data_16317_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16317
_Entry.PDB_ID 2KLL
_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 10
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 4 4 ILE H H 3 8.198 7.619 0.579 1
1 2 . 1 1 1 A 4 4 ILE HA H 3 4.246 3.951 0.295 1
1 12 . 1 1 1 A 4 4 ILE CA C 3 61.002 62.607 -1.605 1
1 13 . 1 1 1 A 4 4 ILE CB C 3 38.400 39.358 -0.958 1
1 17 . 1 1 1 A 4 4 ILE N N 3 121.904 120.618 1.286 1
1 18 . 1 1 1 A 5 5 THR H H 4 8.045 7.666 0.379 1
1 19 . 1 1 1 A 5 5 THR HA H 4 4.328 4.331 -0.003 1
1 24 . 1 1 1 A 5 5 THR CA C 4 61.754 61.432 0.322 1
1 25 . 1 1 1 A 5 5 THR CB C 4 69.755 70.252 -0.497 1
1 27 . 1 1 1 A 5 5 THR N N 4 117.078 113.662 3.416 1
1 28 . 1 1 1 A 6 6 GLY H H 5 8.294 8.883 -0.589 1
1 29 . 1 1 1 A 6 6 GLY HA2 H 5 3.978 3.937 0.041 1
1 30 . 1 1 1 A 6 6 GLY HA3 H 5 4.040 3.949 0.091 1
1 31 . 1 1 1 A 6 6 GLY CA C 5 45.204 45.070 0.134 1
1 32 . 1 1 1 A 6 6 GLY N N 5 110.823 112.725 -1.902 1
1 33 . 1 1 1 A 7 7 ILE H H 6 7.850 7.708 0.142 1
1 34 . 1 1 1 A 7 7 ILE HA H 6 4.507 4.364 0.143 1
1 44 . 1 1 1 A 7 7 ILE CA C 6 61.058 59.618 1.440 1
1 45 . 1 1 1 A 7 7 ILE CB C 6 39.405 39.445 -0.040 1
1 49 . 1 1 1 A 7 7 ILE N N 6 117.894 118.651 -0.757 1
1 50 . 1 1 1 A 8 8 SER H H 7 8.484 8.832 -0.348 1
1 51 . 1 1 1 A 8 8 SER HA H 7 5.138 5.112 0.026 1
1 54 . 1 1 1 A 8 8 SER CA C 7 55.586 55.152 0.434 1
1 55 . 1 1 1 A 8 8 SER CB C 7 63.867 65.325 -1.458 1
1 56 . 1 1 1 A 8 8 SER N N 7 119.581 116.281 3.300 1
1 57 . 1 1 1 A 9 9 PRO HA H 8 4.070 4.121 -0.051 1
1 64 . 1 1 1 A 9 9 PRO CA C 8 62.783 62.634 0.149 1
1 65 . 1 1 1 A 9 9 PRO CB C 8 32.390 31.771 0.619 1
1 68 . 1 1 1 A 10 10 ILE H H 9 8.916 8.797 0.119 1
1 69 . 1 1 1 A 10 10 ILE HA H 9 4.231 4.141 0.090 1
1 79 . 1 1 1 A 10 10 ILE CA C 9 62.297 62.966 -0.669 1
1 80 . 1 1 1 A 10 10 ILE CB C 9 39.145 38.752 0.393 1
1 84 . 1 1 1 A 10 10 ILE N N 9 119.667 119.069 0.598 1
1 85 . 1 1 1 A 11 11 THR H H 10 7.263 7.597 -0.334 1
1 86 . 1 1 1 A 11 11 THR HA H 10 4.577 4.609 -0.032 1
1 91 . 1 1 1 A 11 11 THR CA C 10 60.889 60.802 0.087 1
1 92 . 1 1 1 A 11 11 THR CB C 10 69.698 70.914 -1.216 1
1 94 . 1 1 1 A 11 11 THR N N 10 112.847 112.214 0.633 1
1 95 . 1 1 1 A 12 12 GLU H H 11 8.157 8.796 -0.639 1
1 96 . 1 1 1 A 12 12 GLU HA H 11 5.689 5.312 0.377 1
1 100 . 1 1 1 A 12 12 GLU CA C 11 54.700 54.951 -0.251 1
1 101 . 1 1 1 A 12 12 GLU CB C 11 33.384 33.289 0.095 1
1 103 . 1 1 1 A 12 12 GLU N N 11 122.192 125.884 -3.692 1
1 104 . 1 1 1 A 13 13 TYR H H 12 8.917 8.780 0.137 1
1 105 . 1 1 1 A 13 13 TYR HA H 12 4.919 5.144 -0.225 1
1 112 . 1 1 1 A 13 13 TYR CA C 12 56.453 56.338 0.115 1
1 113 . 1 1 1 A 13 13 TYR CB C 12 40.158 40.369 -0.211 1
1 118 . 1 1 1 A 13 13 TYR N N 12 119.678 119.643 0.035 1
1 119 . 1 1 1 A 14 14 LEU H H 13 8.420 8.548 -0.128 1
1 120 . 1 1 1 A 14 14 LEU HA H 13 5.201 4.674 0.527 1
1 130 . 1 1 1 A 14 14 LEU CA C 13 53.778 54.335 -0.557 1
1 131 . 1 1 1 A 14 14 LEU CB C 13 43.570 42.820 0.750 1
1 135 . 1 1 1 A 14 14 LEU N N 13 121.655 121.629 0.026 1
1 136 . 1 1 1 A 15 15 ALA H H 14 9.227 8.870 0.357 1
1 137 . 1 1 1 A 15 15 ALA HA H 14 4.979 4.939 0.040 1
1 141 . 1 1 1 A 15 15 ALA CA C 14 50.832 51.692 -0.860 1
1 142 . 1 1 1 A 15 15 ALA CB C 14 23.479 22.954 0.525 1
1 143 . 1 1 1 A 15 15 ALA N N 14 124.927 125.129 -0.202 1
1 144 . 1 1 1 A 16 16 SER H H 15 9.006 8.805 0.201 1
1 145 . 1 1 1 A 16 16 SER HA H 15 5.044 5.171 -0.127 1
1 148 . 1 1 1 A 16 16 SER CA C 15 57.379 56.673 0.706 1
1 149 . 1 1 1 A 16 16 SER CB C 15 64.811 64.486 0.325 1
1 150 . 1 1 1 A 16 16 SER N N 15 115.217 117.400 -2.183 1
1 151 . 1 1 1 A 17 17 LEU H H 16 9.299 8.840 0.459 1
