 118.551 4.207 2
1 149 . 1 1 A 16 16 TRP H H 16 8.864 7.706 1.158 2
1 150 . 1 1 A 16 16 TRP HA H 16 4.740 4.436 0.304 2
1 158 . 1 1 A 16 16 TRP CA C 16 60.839 59.122 1.717 2
1 159 . 1 1 A 16 16 TRP CB C 16 26.693 28.211 -1.518 2
1 163 . 1 1 A 16 16 TRP N N 16 122.323 119.969 2.354 2
1 165 . 1 1 A 17 17 HIS H H 17 8.803 7.183 1.620 2
1 166 . 1 1 A 17 17 HIS HA H 17 3.076 4.107 -1.031 2
1 170 . 1 1 A 17 17 HIS CA C 17 60.683 59.463 1.220 2
1 171 . 1 1 A 17 17 HIS CB C 17 30.772 29.357 1.415 2
1 173 . 1 1 A 17 17 HIS N N 17 121.293 120.557 0.736 2
1 174 . 1 1 A 18 18 GLU H H 18 7.897 8.390 -0.493 2
1 175 . 1 1 A 18 18 GLU HA H 18 3.837 3.987 -0.150 2
1 180 . 1 1 A 18 18 GLU CA C 18 57.506 58.831 -1.325 2
1 181 . 1 1 A 18 18 GLU CB C 18 29.421 29.136 0.285 2
1 183 . 1 1 A 18 18 GLU N N 18 118.162 118.481 -0.319 2
1 184 . 1 1 A 19 19 SER H H 19 7.461 7.765 -0.304 2
1 185 . 1 1 A 19 19 SER HA H 19 4.150 4.413 -0.264 2
1 188 . 1 1 A 19 19 SER CA C 19 60.000 59.960 0.040 2
1 189 . 1 1 A 19 19 SER CB C 19 63.329 63.531 -0.202 2
1 190 . 1 1 A 19 19 SER N N 19 112.802 114.337 -1.535 2
1 191 . 1 1 A 20 20 ASN H H 20 6.638 7.834 -1.196 2
1 192 . 1 1 A 20 20 ASN HA H 20 4.226 4.757 -0.531 2
1 195 . 1 1 A 20 20 ASN CA C 20 53.211 52.977 0.234 2
1 196 . 1 1 A 20 20 ASN CB C 20 37.021 38.809 -1.788 2
1 197 . 1 1 A 20 20 ASN N N 20 121.098 118.721 2.377 2
1 198 . 1 1 A 21 21 LYS H H 21 8.010 8.315 -0.305 2
1 199 . 1 1 A 21 21 LYS HA H 21 4.077 4.394 -0.317 2
1 208 . 1 1 A 21 21 LYS CA C 21 56.558 56.689 -0.131 2
1 209 . 1 1 A 21 21 LYS CB C 21 32.435 33.660 -1.225 2
1 213 . 1 1 A 21 21 LYS N N 21 122.666 121.238 1.428 2
1 214 . 1 1 A 22 22 ARG H H 22 8.007 8.072 -0.065 2
1 215 . 1 1 A 22 22 ARG HA H 22 4.257 4.096 0.161 2
1 222 . 1 1 A 22 22 ARG CA C 22 56.480 55.283 1.197 2
1 223 . 1 1 A 22 22 ARG CB C 22 30.000 31.668 -1.668 2
1 226 . 1 1 A 22 22 ARG N N 22 117.459 120.469 -3.010 2
1 227 . 1 1 A 23 23 TRP H H 23 7.211 7.931 -0.720 2
1 228 . 1 1 A 23 23 TRP HA H 23 4.938 4.776 0.162 2
1 237 . 1 1 A 23 23 TRP CA C 23 55.206 57.427 -2.221 2
1 238 . 1 1 A 23 23 TRP CB C 23 30.772 29.808 0.964 2
1 244 . 1 1 A 23 23 TRP N N 23 118.844 123.856 -5.012 2
1 246 . 1 1 A 24 24 SER H H 24 8.764 8.348 0.416 2
1 247 . 1 1 A 24 24 SER HA H 24 4.520 4.695 -0.175 2
1 250 . 1 1 A 24 24 SER CA C 24 57.647 57.812 -0.165 2
1 251 . 1 1 A 24 24 SER CB C 24 64.419 63.914 0.505 2
1 252 . 1 1 A 24 24 SER N N 24 117.454 117.058 0.396 2
1 253 . 1 1 A 25 25 GLU H H 25 8.976 8.623 0.353 2
1 254 . 1 1 A 25 25 GLU HA H 25 4.076 4.059 0.017 2
1 259 . 1 1 A 25 25 GLU CA C 25 59.360 59.341 0.019 2
1 260 . 1 1 A 25 25 GLU CB C 25 28.960 29.236 -0.276 2
1 262 . 1 1 A 25 25 GLU N N 25 122.323 123.781 -1.458 2
1 263 . 1 1 A 26 26 ASP H H 26 8.608 8.172 0.436 2
1 264 . 1 1 A 26 26 ASP HA H 26 4.400 4.340 0.060 2
1 267 . 1 1 A 26 26 ASP CA C 26 56.327 57.192 -0.865 2
1 268 . 1 1 A 26 26 ASP CB C 26 40.700 40.899 -0.199 2
1 269 . 1 1 A 26 26 ASP N N 26 118.165 120.028 -1.863 2
1 270 . 1 1 A 27 27 HIS H H 27 7.891 7.855 0.036 2
1 271 . 1 1 A 27 27 HIS HA H 27 4.247 4.306 -0.059 2
1 275 . 1 1 A 27 27 HIS CA C 27 58.271 59.242 -0.971 2
1 276 . 1 1 A 27 27 HIS CB C 27 30.483 29.703 0.780 2
1 278 . 1 1 A 27 27 HIS N N 27 120.183 118.200 1.983 2
1 279 . 1 1 A 28 28 ARG H H 28 8.676 8.252 0.424 2
1 280 . 1 1 A 28 28 ARG HA H 28 3.720 3.924 -0.204 2