1 152 . 1 1 1 A 17 17 LEU HA H 16 5.350 4.694 0.656 1
1 162 . 1 1 1 A 17 17 LEU CA C 16 54.150 55.283 -1.133 1
1 163 . 1 1 1 A 17 17 LEU CB C 16 45.483 42.355 3.128 1
1 167 . 1 1 1 A 17 17 LEU N N 16 125.526 126.051 -0.525 1
1 168 . 1 1 1 A 18 18 SER H H 17 9.032 9.317 -0.285 1
1 169 . 1 1 1 A 18 18 SER HA H 17 5.707 5.286 0.421 1
1 172 . 1 1 1 A 18 18 SER CA C 17 56.078 57.397 -1.319 1
1 173 . 1 1 1 A 18 18 SER CB C 17 66.504 65.424 1.080 1
1 174 . 1 1 1 A 18 18 SER N N 17 118.219 122.992 -4.773 1
1 175 . 1 1 1 A 19 19 THR H H 18 9.122 8.890 0.232 1
1 176 . 1 1 1 A 19 19 THR HA H 18 4.651 4.465 0.186 1
1 182 . 1 1 1 A 19 19 THR CA C 18 60.871 61.341 -0.470 1
1 183 . 1 1 1 A 19 19 THR CB C 18 71.214 70.580 0.634 1
1 185 . 1 1 1 A 19 19 THR N N 18 110.542 117.707 -7.165 1
1 186 . 1 1 1 A 20 20 TYR H H 19 7.890 9.086 -1.196 1
1 187 . 1 1 1 A 20 20 TYR HA H 19 3.895 4.167 -0.272 1
1 194 . 1 1 1 A 20 20 TYR CA C 19 61.228 60.259 0.969 1
1 195 . 1 1 1 A 20 20 TYR CB C 19 39.123 39.041 0.082 1
1 200 . 1 1 1 A 20 20 TYR N N 19 119.460 123.119 -3.659 1
1 201 . 1 1 1 A 21 21 ASN H H 20 7.312 7.945 -0.633 1
1 202 . 1 1 1 A 21 21 ASN HA H 20 4.663 4.840 -0.177 1
1 205 . 1 1 1 A 21 21 ASN CA C 20 52.035 52.960 -0.925 1
1 206 . 1 1 1 A 21 21 ASN CB C 20 37.228 38.521 -1.293 1
1 207 . 1 1 1 A 21 21 ASN N N 20 112.235 116.196 -3.961 1
1 208 . 1 1 1 A 22 22 ASP H H 21 7.919 7.939 -0.020 1
1 209 . 1 1 1 A 22 22 ASP HA H 21 4.210 4.128 0.082 1
1 212 . 1 1 1 A 22 22 ASP CA C 21 56.289 55.464 0.825 1
1 213 . 1 1 1 A 22 22 ASP CB C 21 38.389 38.931 -0.542 1
1 214 . 1 1 1 A 22 22 ASP N N 21 113.136 115.420 -2.284 1
1 215 . 1 1 1 A 23 23 GLN H H 22 7.621 7.516 0.105 1
1 216 . 1 1 1 A 23 23 GLN HA H 22 4.576 4.915 -0.339 1
1 221 . 1 1 1 A 23 23 GLN CA C 22 55.474 54.343 1.131 1
1 222 . 1 1 1 A 23 23 GLN CB C 22 29.609 32.299 -2.690 1
1 224 . 1 1 1 A 23 23 GLN N N 22 115.930 117.125 -1.195 1
1 225 . 1 1 1 A 24 24 SER H H 23 8.847 9.136 -0.289 1
1 226 . 1 1 1 A 24 24 SER HA H 23 4.699 5.480 -0.781 1
1 229 . 1 1 1 A 24 24 SER CA C 23 59.518 55.800 3.718 1
1 230 . 1 1 1 A 24 24 SER CB C 23 64.710 66.072 -1.362 1
1 231 . 1 1 1 A 24 24 SER N N 23 118.760 113.917 4.843 1
1 232 . 1 1 1 A 25 25 ILE H H 24 7.851 8.867 -1.016 1
1 233 . 1 1 1 A 25 25 ILE HA H 24 4.685 4.350 0.335 1
1 243 . 1 1 1 A 25 25 ILE CA C 24 59.480 60.829 -1.349 1
1 244 . 1 1 1 A 25 25 ILE CB C 24 36.204 37.934 -1.730 1
1 248 . 1 1 1 A 25 25 ILE N N 24 122.951 123.258 -0.307 1
1 249 . 1 1 1 A 26 26 THR H H 25 8.865 8.630 0.235 1
1 250 . 1 1 1 A 26 26 THR HA H 25 4.615 4.471 0.144 1
1 255 . 1 1 1 A 26 26 THR CA C 25 59.720 61.761 -2.041 1
1 256 . 1 1 1 A 26 26 THR CB C 25 70.755 69.102 1.653 1
1 258 . 1 1 1 A 26 26 THR N N 25 123.404 123.041 0.363 1
1 259 . 1 1 1 A 27 27 PHE H H 26 8.614 8.942 -0.328 1
1 260 . 1 1 1 A 27 27 PHE HA H 26 4.986 4.888 0.098 1
1 268 . 1 1 1 A 27 27 PHE CA C 26 55.673 56.507 -0.834 1
1 269 . 1 1 1 A 27 27 PHE CB C 26 40.422 38.853 1.569 1
1 275 . 1 1 1 A 27 27 PHE N N 26 120.710 126.713 -6.003 1
1 276 . 1 1 1 A 28 28 ALA H H 27 8.989 8.547 0.442 1
1 277 . 1 1 1 A 28 28 ALA HA H 27 4.719 4.759 -0.040 1
1 281 . 1 1 1 A 28 28 ALA CA C 27 51.105 51.041 0.064 1
1 282 . 1 1 1 A 28 28 ALA CB C 27 20.169 20.373 -0.204 1
1 283 . 1 1 1 A 28 28 ALA N N 27 127.571 127.762 -0.191 1
1 284 . 1 1 1 A 29 29 LEU H H 28 8.302 8.983 -0.681 1
1 285 . 1 1 1 A 29 29 LEU HA H 28 4.388 4.875 -0.487 1
1 295 . 1 1 1 A 29 29 LEU CA C 28 54.689 53.347 1.342 1
1 296 . 1 1 1 A 29 29 LEU CB C 28 42.072 43.043 -0.971 1
1 300 . 1 1 1 A 29 29 LEU N N 28 123.967 123.877 0.090 1
1 301 . 1 1 1 A 30 30 GLU H H 29 8.426 8.590 -0.164 1
1 302 . 1 1 1 A 30 30 GLU HA H 29 4.383 4.573 -0.190 1
1 306 . 1 1 1 A 30 30 GLU CA C 29 55.674 54.804 0.870 1
1 307 . 1 1 1 A 30 30 GLU CB C 29 30.616 31.515 -0.899 1
1 309 . 1 1 1 A 30 30 GLU N N 29 123.800 124.039 -0.239 1
1 310 . 1 1 1 A 31 31 ASP H H 30 8.504 8.913 -0.409 1
1 311 . 1 1 1 A 31 31 ASP HA H 30 4.359 4.246 0.113 1
1 314 . 1 1 1 A 31 31 ASP CA C 30 55.650 57.528 -1.878 1
1 315 . 1 1 1 A 31 31 ASP CB C 30 39.912 40.890 -0.978 1
1 316 . 1 1 1 A 31 31 ASP N N 30 121.263 122.938 -1.675 1
1 317 . 1 1 1 A 32 32 GLU H H 31 8.235 7.877 0.358 1
1 318 . 1 1 1 A 32 32 GLU HA H 31 4.039 4.330 -0.291 1
1 323 . 1 1 1 A 32 32 GLU CA C 31 56.572 55.810 0.762 1
1 324 . 1 1 1 A 32 32 GLU CB C 31 29.099 31.099 -2.000 1
1 326 . 1 1 1 A 32 32 GLU N N 31 115.284 113.596 1.688 1
1 327 . 1 1 1 A 33 33 SER H H 32 7.854 7.512 0.342 1
1 328 . 1 1 1 A 33 33 SER HA H 32 4.556 4.634 -0.078 1
1 330 . 1 1 1 A 33 33 SER CA C 32 57.848 56.047 1.801 1
1 331 . 1 1 1 A 33 33 SER CB C 32 64.080 65.355 -1.275 1
1 332 . 1 1 1 A 33 33 SER N N 32 114.403 116.374 -1.971 1
1 333 . 1 1 1 A 34 34 TYR H H 33 8.117 9.069 -0.952 1
1 334 . 1 1 1 A 34 34 TYR HA H 33 4.995 4.948 0.047 1
1 341 . 1 1 1 A 34 34 TYR CA C 33 56.928 56.509 0.419 1
1 342 . 1 1 1 A 34 34 TYR CB C 33 39.116 39.858 -0.742 1
1 347 . 1 1 1 A 34 34 TYR N N 33 119.987 123.686 -3.699 1
1 348 . 1 1 1 A 35 35 GLU H H 34 8.466 8.638 -0.172 1
1 349 . 1 1 1 A 35 35 GLU HA H 34 4.574 4.995 -0.421 1
1 352 . 1 1 1 A 35 35 GLU CA C 34 55.417 55.762 -0.345 1
1 353 . 1 1 1 A 35 35 GLU CB C 34 33.071 31.611 1.460 1
1 355 . 1 1 1 A 35 35 GLU N N 34 120.614 124.637 -4.023 1
1 356 . 1 1 1 A 36 36 ILE H H 35 8.485 8.891 -0.406 1
1 357 . 1 1 1 A 36 36 ILE HA H 35 4.713 4.886 -0.173 1
1 367 . 1 1 1 A 36 36 ILE CA C 35 60.138 60.178 -0.040 1
1 368 . 1 1 1 A 36 36 ILE CB C 35 39.383 40.523 -1.140 1
1 372 . 1 1 1 A 36 36 ILE N N 35 121.673 124.718 -3.045 1
1 373 . 1 1 1 A 37 37 TYR H H 36 8.725 8.322 0.403 1
1 374 . 1 1 1 A 37 37 TYR HA H 36 5.148 5.496 -0.348 1
1 380 . 1 1 1 A 37 37 TYR CA C 36 55.698 56.010 -0.312 1
1 381 . 1 1 1 A 37 37 TYR CB C 36 40.866 41.245 -0.379 1
1 386 . 1 1 1 A 37 37 TYR N N 36 125.169 123.414 1.755 1
1 387 . 1 1 1 A 38 38 VAL H H 37 7.859 8.700 -0.841 1
1 388 . 1 1 1 A 38 38 VAL HA H 37 4.636 4.482 0.154 1
1 396 . 1 1 1 A 38 38 VAL CA C 37 60.937 61.956 -1.019 1
1 397 . 1 1 1 A 38 38 VAL CB C 37 32.382 32.265 0.117 1
1 400 . 1 1 1 A 38 38 VAL N N 37 120.727 121.684 -0.957 1
1 401 . 1 1 1 A 39 39 GLU H H 38 8.885 8.987 -0.102 1
1 402 . 1 1 1 A 39 39 GLU HA H 38 4.690 4.865 -0.175 1
1 407 . 1 1 1 A 39 39 GLU CA C 38 55.174 54.417 0.757 1
1 408 . 1 1 1 A 39 39 GLU CB C 38 33.421 32.717 0.704 1
1 410 . 1 1 1 A 39 39 GLU N N 38 124.823 126.940 -2.117 1
1 411 . 1 1 1 A 40 40 ASP H H 39 8.646 8.662 -0.016 1
1 412 . 1 1 1 A 40 40 ASP HA H 39 4.721 4.953 -0.232 1
1 415 . 1 1 1 A 40 40 ASP CA C 39 54.340 54.384 -0.044 1
1 416 . 1 1 1 A 40 40 ASP CB C 39 40.839 42.241 -1.402 1
1 417 . 1 1 1 A 40 40 ASP N N 39 122.400 121.703 0.697 1
1 418 . 1 1 1 A 41 41 LEU H H 40 8.133 8.413 -0.280 1
1 419 . 1 1 1 A 41 41 LEU HA H 40 4.430 4.967 -0.537 1
1 429 . 1 1 1 A 41 41 LEU CA C 40 54.553 53.241 1.312 1
1 430 . 1 1 1 A 41 41 LEU CB C 40 42.942 44.523 -1.581 1
1 434 . 1 1 1 A 41 41 LEU N N 40 122.394 124.034 -1.640 1
1 435 . 1 1 1 A 42 42 LYS H H 41 8.659 8.882 -0.223 1
1 436 . 1 1 1 A 42 42 LYS HA H 41 4.357 4.616 -0.259 1
1 442 . 1 1 1 A 42 42 LYS CA C 41 55.924 56.936 -1.012 1
1 443 . 1 1 1 A 42 42 LYS CB C 41 32.421 35.347 -2.926 1
1 447 . 1 1 1 A 42 42 LYS N N 41 122.920 120.176 2.744 1
1 448 . 1 1 1 A 43 43 LYS H H 42 8.371 7.935 0.436 1