1 287 . 1 1 A 28 28 ARG CA C 28 59.444 59.407 0.037 2
1 288 . 1 1 A 28 28 ARG CB C 28 30.315 29.926 0.389 2
1 291 . 1 1 A 28 28 ARG N N 28 118.156 120.300 -2.144 2
1 292 . 1 1 A 29 29 SER H H 29 8.359 7.951 0.408 2
1 293 . 1 1 A 29 29 SER HA H 29 4.295 4.162 0.133 2
1 296 . 1 1 A 29 29 SER CA C 29 60.916 61.725 -0.809 2
1 297 . 1 1 A 29 29 SER CB C 29 62.629 62.976 -0.347 2
1 298 . 1 1 A 29 29 SER N N 29 115.374 116.441 -1.067 2
1 299 . 1 1 A 30 30 ARG H H 30 7.860 7.573 0.287 2
1 300 . 1 1 A 30 30 ARG HA H 30 3.850 4.150 -0.300 2
1 307 . 1 1 A 30 30 ARG CA C 30 59.162 58.771 0.391 2
1 308 . 1 1 A 30 30 ARG CB C 30 30.171 30.107 0.064 2
1 311 . 1 1 A 30 30 ARG N N 30 124.066 121.348 2.718 2
1 312 . 1 1 A 31 31 VAL H H 31 7.928 7.980 -0.052 2
1 313 . 1 1 A 31 31 VAL HA H 31 4.728 3.798 0.930 2
1 321 . 1 1 A 31 31 VAL CA C 31 66.054 65.667 0.387 2
1 322 . 1 1 A 31 31 VAL CB C 31 31.961 31.442 0.519 2
1 325 . 1 1 A 31 31 VAL N N 31 116.760 119.274 -2.514 2
1 326 . 1 1 A 32 32 LEU H H 32 7.314 7.978 -0.664 2
1 327 . 1 1 A 32 32 LEU HA H 32 3.867 4.047 -0.180 2
1 337 . 1 1 A 32 32 LEU CA C 32 57.406 58.357 -0.951 2
1 338 . 1 1 A 32 32 LEU CB C 32 40.912 41.742 -0.830 2
1 342 . 1 1 A 32 32 LEU N N 32 117.541 121.953 -4.412 2
1 343 . 1 1 A 33 33 ARG H H 33 7.914 8.142 -0.228 2
1 344 . 1 1 A 33 33 ARG HA H 33 4.070 4.004 0.066 2
1 351 . 1 1 A 33 33 ARG CA C 33 58.815 59.531 -0.716 2
1 352 . 1 1 A 33 33 ARG CB C 33 29.393 29.908 -0.515 2
1 355 . 1 1 A 33 33 ARG N N 33 118.510 119.444 -0.934 2
1 356 . 1 1 A 34 34 TYR H H 34 8.211 8.153 0.058 2
1 357 . 1 1 A 34 34 TYR HA H 34 4.533 4.247 0.286 2
1 364 . 1 1 A 34 34 TYR CA C 34 59.593 61.232 -1.639 2
1 365 . 1 1 A 34 34 TYR CB C 34 37.021 38.667 -1.646 2
1 368 . 1 1 A 34 34 TYR N N 34 116.416 121.370 -4.954 2
1 369 . 1 1 A 35 35 LEU H H 35 7.904 8.513 -0.609 2
1 370 . 1 1 A 35 35 LEU HA H 35 3.670 3.931 -0.261 2
1 380 . 1 1 A 35 35 LEU CA C 35 57.967 58.125 -0.158 2
1 381 . 1 1 A 35 35 LEU CB C 35 40.740 41.545 -0.806 2
1 385 . 1 1 A 35 35 LEU N N 35 118.885 120.948 -2.063 2
1 386 . 1 1 A 36 36 GLU H H 36 8.662 8.299 0.363 2
1 387 . 1 1 A 36 36 GLU HA H 36 3.993 4.134 -0.141 2
1 392 . 1 1 A 36 36 GLU CA C 36 59.749 59.249 0.500 2
1 393 . 1 1 A 36 36 GLU CB C 36 29.887 29.360 0.527 2
1 395 . 1 1 A 36 36 GLU N N 36 120.936 118.433 2.503 2
1 396 . 1 1 A 37 37 LEU H H 37 8.195 7.675 0.520 2
1 397 . 1 1 A 37 37 LEU HA H 37 3.979 4.116 -0.137 2
1 407 . 1 1 A 37 37 LEU CA C 37 56.947 56.840 0.107 2
1 408 . 1 1 A 37 37 LEU CB C 37 42.936 42.310 0.626 2
1 412 . 1 1 A 37 37 LEU N N 37 116.413 120.046 -3.633 2
1 413 . 1 1 A 38 38 TYR H H 38 7.663 7.744 -0.081 2
1 414 . 1 1 A 38 38 TYR HA H 38 4.951 4.350 0.601 2
1 421 . 1 1 A 38 38 TYR CA C 38 58.581 59.535 -0.954 2
1 422 . 1 1 A 38 38 TYR CB C 38 41.068 39.158 1.910 2
1 425 . 1 1 A 38 38 TYR N N 38 110.509 117.765 -7.256 2
1 426 . 1 1 A 39 39 ILE H H 39 7.833 7.735 0.098 2
1 427 . 1 1 A 39 39 ILE HA H 39 4.642 3.927 0.715 2
1 437 . 1 1 A 39 39 ILE CA C 39 60.000 61.992 -1.992 2
1 438 . 1 1 A 39 39 ILE CB C 39 37.111 38.928 -1.817 2
1 442 . 1 1 A 39 39 ILE N N 39 116.068 119.289 -3.221 2
1 443 . 1 1 A 40 40 PHE H H 40 9.117 7.784 1.333 2
1 444 . 1 1 A 40 40 PHE HA H 40 4.634 4.790 -0.156 2
1 452 . 1 1 A 40 40 PHE CA C 40 57.492 55.794 1.698 2
1 453 . 1 1 A 40 40 PHE CB C 40 34.374 37.872 -3.498 2
1 457 . 1 1 A 40 40 PHE N N 40 121.241 120.542 0.699 2