1 449 . 1 1 1 A 43 43 LYS HA H 42 4.223 4.727 -0.504 1
1 455 . 1 1 1 A 43 43 LYS CA C 42 56.924 54.429 2.495 1
1 456 . 1 1 1 A 43 43 LYS CB C 42 32.671 34.745 -2.074 1
1 460 . 1 1 1 A 43 43 LYS N N 42 121.924 117.022 4.902 1
1 461 . 1 1 1 A 44 44 ASP H H 43 8.355 8.602 -0.247 1
1 462 . 1 1 1 A 44 44 ASP HA H 43 4.556 4.674 -0.118 1
1 464 . 1 1 1 A 44 44 ASP CA C 43 54.243 53.680 0.563 1
1 465 . 1 1 1 A 44 44 ASP CB C 43 40.582 39.032 1.550 1
1 466 . 1 1 1 A 44 44 ASP N N 43 118.485 121.333 -2.848 1
1 467 . 1 1 1 A 45 45 GLU H H 44 8.011 8.319 -0.308 1
1 468 . 1 1 1 A 45 45 GLU HA H 44 4.313 4.729 -0.416 1
1 473 . 1 1 1 A 45 45 GLU CA C 44 56.362 55.415 0.947 1
1 474 . 1 1 1 A 45 45 GLU CB C 44 30.265 31.220 -0.955 1
1 476 . 1 1 1 A 45 45 GLU N N 44 119.516 121.995 -2.479 1
1 477 . 1 1 1 A 46 46 LYS H H 45 8.304 8.517 -0.213 1
1 478 . 1 1 1 A 46 46 LYS HA H 45 4.307 4.350 -0.043 1
1 485 . 1 1 1 A 46 46 LYS CA C 45 56.424 56.271 0.153 1
1 486 . 1 1 1 A 46 46 LYS CB C 45 32.421 32.334 0.087 1
1 490 . 1 1 1 A 46 46 LYS N N 45 121.875 124.414 -2.539 1
1 491 . 1 1 1 A 47 47 LYS H H 46 8.280 8.523 -0.243 1
1 492 . 1 1 1 A 47 47 LYS HA H 46 4.469 4.620 -0.151 1
1 498 . 1 1 1 A 47 47 LYS CA C 46 55.514 55.180 0.334 1
1 499 . 1 1 1 A 47 47 LYS CB C 46 33.264 33.712 -0.448 1
1 503 . 1 1 1 A 47 47 LYS N N 46 122.374 125.834 -3.460 1
1 504 . 1 1 1 A 48 48 ASP H H 47 8.778 8.492 0.286 1
1 505 . 1 1 1 A 48 48 ASP HA H 47 4.811 4.898 -0.087 1
1 507 . 1 1 1 A 48 48 ASP CA C 47 54.357 54.262 0.095 1
1 508 . 1 1 1 A 48 48 ASP CB C 47 41.842 41.456 0.386 1
1 509 . 1 1 1 A 48 48 ASP N N 47 122.211 121.961 0.250 1
1 510 . 1 1 1 A 49 49 LYS H H 48 8.388 8.628 -0.240 1
1 511 . 1 1 1 A 49 49 LYS HA H 48 4.593 4.889 -0.296 1
1 519 . 1 1 1 A 49 49 LYS CA C 48 55.134 55.401 -0.267 1
1 520 . 1 1 1 A 49 49 LYS CB C 48 34.993 34.395 0.598 1
1 524 . 1 1 1 A 49 49 LYS N N 48 120.889 126.091 -5.202 1
1 525 . 1 1 1 A 50 50 VAL H H 49 9.063 8.912 0.151 1
1 526 . 1 1 1 A 50 50 VAL HA H 49 4.097 4.479 -0.382 1
1 534 . 1 1 1 A 50 50 VAL CA C 49 59.275 60.839 -1.564 1
1 535 . 1 1 1 A 50 50 VAL CB C 49 33.958 34.008 -0.050 1
1 538 . 1 1 1 A 50 50 VAL N N 49 118.350 123.331 -4.981 1
1 539 . 1 1 1 A 51 51 LEU H H 50 8.238 8.753 -0.515 1
1 540 . 1 1 1 A 51 51 LEU HA H 50 4.561 4.545 0.016 1
1 550 . 1 1 1 A 51 51 LEU CA C 50 54.877 54.840 0.037 1
1 551 . 1 1 1 A 51 51 LEU CB C 50 42.481 42.547 -0.066 1
1 555 . 1 1 1 A 51 51 LEU N N 50 125.236 130.356 -5.120 1
1 556 . 1 1 1 A 52 52 LEU H H 51 9.286 8.921 0.365 1
1 557 . 1 1 1 A 52 52 LEU HA H 51 5.190 5.441 -0.251 1
1 567 . 1 1 1 A 52 52 LEU CA C 51 54.228 53.275 0.953 1
1 568 . 1 1 1 A 52 52 LEU CB C 51 42.961 43.470 -0.509 1
1 572 . 1 1 1 A 52 52 LEU N N 51 134.513 130.160 4.353 1
1 573 . 1 1 1 A 53 53 SER H H 52 7.992 8.876 -0.884 1
1 574 . 1 1 1 A 53 53 SER HA H 52 5.233 5.600 -0.367 1
1 577 . 1 1 1 A 53 53 SER CA C 52 56.869 56.185 0.684 1
1 578 . 1 1 1 A 53 53 SER CB C 52 62.776 65.743 -2.967 1
1 579 . 1 1 1 A 53 53 SER N N 52 117.641 119.171 -1.530 1
1 580 . 1 1 1 A 54 54 TYR H H 53 8.703 8.976 -0.273 1
1 581 . 1 1 1 A 54 54 TYR HA H 53 5.611 5.529 0.082 1
1 588 . 1 1 1 A 54 54 TYR CA C 53 56.264 56.708 -0.444 1
1 589 . 1 1 1 A 54 54 TYR CB C 53 40.455 41.343 -0.888 1
1 594 . 1 1 1 A 54 54 TYR N N 53 122.503 124.390 -1.887 1
1 595 . 1 1 1 A 55 55 TYR H H 54 9.813 9.114 0.699 1
1 596 . 1 1 1 A 55 55 TYR HA H 54 4.983 5.158 -0.175 1
1 603 . 1 1 1 A 55 55 TYR CA C 54 56.465 56.056 0.409 1
1 604 . 1 1 1 A 55 55 TYR CB C 54 41.898 42.516 -0.618 1
1 609 . 1 1 1 A 55 55 TYR N N 54 120.204 120.793 -0.589 1
1 610 . 1 1 1 A 56 56 GLU H H 55 8.804 8.988 -0.184 1
1 611 . 1 1 1 A 56 56 GLU HA H 55 4.913 5.085 -0.172 1
1 616 . 1 1 1 A 56 56 GLU CA C 55 55.700 54.951 0.749 1
1 617 . 1 1 1 A 56 56 GLU CB C 55 31.684 32.200 -0.516 1
1 619 . 1 1 1 A 56 56 GLU N N 55 120.472 122.095 -1.623 1
1 620 . 1 1 1 A 57 57 SER H H 56 8.580 8.782 -0.202 1
1 621 . 1 1 1 A 57 57 SER HA H 56 4.619 5.021 -0.402 1
1 624 . 1 1 1 A 57 57 SER CA C 56 57.332 56.967 0.365 1
1 625 . 1 1 1 A 57 57 SER CB C 56 64.338 63.853 0.485 1
1 626 . 1 1 1 A 57 57 SER N N 56 117.342 120.185 -2.843 1
1 627 . 1 1 1 A 58 58 GLN H H 57 8.426 8.699 -0.273 1
1 628 . 1 1 1 A 58 58 GLN HA H 57 4.482 4.867 -0.385 1
1 632 . 1 1 1 A 58 58 GLN CA C 57 55.364 54.666 0.698 1
1 633 . 1 1 1 A 58 58 GLN CB C 57 29.603 30.378 -0.775 1
1 635 . 1 1 1 A 58 58 GLN N N 57 121.444 125.364 -3.920 1
1 636 . 1 1 1 A 59 59 HIS H H 58 8.481 8.940 -0.459 1
1 637 . 1 1 1 A 59 59 HIS HA H 58 4.862 4.960 -0.098 1
1 641 . 1 1 1 A 59 59 HIS CA C 58 54.055 54.007 0.048 1
1 642 . 1 1 1 A 59 59 HIS CB C 58 30.237 30.402 -0.165 1
1 643 . 1 1 1 A 59 59 HIS N N 58 122.199 122.219 -0.020 1
1 644 . 1 1 1 A 60 60 PRO HA H 59 4.506 4.528 -0.022 1
1 650 . 1 1 1 A 60 60 PRO CA C 59 63.254 63.034 0.220 1
1 651 . 1 1 1 A 60 60 PRO CB C 59 31.829 32.633 -0.804 1
1 654 . 1 1 1 A 62 62 ASN H H 61 8.465 8.849 -0.384 1
1 655 . 1 1 1 A 62 62 ASN HA H 61 4.769 4.334 0.435 1
1 657 . 1 1 1 A 62 62 ASN CA C 61 53.310 54.321 -1.011 1
1 658 . 1 1 1 A 62 62 ASN CB C 61 38.545 37.092 1.453 1
1 659 . 1 1 1 A 62 62 ASN N N 61 120.049 122.020 -1.971 1
1 660 . 1 1 1 A 63 63 GLU H H 62 8.369 7.908 0.461 1
1 661 . 1 1 1 A 63 63 GLU HA H 62 4.348 4.666 -0.318 1
1 666 . 1 1 1 A 63 63 GLU CA C 62 56.828 57.917 -1.089 1
1 667 . 1 1 1 A 63 63 GLU CB C 62 30.044 31.948 -1.904 1
1 669 . 1 1 1 A 63 63 GLU N N 62 120.260 117.497 2.763 1
1 670 . 1 1 1 A 64 64 SER H H 63 8.254 7.854 0.400 1
1 671 . 1 1 1 A 64 64 SER HA H 63 4.494 4.739 -0.245 1
1 674 . 1 1 1 A 64 64 SER CA C 63 58.213 57.526 0.687 1
1 675 . 1 1 1 A 64 64 SER CB C 63 63.799 65.727 -1.928 1
1 676 . 1 1 1 A 64 64 SER N N 63 115.291 113.532 1.759 1
1 677 . 1 1 1 A 65 65 GLY H H 64 8.294 8.454 -0.160 1
1 678 . 1 1 1 A 65 65 GLY HA2 H 64 4.001 3.938 0.063 1
1 679 . 1 1 1 A 65 65 GLY CA C 64 45.306 45.340 -0.034 1
1 680 . 1 1 1 A 65 65 GLY N N 64 110.364 114.098 -3.734 1
1 681 . 1 1 1 A 66 66 ASP H H 65 8.227 8.181 0.046 1
1 682 . 1 1 1 A 66 66 ASP HA H 65 4.664 4.195 0.469 1
1 684 . 1 1 1 A 66 66 ASP CA C 65 54.180 55.016 -0.836 1
1 685 . 1 1 1 A 66 66 ASP CB C 65 41.160 39.261 1.899 1
1 686 . 1 1 1 A 66 66 ASP N N 65 119.894 116.308 3.586 1
1 687 . 1 1 1 A 67 67 GLY H H 66 8.379 8.133 0.246 1
1 688 . 1 1 1 A 67 67 GLY HA2 H 66 3.997 3.975 0.022 1
1 689 . 1 1 1 A 67 67 GLY CA C 66 45.216 45.174 0.042 1
1 690 . 1 1 1 A 67 67 GLY N N 66 108.939 107.083 1.856 1
1 691 . 1 1 1 A 68 68 VAL H H 67 8.008 8.428 -0.420 1
1 692 . 1 1 1 A 68 68 VAL HA H 67 4.164 4.461 -0.297 1
1 700 . 1 1 1 A 68 68 VAL CA C 67 62.133 60.376 1.757 1
1 701 . 1 1 1 A 68 68 VAL CB C 67 32.509 31.071 1.438 1
1 704 . 1 1 1 A 68 68 VAL N N 67 118.651 117.607 1.044 1
1 705 . 1 1 1 A 69 69 ASP H H 68 8.441 8.008 0.433 1
1 706 . 1 1 1 A 69 69 ASP HA H 68 4.664 4.275 0.389 1
1 709 . 1 1 1 A 69 69 ASP CA C 68 54.211 55.576 -1.365 1
1 710 . 1 1 1 A 69 69 ASP CB C 68 40.995 39.115 1.880 1
1 711 . 1 1 1 A 69 69 ASP N N 68 122.953 116.957 5.996 1
1 712 . 1 1 1 A 70 70 GLY H H 69 8.231 7.878 0.353 1
1 713 . 1 1 1 A 70 70 GLY HA2 H 69 3.980 4.120 -0.140 1
1 714 . 1 1 1 A 70 70 GLY CA C 69 45.347 45.447 -0.100 1
1 715 . 1 1 1 A 70 70 GLY N N 69 108.501 104.453 4.048 1
1 716 . 1 1 1 A 71 71 LYS H H 70 8.097 8.161 -0.064 1