1 458 . 1 1 A 41 41 PRO HA H 41 4.388 4.496 -0.108 2
1 465 . 1 1 A 41 41 PRO CA C 41 66.132 65.951 0.181 2
1 466 . 1 1 A 41 41 PRO CB C 41 31.261 31.371 -0.110 2
1 469 . 1 1 A 42 42 HIS H H 42 7.153 7.837 -0.684 2
1 470 . 1 1 A 42 42 HIS HA H 42 4.678 4.580 0.098 2
1 474 . 1 1 A 42 42 HIS CA C 42 57.336 57.358 -0.022 2
1 475 . 1 1 A 42 42 HIS CB C 42 32.895 30.779 2.116 2
1 477 . 1 1 A 42 42 HIS N N 42 111.205 115.691 -4.486 2
1 478 . 1 1 A 43 43 ILE H H 43 7.327 7.726 -0.399 2
1 479 . 1 1 A 43 43 ILE HA H 43 4.938 4.293 0.645 2
1 489 . 1 1 A 43 43 ILE CA C 43 60.527 61.004 -0.477 2
1 490 . 1 1 A 43 43 ILE CB C 43 40.445 37.906 2.539 2
1 494 . 1 1 A 43 43 ILE N N 43 105.996 112.961 -6.965 2
1 495 . 1 1 A 44 44 GLY H H 44 8.958 8.316 0.642 2
1 496 . 1 1 A 44 44 GLY HA2 H 44 4.340 3.850 0.490 2
1 497 . 1 1 A 44 44 GLY HA3 H 44 3.855 3.977 -0.122 2
1 498 . 1 1 A 44 44 GLY CA C 44 48.385 46.056 2.329 2
1 499 . 1 1 A 44 44 GLY N N 44 110.704 112.650 -1.946 2
1 500 . 1 1 A 45 45 SER H H 45 8.294 7.917 0.377 2
1 501 . 1 1 A 45 45 SER HA H 45 4.517 4.489 0.028 2
1 504 . 1 1 A 45 45 SER CA C 45 58.270 58.487 -0.217 2
1 505 . 1 1 A 45 45 SER CB C 45 63.563 63.748 -0.185 2
1 506 . 1 1 A 45 45 SER N N 45 110.505 114.176 -3.671 2
1 507 . 1 1 A 46 46 SER H H 46 7.689 7.394 0.295 2
1 508 . 1 1 A 46 46 SER HA H 46 4.322 4.766 -0.444 2
1 511 . 1 1 A 46 46 SER CA C 46 59.282 58.067 1.215 2
1 512 . 1 1 A 46 46 SER CB C 46 63.719 64.551 -0.832 2
1 513 . 1 1 A 46 46 SER N N 46 119.190 117.867 1.323 2
1 514 . 1 1 A 47 47 ASP H H 47 8.646 8.615 0.031 2
1 515 . 1 1 A 47 47 ASP HA H 47 4.446 4.806 -0.360 2
1 518 . 1 1 A 47 47 ASP CA C 47 54.145 53.765 0.380 2
1 519 . 1 1 A 47 47 ASP CB C 47 41.652 42.461 -0.809 2
1 520 . 1 1 A 47 47 ASP N N 47 124.868 124.630 0.238 2
1 521 . 1 1 A 48 48 ILE H H 48 9.406 8.735 0.671 2
1 522 . 1 1 A 48 48 ILE HA H 48 4.091 4.135 -0.044 2
1 532 . 1 1 A 48 48 ILE CA C 48 63.844 63.413 0.431 2
1 533 . 1 1 A 48 48 ILE CB C 48 39.845 38.197 1.648 2
1 537 . 1 1 A 48 48 ILE N N 48 129.573 126.088 3.485 2
1 538 . 1 1 A 49 49 ARG H H 49 9.004 8.272 0.732 2
1 539 . 1 1 A 49 49 ARG HA H 49 4.166 4.259 -0.093 2
1 546 . 1 1 A 49 49 ARG CA C 49 57.534 58.195 -0.661 2
1 547 . 1 1 A 49 49 ARG CB C 49 29.870 30.156 -0.286 2
1 548 . 1 1 A 49 49 ARG N N 49 119.541 120.697 -1.156 2
1 549 . 1 1 A 50 50 GLN H H 50 7.868 7.739 0.129 2
1 550 . 1 1 A 50 50 GLN HA H 50 4.498 4.608 -0.110 2
1 557 . 1 1 A 50 50 GLN CA C 50 54.633 54.838 -0.205 2
1 558 . 1 1 A 50 50 GLN CB C 50 29.548 28.959 0.589 2
1 560 . 1 1 A 50 50 GLN N N 50 114.374 118.829 -4.455 2
1 562 . 1 1 A 51 51 LEU H H 51 6.799 8.711 -1.913 2
1 563 . 1 1 A 51 51 LEU HA H 51 4.516 4.840 -0.324 2
1 573 . 1 1 A 51 51 LEU CA C 51 54.519 54.340 0.179 2
1 574 . 1 1 A 51 51 LEU CB C 51 43.014 43.970 -0.956 2
1 578 . 1 1 A 51 51 LEU N N 51 119.548 127.375 -7.827 2
1 579 . 1 1 A 52 52 LYS H H 52 10.373 8.517 1.856 2
1 580 . 1 1 A 52 52 LYS HA H 52 4.725 4.731 -0.006 2
1 589 . 1 1 A 52 52 LYS CA C 52 53.806 54.713 -0.907 2
1 590 . 1 1 A 52 52 LYS CB C 52 34.394 34.722 -0.328 2
1 594 . 1 1 A 52 52 LYS N N 52 125.943 123.305 2.638 2
1 595 . 1 1 A 53 53 THR H H 53 8.724 8.682 0.042 2
1 596 . 1 1 A 53 53 THR HA H 53 4.727 4.665 0.062 2
1 601 . 1 1 A 53 53 THR CA C 53 57.570 61.295 -3.725 2
1 602 . 1 1 A 53 53 THR CB C 53 68.467 69.912 -1.445 2
1 604 . 1 1 A 53 53 THR N N 53 117.533 114.914 2.619 2
1 605 . 1 1 A 54 54 SER H H 54 8.416 8.925 -0.509 2
1 606 . 1 1 A 54 54 SER HA H 54 4.743 4.280 0.463 2
1 609 . 1 1 A 54 54 SER CA C 54 61.306 60.491 0.815 2
1 610 . 1 1 A 54 54 SER CB C 54 61.132 62.762 -1.630 2
1 611 . 1 1 A 54 54 SER N N 54 112.941 117.043 -4.102 2
1 612 . 1 1 A 55 55 HIS H H 55 7.077 7.900 -0.823 2
1 613 . 1 1 A 55 55 HIS HA H 55 4.425 4.345 0.080 2
1 617 . 1 1 A 55 55 HIS CA C 55 58.659 59.114 -0.455 2
1 618 . 1 1 A 55 55 HIS CB C 55 33.051 29.778 3.273 2
1 620 . 1 1 A 55 55 HIS N N 55 120.680 119.135 1.545 2
1 621 . 1 1 A 56 56 LEU H H 56 7.410 7.701 -0.291 2
1 622 . 1 1 A 56 56 LEU HA H 56 3.916 3.994 -0.078 2
1 632 . 1 1 A 56 56 LEU CA C 56 56.558 57.384 -0.826 2
1 633 . 1 1 A 56 56 LEU CB C 56 42.547 41.455 1.092 2
1 637 . 1 1 A 56 56 LEU N N 56 115.029 117.181 -2.152 2
1 638 . 1 1 A 57 57 LEU H H 57 7.906 7.739 0.167 2
1 639 . 1 1 A 57 57 LEU HA H 57 4.073 4.090 -0.017 2
1 649 . 1 1 A 57 57 LEU CA C 57 56.047 57.234 -1.187 2
1 650 . 1 1 A 57 57 LEU CB C 57 42.575 41.310 1.265 2
1 654 . 1 1 A 57 57 LEU N N 57 113.214 121.426 -8.212 2
1 655 . 1 1 A 58 58 ALA H H 58 7.367 8.054 -0.687 2
1 656 . 1 1 A 58 58 ALA HA H 58 4.176 4.026 0.150 2
1 660 . 1 1 A 58 58 ALA CA C 58 57.049 57.202 -0.152 2
1 661 . 1 1 A 58 58 ALA CB C 58 15.362 17.107 -1.745 2
1 662 . 1 1 A 58 58 ALA N N 58 120.662 121.726 -1.064 2
1 663 . 1 1 A 59 59 PRO HA H 59 4.133 4.348 -0.215 2
1 670 . 1 1 A 59 59 PRO CA C 59 65.120 65.612 -0.492 2
1 671 . 1 1 A 59 59 PRO CB C 59 31.183 30.821 0.362 2
1 674 . 1 1 A 60 60 ILE H H 60 6.643 7.414 -0.771 2
1 675 . 1 1 A 60 60 ILE HA H 60 3.383 3.825 -0.442 2
1 685 . 1 1 A 60 60 ILE CA C 60 64.886 63.734 1.152 2
1 686 . 1 1 A 60 60 ILE CB C 60 37.799 36.898 0.901 2
1 690 . 1 1 A 60 60 ILE N N 60 117.809 116.485 1.324 2
1 691 . 1 1 A 61 61 LYS H H 61 8.635 8.046 0.589 2
1 692 . 1 1 A 61 61 LYS HA H 61 3.992 4.138 -0.146 2
1 701 . 1 1 A 61 61 LYS CA C 61 59.048 59.201 -0.153 2
1 702 . 1 1 A 61 61 LYS CB C 61 31.678 31.942 -0.264 2
1 706 . 1 1 A 61 61 LYS N N 61 120.585 121.859 -1.274 2
1 707 . 1 1 A 62 62 GLU H H 62 7.664 7.824 -0.160 2
1 708 . 1 1 A 62 62 GLU HA H 62 3.992 4.077 -0.085 2
1 713 . 1 1 A 62 62 GLU CA C 62 59.593 59.123 0.470 2
1 714 . 1 1 A 62 62 GLU CB C 62 28.975 29.362 -0.387 2
1 716 . 1 1 A 62 62 GLU N N 62 118.505 119.245 -0.740 2
1 717 . 1 1 A 63 63 VAL H H 63 7.227 7.749 -0.522 2
1 718 . 1 1 A 63 63 VAL HA H 63 3.545 3.740 -0.195 2
1 726 . 1 1 A 63 63 VAL CA C 63 65.663 65.492 0.171 2
1 727 . 1 1 A 63 63 VAL CB C 63 31.650 31.573 0.077 2
1 730 . 1 1 A 63 63 VAL N N 63 119.540 119.407 0.133 2
1 731 . 1 1 A 64 64 ASP H H 64 8.281 8.346 -0.065 2
1 732 . 1 1 A 64 64 ASP HA H 64 3.984 4.435 -0.451 2
1 735 . 1 1 A 64 64 ASP CA C 64 58.860 57.256 1.604 2
1 736 . 1 1 A 64 64 ASP CB C 64 42.561 41.029 1.532 2
1 737 . 1 1 A 64 64 ASP N N 64 122.316 120.896 1.420 2
1 738 . 1 1 A 65 65 THR H H 65 8.818 8.085 0.733 2
1 739 . 1 1 A 65 65 THR HA H 65 4.310 4.077 0.233 2
1 744 . 1 1 A 65 65 THR CA C 65 68.825 65.492 3.333 2
1 745 . 1 1 A 65 65 THR CB C 65 65.195 68.515 -3.320 2
1 747 . 1 1 A 65 65 THR N N 65 112.808 115.971 -3.163 2
1 748 . 1 1 A 66 66 SER H H 66 7.596 7.700 -0.104 2
1 749 . 1 1 A 66 66 SER HA H 66 4.469 4.479 -0.010 2
1 752 . 1 1 A 66 66 SER CA C 66 59.827 59.097 0.730 2