1 717 . 1 1 1 A 71 71 LYS HA H 70 4.552 4.198 0.354 1
1 725 . 1 1 1 A 71 71 LYS CA C 70 55.514 56.518 -1.004 1
1 726 . 1 1 1 A 71 71 LYS CB C 70 33.267 33.396 -0.129 1
1 730 . 1 1 1 A 71 71 LYS N N 70 120.089 120.357 -0.268 1
1 731 . 1 1 1 A 72 72 MET H H 71 8.485 8.543 -0.058 1
1 732 . 1 1 1 A 72 72 MET HA H 71 4.622 4.551 0.071 1
1 740 . 1 1 1 A 72 72 MET CA C 71 54.810 55.325 -0.515 1
1 741 . 1 1 1 A 72 72 MET CB C 71 34.060 33.035 1.025 1
1 744 . 1 1 1 A 72 72 MET N N 71 121.815 121.586 0.229 1
1 745 . 1 1 1 A 73 73 LEU H H 72 8.792 8.923 -0.131 1
1 746 . 1 1 1 A 73 73 LEU HA H 72 5.140 4.948 0.192 1
1 756 . 1 1 1 A 73 73 LEU CA C 72 53.671 53.681 -0.010 1
1 757 . 1 1 1 A 73 73 LEU CB C 72 44.258 42.455 1.803 1
1 761 . 1 1 1 A 73 73 LEU N N 72 124.871 125.708 -0.837 1
1 762 . 1 1 1 A 74 74 MET H H 73 9.089 8.835 0.254 1
1 763 . 1 1 1 A 74 74 MET HA H 73 5.741 4.885 0.856 1
1 770 . 1 1 1 A 74 74 MET CA C 73 53.328 55.002 -1.674 1
1 771 . 1 1 1 A 74 74 MET CB C 73 36.526 34.449 2.077 1
1 774 . 1 1 1 A 74 74 MET N N 73 119.200 124.235 -5.035 1
1 775 . 1 1 1 A 75 75 VAL H H 74 10.046 8.879 1.167 1
1 776 . 1 1 1 A 75 75 VAL HA H 74 6.298 5.158 1.140 1
1 784 . 1 1 1 A 75 75 VAL CA C 74 58.377 60.115 -1.738 1
1 785 . 1 1 1 A 75 75 VAL CB C 74 36.528 35.512 1.016 1
1 788 . 1 1 1 A 75 75 VAL N N 74 116.505 119.958 -3.453 1
1 789 . 1 1 1 A 76 76 THR H H 75 8.519 9.219 -0.700 1
1 790 . 1 1 1 A 76 76 THR HA H 75 4.978 5.374 -0.396 1
1 795 . 1 1 1 A 76 76 THR CA C 75 59.451 60.205 -0.754 1
1 796 . 1 1 1 A 76 76 THR CB C 75 71.755 70.990 0.765 1
1 798 . 1 1 1 A 76 76 THR N N 75 111.166 119.962 -8.796 1
1 799 . 1 1 1 A 77 77 LEU H H 76 10.195 9.156 1.039 1
1 800 . 1 1 1 A 77 77 LEU HA H 76 5.175 5.117 0.058 1
1 810 . 1 1 1 A 77 77 LEU CA C 76 55.214 53.529 1.685 1
1 811 . 1 1 1 A 77 77 LEU CB C 76 45.718 43.651 2.067 1
1 815 . 1 1 1 A 77 77 LEU N N 76 121.235 126.655 -5.420 1
1 816 . 1 1 1 A 78 78 SER H H 77 8.596 8.634 -0.038 1
1 817 . 1 1 1 A 78 78 SER HA H 77 5.427 4.838 0.589 1
1 821 . 1 1 1 A 78 78 SER CA C 77 52.060 55.548 -3.488 1
1 822 . 1 1 1 A 78 78 SER CB C 77 63.768 64.020 -0.252 1
1 823 . 1 1 1 A 78 78 SER N N 77 116.108 118.553 -2.445 1
1 824 . 1 1 1 A 79 79 PRO HA H 78 4.257 4.366 -0.109 1
1 831 . 1 1 1 A 79 79 PRO CA C 78 62.972 63.486 -0.514 1
1 832 . 1 1 1 A 79 79 PRO CB C 78 31.667 31.340 0.327 1
1 835 . 1 1 1 A 80 80 THR H H 79 6.796 7.238 -0.442 1
1 836 . 1 1 1 A 80 80 THR HA H 79 4.204 4.600 -0.396 1
1 842 . 1 1 1 A 80 80 THR CA C 79 60.016 60.076 -0.060 1
1 843 . 1 1 1 A 80 80 THR CB C 79 68.509 70.901 -2.392 1
1 845 . 1 1 1 A 80 80 THR N N 79 110.183 107.680 2.503 1
1 846 . 1 1 1 A 81 81 LYS H H 80 7.638 8.648 -1.010 1
1 847 . 1 1 1 A 81 81 LYS HA H 80 3.744 4.203 -0.459 1
1 853 . 1 1 1 A 81 81 LYS CA C 80 58.578 58.114 0.464 1
1 854 . 1 1 1 A 81 81 LYS CB C 80 32.325 32.394 -0.069 1
1 858 . 1 1 1 A 81 81 LYS N N 80 124.973 119.458 5.515 1
1 859 . 1 1 1 A 82 82 ASP H H 81 8.255 7.626 0.629 1
1 860 . 1 1 1 A 82 82 ASP HA H 81 4.277 3.982 0.295 1
1 863 . 1 1 1 A 82 82 ASP CA C 81 57.378 54.474 2.904 1
1 864 . 1 1 1 A 82 82 ASP CB C 81 39.348 41.353 -2.005 1
1 865 . 1 1 1 A 82 82 ASP N N 81 117.344 117.058 0.286 1
1 866 . 1 1 1 A 83 83 PHE H H 82 7.880 7.114 0.766 1
1 867 . 1 1 1 A 83 83 PHE HA H 82 5.243 4.619 0.624 1
1 875 . 1 1 1 A 83 83 PHE CA C 82 56.927 57.399 -0.472 1
1 876 . 1 1 1 A 83 83 PHE CB C 82 41.679 39.402 2.277 1
1 881 . 1 1 1 A 83 83 PHE N N 82 115.687 117.855 -2.168 1
1 882 . 1 1 1 A 84 84 TRP H H 83 8.718 9.188 -0.470 1
1 883 . 1 1 1 A 84 84 TRP HA H 83 5.445 5.146 0.299 1
1 892 . 1 1 1 A 84 84 TRP CA C 83 57.105 56.161 0.944 1