1 753 . 1 1 A 66 66 SER CB C 66 63.641 63.545 0.096 2
1 754 . 1 1 A 66 66 SER N N 66 116.412 114.818 1.594 2
1 755 . 1 1 A 67 67 GLY H H 67 7.781 7.843 -0.062 2
1 756 . 1 1 A 67 67 GLY HA2 H 67 4.467 4.028 0.439 2
1 757 . 1 1 A 67 67 GLY HA3 H 67 3.355 4.049 -0.694 2
1 758 . 1 1 A 67 67 GLY CA C 67 44.337 45.275 -0.938 2
1 759 . 1 1 A 67 67 GLY N N 67 108.565 108.159 0.406 2
1 760 . 1 1 A 68 68 LYS H H 68 6.932 7.907 -0.975 2
1 761 . 1 1 A 68 68 LYS HA H 68 4.706 4.437 0.269 2
1 770 . 1 1 A 68 68 LYS CA C 68 54.145 55.515 -1.370 2
1 771 . 1 1 A 68 68 LYS CB C 68 30.325 31.381 -1.056 2
1 775 . 1 1 A 68 68 LYS N N 68 121.979 120.003 1.976 2
1 776 . 1 1 A 69 69 HIS H H 69 7.630 8.096 -0.466 2
1 777 . 1 1 A 69 69 HIS HA H 69 4.544 4.296 0.248 2
1 780 . 1 1 A 69 69 HIS CA C 69 58.270 59.158 -0.889 2
1 781 . 1 1 A 69 69 HIS CB C 69 28.303 29.205 -0.902 2
1 782 . 1 1 A 69 69 HIS N N 69 119.617 120.108 -0.491 2
1 783 . 1 1 A 70 70 ASP H H 70 8.779 8.146 0.633 2
1 784 . 1 1 A 70 70 ASP HA H 70 4.330 4.188 0.142 2
1 787 . 1 1 A 70 70 ASP CA C 70 56.869 57.209 -0.341 2
1 788 . 1 1 A 70 70 ASP CB C 70 39.433 40.768 -1.335 2
1 789 . 1 1 A 70 70 ASP N N 70 118.586 120.856 -2.270 2
1 790 . 1 1 A 71 71 VAL H H 71 7.575 7.991 -0.416 2
1 791 . 1 1 A 71 71 VAL HA H 71 3.232 3.718 -0.486 2
1 799 . 1 1 A 71 71 VAL CA C 71 66.131 65.415 0.716 2
1 800 . 1 1 A 71 71 VAL CB C 71 31.105 31.585 -0.480 2
1 803 . 1 1 A 71 71 VAL N N 71 121.186 118.843 2.343 2
1 804 . 1 1 A 72 72 ALA H H 72 8.022 8.295 -0.273 2
1 805 . 1 1 A 72 72 ALA HA H 72 3.682 3.971 -0.289 2
1 809 . 1 1 A 72 72 ALA CA C 72 55.702 55.771 -0.069 2
1 810 . 1 1 A 72 72 ALA CB C 72 18.028 18.277 -0.249 2
1 811 . 1 1 A 72 72 ALA N N 72 120.675 123.034 -2.359 2
1 812 . 1 1 A 73 73 GLN H H 73 7.793 8.041 -0.248 2
1 813 . 1 1 A 73 73 GLN HA H 73 3.971 3.985 -0.014 2
1 820 . 1 1 A 73 73 GLN CA C 73 58.872 59.086 -0.214 2
1 821 . 1 1 A 73 73 GLN CB C 73 28.073 28.462 -0.389 2
1 823 . 1 1 A 73 73 GLN N N 73 115.949 117.689 -1.740 2
1 825 . 1 1 A 74 74 ARG H H 74 7.795 7.815 -0.020 2
1 826 . 1 1 A 74 74 ARG HA H 74 4.108 4.109 -0.001 2
1 833 . 1 1 A 74 74 ARG CA C 74 59.282 58.952 0.330 2
1 834 . 1 1 A 74 74 ARG CB C 74 29.857 29.947 -0.090 2
1 837 . 1 1 A 74 74 ARG N N 74 119.896 119.666 0.230 2
1 838 . 1 1 A 75 75 LEU H H 75 8.850 8.329 0.521 2
1 839 . 1 1 A 75 75 LEU HA H 75 3.935 4.056 -0.121 2
1 849 . 1 1 A 75 75 LEU CA C 75 57.803 57.875 -0.072 2
1 850 . 1 1 A 75 75 LEU CB C 75 42.858 41.427 1.431 2
1 854 . 1 1 A 75 75 LEU N N 75 118.044 120.031 -1.987 2
1 855 . 1 1 A 76 76 GLN H H 76 8.412 8.519 -0.107 2
1 856 . 1 1 A 76 76 GLN HA H 76 3.790 3.997 -0.207 2
1 861 . 1 1 A 76 76 GLN CA C 76 60.294 58.971 1.324 2
1 862 . 1 1 A 76 76 GLN CB C 76 27.995 28.238 -0.243 2
1 864 . 1 1 A 76 76 GLN N N 76 119.109 117.794 1.315 2
1 865 . 1 1 A 77 77 GLN H H 77 7.788 8.057 -0.269 2
1 866 . 1 1 A 77 77 GLN HA H 77 4.090 4.074 0.016 2
1 873 . 1 1 A 77 77 GLN CA C 77 59.318 58.648 0.670 2
1 874 . 1 1 A 77 77 GLN CB C 77 28.054 28.385 -0.331 2
1 876 . 1 1 A 77 77 GLN N N 77 119.616 119.175 0.441 2
1 878 . 1 1 A 78 78 ARG H H 78 8.552 7.828 0.724 2
1 879 . 1 1 A 78 78 ARG HA H 78 4.171 4.064 0.107 2
1 886 . 1 1 A 78 78 ARG CA C 78 57.946 58.889 -0.944 2
1 887 . 1 1 A 78 78 ARG CB C 78 28.958 30.138 -1.180 2
1 890 . 1 1 A 78 78 ARG N N 78 118.044 119.567 -1.523 2
1 891 . 1 1 A 79 79 VAL H H 79 8.958 7.903 1.055 2
1 892 . 1 1 A 79 79 VAL HA H 79 3.603 3.913 -0.310 2
1 900 . 1 1 A 79 79 VAL CA C 79 67.284 65.835 1.449 2
1 901 . 1 1 A 79 79 VAL CB C 79 31.228 31.640 -0.412 2
1 904 . 1 1 A 79 79 VAL N N 79 116.998 119.117 -2.119 2
1 905 . 1 1 A 80 80 THR H H 80 7.938 7.969 -0.031 2
1 906 . 1 1 A 80 80 THR HA H 80 4.301 3.977 0.324 2
1 911 . 1 1 A 80 80 THR CA C 80 67.976 66.031 1.945 2
1 912 . 1 1 A 80 80 THR CB C 80 67.466 68.483 -1.017 2
1 914 . 1 1 A 80 80 THR N N 80 115.701 115.227 0.474 2
1 915 . 1 1 A 81 81 ALA H H 81 7.656 7.683 -0.027 2
1 916 . 1 1 A 81 81 ALA HA H 81 4.070 3.993 0.077 2
1 920 . 1 1 A 81 81 ALA CA C 81 55.232 54.928 0.304 2
1 921 . 1 1 A 81 81 ALA CB C 81 18.087 17.975 0.112 2
1 922 . 1 1 A 81 81 ALA N N 81 124.407 123.379 1.028 2
1 923 . 1 1 A 82 82 ILE H H 82 7.901 7.799 0.102 2
1 924 . 1 1 A 82 82 ILE HA H 82 2.733 3.753 -1.020 2
1 934 . 1 1 A 82 82 ILE CA C 82 65.450 65.056 0.394 2
1 935 . 1 1 A 82 82 ILE CB C 82 37.569 37.811 -0.242 2
1 939 . 1 1 A 82 82 ILE N N 82 121.196 119.349 1.847 2
1 940 . 1 1 A 83 83 MET H H 83 8.258 8.357 -0.099 2
1 941 . 1 1 A 83 83 MET HA H 83 4.556 4.160 0.396 2
1 949 . 1 1 A 83 83 MET CA C 83 56.403 58.791 -2.388 2
1 950 . 1 1 A 83 83 MET CB C 83 29.782 32.151 -2.369 2
1 953 . 1 1 A 83 83 MET N N 83 120.154 119.359 0.795 2
1 954 . 1 1 A 84 84 ARG H H 84 7.915 7.923 -0.008 2
1 955 . 1 1 A 84 84 ARG HA H 84 4.039 3.950 0.089 2
1 962 . 1 1 A 84 84 ARG CA C 84 59.749 59.127 0.622 2
1 963 . 1 1 A 84 84 ARG CB C 84 30.000 29.755 0.245 2
1 966 . 1 1 A 84 84 ARG N N 84 116.534 119.589 -3.055 2
1 967 . 1 1 A 85 85 TYR H H 85 8.221 7.947 0.274 2
1 968 . 1 1 A 85 85 TYR HA H 85 4.255 4.273 -0.018 2
1 975 . 1 1 A 85 85 TYR CA C 85 61.382 61.345 0.037 2
1 976 . 1 1 A 85 85 TYR CB C 85 38.499 38.023 0.476 2
1 979 . 1 1 A 85 85 TYR N N 85 122.313 120.148 2.165 2
1 980 . 1 1 A 86 86 ALA H H 86 8.804 8.253 0.551 2
1 981 . 1 1 A 86 86 ALA HA H 86 4.223 4.245 -0.022 2
1 985 . 1 1 A 86 86 ALA CA C 86 55.043 55.131 -0.088 2
1 986 . 1 1 A 86 86 ALA CB C 86 18.087 18.400 -0.313 2
1 987 . 1 1 A 86 86 ALA N N 86 123.291 122.564 0.727 2
1 988 . 1 1 A 87 87 VAL H H 87 8.113 7.919 0.194 2
1 989 . 1 1 A 87 87 VAL HA H 87 4.170 3.554 0.616 2
1 997 . 1 1 A 87 87 VAL CA C 87 65.146 66.569 -1.423 2
1 998 . 1 1 A 87 87 VAL CB C 87 31.897 31.504 0.393 2
1 1001 . 1 1 A 87 87 VAL N N 87 120.144 118.135 2.009 2
1 1002 . 1 1 A 88 88 GLN H H 88 8.458 8.072 0.386 2
1 1003 . 1 1 A 88 88 GLN HA H 88 3.983 3.982 0.001 2
1 1010 . 1 1 A 88 88 GLN CA C 88 58.270 58.795 -0.525 2
1 1011 . 1 1 A 88 88 GLN CB C 88 28.075 28.268 -0.193 2
1 1013 . 1 1 A 88 88 GLN N N 88 120.751 119.791 0.960 2
1 1015 . 1 1 A 89 89 ASN H H 89 7.359 7.760 -0.401 2
1 1016 . 1 1 A 89 89 ASN HA H 89 4.486 4.766 -0.280 2
1 1021 . 1 1 A 89 89 ASN CA C 89 53.444 52.807 0.637 2
1 1022 . 1 1 A 89 89 ASN CB C 89 38.932 38.616 0.316 2
1 1023 . 1 1 A 89 89 ASN N N 89 113.850 114.864 -1.014 2
1 1025 . 1 1 A 90 90 ASP H H 90 7.849 8.070 -0.221 2
1 1026 . 1 1 A 90 90 ASP HA H 90 4.387 4.322 0.065 2
1 1029 . 1 1 A 90 90 ASP CA C 90 55.935 55.137 0.798 2
1 1030 . 1 1 A 90 90 ASP CB C 90 38.811 39.288 -0.477 2
1 1031 . 1 1 A 90 90 ASP N N 90 113.293 117.497 -4.204 2
1 1032 . 1 1 A 91 91 TYR H H 91 8.489 8.160 0.329 2
1 1033 . 1 1 A 91 91 TYR HA H 91 4.589 4.519 0.070 2
1 1040 . 1 1 A 91 91 TYR CA C 91 60.000 59.391 0.609 2