1 893 . 1 1 1 A 84 84 TRP CB C 83 33.602 32.616 0.986 1
1 898 . 1 1 1 A 84 84 TRP N N 83 119.999 123.404 -3.405 1
1 900 . 1 1 1 A 85 85 LEU H H 84 8.738 8.354 0.384 1
1 901 . 1 1 1 A 85 85 LEU HA H 84 4.802 4.627 0.175 1
1 911 . 1 1 1 A 85 85 LEU CA C 84 56.224 54.755 1.469 1
1 912 . 1 1 1 A 85 85 LEU CB C 84 42.532 41.209 1.323 1
1 916 . 1 1 1 A 85 85 LEU N N 84 123.889 123.148 0.741 1
1 917 . 1 1 1 A 86 86 HIS H H 85 9.563 9.170 0.393 1
1 918 . 1 1 1 A 86 86 HIS HA H 85 5.027 5.114 -0.087 1
1 923 . 1 1 1 A 86 86 HIS CA C 85 54.704 54.499 0.205 1
1 924 . 1 1 1 A 86 86 HIS CB C 85 33.214 32.979 0.235 1
1 926 . 1 1 1 A 86 86 HIS N N 85 121.782 122.888 -1.106 1
1 927 . 1 1 1 A 87 87 ALA H H 86 8.544 8.930 -0.386 1
1 928 . 1 1 1 A 87 87 ALA HA H 86 4.614 4.634 -0.020 1
1 932 . 1 1 1 A 87 87 ALA CA C 86 52.098 51.751 0.347 1
1 933 . 1 1 1 A 87 87 ALA CB C 86 20.690 19.397 1.293 1
1 934 . 1 1 1 A 87 87 ALA N N 86 125.230 126.365 -1.135 1
1 935 . 1 1 1 A 88 88 ASN H H 87 8.846 9.018 -0.172 1
1 936 . 1 1 1 A 88 88 ASN HA H 87 4.862 4.845 0.017 1
1 939 . 1 1 1 A 88 88 ASN CA C 87 51.444 53.176 -1.732 1
1 940 . 1 1 1 A 88 88 ASN CB C 87 37.171 38.435 -1.264 1
1 941 . 1 1 1 A 88 88 ASN N N 87 121.260 123.255 -1.995 1
1 942 . 1 1 1 A 89 89 ASN H H 88 8.638 8.921 -0.283 1
1 943 . 1 1 1 A 89 89 ASN HA H 88 4.284 4.348 -0.064 1
1 946 . 1 1 1 A 89 89 ASN CA C 88 55.788 54.691 1.097 1
1 947 . 1 1 1 A 89 89 ASN CB C 88 37.818 37.493 0.325 1
1 948 . 1 1 1 A 89 89 ASN N N 88 121.570 122.897 -1.327 1
1 949 . 1 1 1 A 90 90 LYS H H 89 8.196 7.922 0.274 1
1 950 . 1 1 1 A 90 90 LYS HA H 89 4.101 3.983 0.118 1
1 957 . 1 1 1 A 90 90 LYS CA C 89 58.402 59.596 -1.194 1
1 958 . 1 1 1 A 90 90 LYS CB C 89 32.018 32.424 -0.406 1
1 962 . 1 1 1 A 90 90 LYS N N 89 119.566 120.792 -1.226 1
1 963 . 1 1 1 A 91 91 GLU H H 90 6.917 7.923 -1.006 1
1 964 . 1 1 1 A 91 91 GLU HA H 90 4.378 4.584 -0.206 1
1 969 . 1 1 1 A 91 91 GLU CA C 90 54.864 55.770 -0.906 1
1 970 . 1 1 1 A 91 91 GLU CB C 90 29.597 29.991 -0.394 1
1 972 . 1 1 1 A 91 91 GLU N N 90 114.145 115.143 -0.998 1
1 973 . 1 1 1 A 92 92 HIS H H 91 7.738 7.558 0.180 1
1 974 . 1 1 1 A 92 92 HIS HA H 91 4.181 4.245 -0.064 1
1 978 . 1 1 1 A 92 92 HIS CA C 91 57.189 56.752 0.437 1
1 979 . 1 1 1 A 92 92 HIS CB C 91 26.154 26.649 -0.495 1
1 980 . 1 1 1 A 92 92 HIS N N 91 115.238 116.135 -0.897 1
1 981 . 1 1 1 A 93 93 SER H H 92 8.415 7.366 1.049 1
1 982 . 1 1 1 A 93 93 SER HA H 92 5.185 5.111 0.074 1
1 985 . 1 1 1 A 93 93 SER CA C 92 56.374 56.916 -0.542 1
1 986 . 1 1 1 A 93 93 SER CB C 92 67.005 66.794 0.211 1
1 987 . 1 1 1 A 93 93 SER N N 92 113.966 110.540 3.426 1
1 988 . 1 1 1 A 94 94 VAL H H 93 8.251 8.871 -0.620 1
1 989 . 1 1 1 A 94 94 VAL HA H 93 4.868 4.867 0.001 1
1 997 . 1 1 1 A 94 94 VAL CA C 93 60.478 61.721 -1.243 1
1 998 . 1 1 1 A 94 94 VAL CB C 93 33.120 32.492 0.628 1
1 1001 . 1 1 1 A 94 94 VAL N N 93 116.256 122.233 -5.977 1
1 1002 . 1 1 1 A 95 95 GLU H H 94 8.904 9.049 -0.145 1
1 1003 . 1 1 1 A 95 95 GLU HA H 94 4.878 4.995 -0.117 1
1 1008 . 1 1 1 A 95 95 GLU CA C 94 53.455 54.509 -1.054 1
1 1009 . 1 1 1 A 95 95 GLU CB C 94 34.430 33.545 0.885 1
1 1011 . 1 1 1 A 95 95 GLU N N 94 122.142 126.453 -4.311 1
1 1012 . 1 1 1 A 96 96 LEU H H 95 8.237 8.093 0.144 1
1 1013 . 1 1 1 A 96 96 LEU HA H 95 4.974 5.105 -0.131 1
1 1023 . 1 1 1 A 96 96 LEU CA C 95 53.731 54.473 -0.742 1
1 1024 . 1 1 1 A 96 96 LEU CB C 95 43.478 42.539 0.939 1
1 1028 . 1 1 1 A 96 96 LEU N N 95 121.305 122.673 -1.368 1
1 1029 . 1 1 1 A 97 97 HIS H H 96 8.294 9.474 -1.180 1
1 1030 . 1 1 1 A 97 97 HIS HA H 96 4.947 5.144 -0.197 1
1 1034 . 1 1 1 A 97 97 HIS CA C 96 54.144 54.436 -0.292 1