1 1041 . 1 1 A 91 91 TYR CB C 91 38.811 39.489 -0.678 2
1 1044 . 1 1 A 91 91 TYR N N 91 116.072 118.117 -2.045 2
1 1045 . 1 1 A 92 92 ILE H H 92 7.131 7.523 -0.392 2
1 1046 . 1 1 A 92 92 ILE HA H 92 4.684 4.511 0.173 2
1 1056 . 1 1 A 92 92 ILE CA C 92 59.126 60.225 -1.099 2
1 1057 . 1 1 A 92 92 ILE CB C 92 41.846 40.187 1.659 2
1 1061 . 1 1 A 92 92 ILE N N 92 107.409 115.440 -8.031 2
1 1062 . 1 1 A 93 93 ASP H H 93 8.731 8.597 0.134 2
1 1063 . 1 1 A 93 93 ASP HA H 93 4.707 4.713 -0.006 2
1 1066 . 1 1 A 93 93 ASP CA C 93 54.689 55.156 -0.467 2
1 1067 . 1 1 A 93 93 ASP CB C 93 41.924 41.622 0.302 2
1 1068 . 1 1 A 93 93 ASP N N 93 118.847 122.153 -3.306 2
1 1069 . 1 1 A 94 94 SER H H 94 7.638 8.028 -0.390 2
1 1070 . 1 1 A 94 94 SER HA H 94 4.491 4.748 -0.257 2
1 1073 . 1 1 A 94 94 SER CA C 94 57.102 57.803 -0.701 2
1 1074 . 1 1 A 94 94 SER CB C 94 64.186 65.278 -1.092 2
1 1075 . 1 1 A 94 94 SER N N 94 112.240 114.246 -2.006 2
1 1076 . 1 1 A 95 95 ASN H H 95 8.801 8.631 0.170 2
1 1077 . 1 1 A 95 95 ASN HA H 95 4.942 5.280 -0.338 2
1 1082 . 1 1 A 95 95 ASN CA C 95 49.941 50.824 -0.883 2
1 1083 . 1 1 A 95 95 ASN CB C 95 39.356 39.027 0.329 2
1 1084 . 1 1 A 95 95 ASN N N 95 119.551 121.304 -1.753 2
1 1086 . 1 1 A 96 96 PRO HA H 96 4.632 4.536 0.096 2
1 1093 . 1 1 A 96 96 PRO CA C 96 63.564 63.604 -0.040 2
1 1094 . 1 1 A 96 96 PRO CB C 96 32.058 32.330 -0.272 2
1 1097 . 1 1 A 97 97 ALA H H 97 8.335 8.331 0.004 2
1 1098 . 1 1 A 97 97 ALA HA H 97 4.436 4.244 0.193 2
1 1102 . 1 1 A 97 97 ALA CA C 97 52.055 52.768 -0.713 2
1 1103 . 1 1 A 97 97 ALA CB C 97 18.998 18.358 0.640 2
1 1104 . 1 1 A 97 97 ALA N N 97 121.226 120.206 1.020 2
1 1105 . 1 1 A 98 98 SER H H 98 7.600 8.117 -0.517 2
1 1106 . 1 1 A 98 98 SER HA H 98 4.168 4.423 -0.255 2
1 1109 . 1 1 A 98 98 SER CA C 98 60.372 60.482 -0.110 2
1 1110 . 1 1 A 98 98 SER CB C 98 63.018 63.634 -0.616 2
1 1111 . 1 1 A 98 98 SER N N 98 114.935 114.225 0.710 2
1 1112 . 1 1 A 99 99 ASP H H 99 8.098 8.083 0.015 2
1 1113 . 1 1 A 99 99 ASP HA H 99 4.760 4.698 0.062 2
1 1116 . 1 1 A 99 99 ASP CA C 99 54.300 54.271 0.029 2
1 1117 . 1 1 A 99 99 ASP CB C 99 40.835 41.065 -0.230 2
1 1118 . 1 1 A 99 99 ASP N N 99 119.889 121.129 -1.240 2
1 1119 . 1 1 A 100 100 MET H H 100 7.885 8.103 -0.218 2
1 1120 . 1 1 A 100 100 MET HA H 100 4.205 4.574 -0.369 2
1 1128 . 1 1 A 100 100 MET CA C 100 57.025 57.037 -0.012 2
1 1129 . 1 1 A 100 100 MET CB C 100 33.038 32.944 0.094 2
1 1132 . 1 1 A 100 100 MET N N 100 119.185 119.562 -0.377 2
1 1133 . 1 1 A 101 101 ALA H H 101 8.041 7.743 0.298 2
1 1134 . 1 1 A 101 101 ALA HA H 101 4.137 4.517 -0.380 2
1 1138 . 1 1 A 101 101 ALA CA C 101 53.655 51.529 2.126 2
1 1139 . 1 1 A 101 101 ALA CB C 101 18.537 19.486 -0.949 2
1 1140 . 1 1 A 101 101 ALA N N 101 122.264 121.407 0.857 2
1 1141 . 1 1 A 102 102 GLY H H 102 8.293 8.351 -0.058 2
1 1142 . 1 1 A 102 102 GLY HA2 H 102 3.910 4.099 -0.189 2
1 1143 . 1 1 A 102 102 GLY HA3 H 102 3.913 4.102 -0.189 2
1 1144 . 1 1 A 102 102 GLY CA C 102 45.664 45.547 0.117 2
1 1145 . 1 1 A 102 102 GLY N N 102 107.557 108.477 -0.920 2
1 1146 . 1 1 A 103 103 ALA H H 103 7.955 8.307 -0.352 2
1 1147 . 1 1 A 103 103 ALA HA H 103 4.235 4.363 -0.128 2
1 1151 . 1 1 A 103 103 ALA CA C 103 53.423 52.151 1.272 2
1 1152 . 1 1 A 103 103 ALA CB C 103 19.219 18.989 0.230 2
1 1153 . 1 1 A 103 103 ALA N N 103 123.285 123.540 -0.255 2
1 1154 . 1 1 A 104 104 LEU H H 104 8.145 8.330 -0.185 2
1 1155 . 1 1 A 104 104 LEU HA H 104 4.301 4.390 -0.089 2
1 1165 . 1 1 A 104 104 LEU CA C 104 55.312 56.075 -0.763 2
1 1166 . 1 1 A 104 104 LEU CB C 104 41.644 42.623 -0.979 2
1 1170 . 1 1 A 104 104 LEU N N 104 118.570 121.294 -2.724 2
1 1171 . 1 1 A 105 105 SER H H 105 8.040 8.043 -0.003 2
1 1172 . 1 1 A 105 105 SER HA H 105 4.390 4.555 -0.165 2
1 1175 . 1 1 A 105 105 SER CA C 105 58.893 58.963 -0.070 2
1 1176 . 1 1 A 105 105 SER CB C 105 63.424 63.934 -0.510 2
1 1177 . 1 1 A 105 105 SER N N 105 115.022 113.986 1.036 2
1 1178 . 1 1 A 106 106 THR H H 106 8.032 7.692 0.340 2
1 1179 . 1 1 A 106 106 THR HA H 106 4.293 4.578 -0.285 2
1 1184 . 1 1 A 106 106 THR CA C 106 62.037 61.609 0.428 2
1 1185 . 1 1 A 106 106 THR CB C 106 69.401 69.769 -0.368 2
1 1187 . 1 1 A 106 106 THR N N 106 115.371 113.132 2.239 2
1 1188 . 1 1 A 107 107 THR H H 107 7.940 8.514 -0.574 2
1 1189 . 1 1 A 107 107 THR HA H 107 4.296 4.719 -0.423 2
1 1194 . 1 1 A 107 107 THR CA C 107 61.539 61.568 -0.029 2
1 1195 . 1 1 A 107 107 THR CB C 107 61.610 70.434 -8.824 2
1 1197 . 1 1 A 107 107 THR N N 107 122.759 118.374 4.385 2
1 1198 . 1 1 A 108 108 LYS H H 108 8.240 8.595 -0.355 2
1 1199 . 1 1 A 108 108 LYS HA H 108 4.241 4.695 -0.454 2
1 1208 . 1 1 A 108 108 LYS CA C 108 56.324 55.601 0.723 2
1 1209 . 1 1 A 108 108 LYS CB C 108 32.817 34.083 -1.266 2
1 1213 . 1 1 A 108 108 LYS N N 108 124.773 122.897 1.876 2
1 1214 . 1 1 A 109 109 ALA H H 109 8.131 8.453 -0.322 2
1 1215 . 1 1 A 109 109 ALA HA H 109 4.224 4.488 -0.264 2
1 1219 . 1 1 A 109 109 ALA CA C 109 52.432 52.731 -0.299 2
1 1220 . 1 1 A 109 109 ALA CB C 109 19.017 20.233 -1.216 2
1 1221 . 1 1 A 109 109 ALA N N 109 124.331 125.051 -0.720 2
1 1222 . 1 1 A 110 110 ARG H H 110 8.114 7.804 0.310 2
1 1223 . 1 1 A 110 110 ARG HA H 110 4.191 4.404 -0.212 2
1 1230 . 1 1 A 110 110 ARG CA C 110 56.013 56.120 -0.107 2
1 1231 . 1 1 A 110 110 ARG CB C 110 30.871 30.887 -0.016 2
1 1234 . 1 1 A 110 110 ARG N N 110 119.544 117.716 1.828 2
1 1235 . 1 1 A 111 111 HIS H H 111 8.283 8.516 -0.233 2
1 1236 . 1 1 A 111 111 HIS HA H 111 4.604 4.823 -0.219 2
1 1240 . 1 1 A 111 111 HIS CA C 111 55.448 55.332 0.116 2
1 1241 . 1 1 A 111 111 HIS CB C 111 29.866 30.892 -1.026 2
1 1243 . 1 1 A 111 111 HIS N N 111 119.886 121.217 -1.331 2
1 1244 . 1 1 A 112 112 TYR H H 112 8.179 8.376 -0.197 2
1 1245 . 1 1 A 112 112 TYR HA H 112 4.766 4.829 -0.063 2
1 1252 . 1 1 A 112 112 TYR CA C 112 55.701 56.249 -0.548 2
1 1253 . 1 1 A 112 112 TYR CB C 112 38.110 40.017 -1.907 2
1 1256 . 1 1 A 112 112 TYR N N 112 122.673 122.997 -0.324 2
1 1257 . 1 1 A 113 113 PRO HA H 113 4.399 4.583 -0.184 2
1 1264 . 1 1 A 113 113 PRO CA C 113 63.097 62.806 0.291 2
1 1265 . 1 1 A 113 113 PRO CB C 113 31.684 32.333 -0.649 2
1 1268 . 1 1 A 114 114 LEU H H 114 8.225 8.485 -0.260 2
1 1269 . 1 1 A 114 114 LEU HA H 114 4.265 4.306 -0.041 2
1 1279 . 1 1 A 114 114 LEU CA C 114 55.069 56.091 -1.022 2
1 1280 . 1 1 A 114 114 LEU CB C 114 42.104 42.863 -0.759 2
1 1284 . 1 1 A 114 114 LEU N N 114 121.625 121.715 -0.090 2
1 1285 . 1 1 A 115 115 GLU H H 115 8.273 7.953 0.320 2
1 1286 . 1 1 A 115 115 GLU HA H 115 4.202 4.398 -0.196 2
1 1291 . 1 1 A 115 115 GLU CA C 115 56.402 56.610 -0.208 2
1 1292 . 1 1 A 115 115 GLU CB C 115 30.249 29.953 0.296 2
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