1 1035 . 1 1 1 A 97 97 HIS CB C 96 33.344 33.667 -0.323 1
1 1036 . 1 1 1 A 97 97 HIS N N 96 119.193 121.744 -2.551 1
1 1037 . 1 1 1 A 98 98 LYS H H 97 8.582 9.030 -0.448 1
1 1038 . 1 1 1 A 98 98 LYS HA H 97 4.564 4.663 -0.099 1
1 1046 . 1 1 1 A 98 98 LYS CA C 97 55.190 55.073 0.117 1
1 1047 . 1 1 1 A 98 98 LYS CB C 97 31.941 33.376 -1.435 1
1 1051 . 1 1 1 A 98 98 LYS N N 97 127.478 123.460 4.018 1
1 1052 . 1 1 1 A 99 99 CYS H H 98 8.695 9.117 -0.422 1
1 1053 . 1 1 1 A 99 99 CYS HA H 98 4.822 5.104 -0.282 1
1 1056 . 1 1 1 A 99 99 CYS CA C 98 57.391 56.537 0.854 1
1 1057 . 1 1 1 A 99 99 CYS CB C 98 30.916 30.069 0.847 1
1 1058 . 1 1 1 A 99 99 CYS N N 98 122.622 125.091 -2.469 1
1 1059 . 1 1 1 A 100 100 GLU H H 99 8.251 8.710 -0.459 1
1 1060 . 1 1 1 A 100 100 GLU HA H 99 4.513 4.510 0.003 1
1 1064 . 1 1 1 A 100 100 GLU CA C 99 54.674 55.507 -0.833 1
1 1065 . 1 1 1 A 100 100 GLU CB C 99 31.421 30.193 1.228 1
1 1067 . 1 1 1 A 100 100 GLU N N 99 121.252 119.470 1.782 1
1 1068 . 1 1 1 A 101 101 LYS H H 100 8.195 8.998 -0.803 1
1 1069 . 1 1 1 A 101 101 LYS HA H 100 3.953 4.029 -0.076 1
1 1077 . 1 1 1 A 101 101 LYS CA C 100 55.042 61.385 -6.343 1
1 1078 . 1 1 1 A 101 101 LYS CB C 100 31.473 30.267 1.206 1
1 1082 . 1 1 1 A 101 101 LYS N N 100 118.588 121.357 -2.769 1
1 1083 . 1 1 1 A 102 102 PRO HA H 101 4.447 4.450 -0.003 1
1 1090 . 1 1 1 A 102 102 PRO CA C 101 61.513 62.364 -0.851 1
1 1091 . 1 1 1 A 102 102 PRO CB C 101 34.073 29.685 4.388 1
1 1094 . 1 1 1 A 103 103 LEU H H 102 8.384 7.874 0.510 1
1 1095 . 1 1 1 A 103 103 LEU HA H 102 4.175 4.147 0.028 1
1 1105 . 1 1 1 A 103 103 LEU CA C 102 52.733 53.608 -0.875 1
1 1106 . 1 1 1 A 103 103 LEU CB C 102 41.000 41.563 -0.563 1
1 1110 . 1 1 1 A 103 103 LEU N N 102 123.679 124.451 -0.772 1
1 1111 . 1 1 1 A 104 104 PRO HA H 103 4.658 4.606 0.052 1
1 1118 . 1 1 1 A 104 104 PRO CA C 103 61.564 62.291 -0.727 1
1 1119 . 1 1 1 A 104 104 PRO CB C 103 32.310 33.019 -0.709 1
1 1122 . 1 1 1 A 105 105 ASP H H 104 8.605 8.647 -0.042 1
1 1123 . 1 1 1 A 105 105 ASP HA H 104 4.275 4.398 -0.123 1
1 1126 . 1 1 1 A 105 105 ASP CA C 104 57.659 56.623 1.036 1
1 1127 . 1 1 1 A 105 105 ASP CB C 104 40.754 40.401 0.353 1
1 1128 . 1 1 1 A 105 105 ASP N N 104 119.037 120.664 -1.627 1
1 1129 . 1 1 1 A 106 106 GLN H H 105 8.330 7.875 0.455 1
1 1130 . 1 1 1 A 106 106 GLN HA H 105 4.189 4.093 0.096 1
1 1135 . 1 1 1 A 106 106 GLN CA C 105 58.516 57.397 1.119 1
1 1136 . 1 1 1 A 106 106 GLN CB C 105 27.206 28.213 -1.007 1
1 1138 . 1 1 1 A 106 106 GLN N N 105 113.235 117.439 -4.204 1
1 1139 . 1 1 1 A 107 107 ALA H H 106 7.763 7.246 0.517 1
1 1140 . 1 1 1 A 107 107 ALA HA H 106 4.862 3.786 1.076 1
1 1144 . 1 1 1 A 107 107 ALA CA C 106 50.856 53.309 -2.453 1
1 1145 . 1 1 1 A 107 107 ALA CB C 106 18.420 19.055 -0.635 1
1 1146 . 1 1 1 A 107 107 ALA N N 106 121.188 121.113 0.075 1
1 1147 . 1 1 1 A 108 108 PHE H H 107 7.291 7.401 -0.110 1
1 1148 . 1 1 1 A 108 108 PHE HA H 107 4.675 4.293 0.382 1
1 1156 . 1 1 1 A 108 108 PHE CA C 107 57.225 57.293 -0.068 1
1 1157 . 1 1 1 A 108 108 PHE CB C 107 41.449 39.066 2.383 1
1 1163 . 1 1 1 A 108 108 PHE N N 107 114.254 115.703 -1.449 1
1 1164 . 1 1 1 A 109 109 PHE H H 108 9.089 8.885 0.204 1
1 1165 . 1 1 1 A 109 109 PHE HA H 108 5.216 5.183 0.033 1
1 1173 . 1 1 1 A 109 109 PHE CA C 108 55.752 57.015 -1.263 1
1 1174 . 1 1 1 A 109 109 PHE CB C 108 41.744 40.733 1.011 1
1 1180 . 1 1 1 A 109 109 PHE N N 108 119.202 122.697 -3.495 1
1 1181 . 1 1 1 A 110 110 VAL H H 109 10.389 8.860 1.529 1
1 1182 . 1 1 1 A 110 110 VAL HA H 109 4.299 4.109 0.190 1
1 1190 . 1 1 1 A 110 110 VAL CA C 109 62.758 63.357 -0.599 1
1 1191 . 1 1 1 A 110 110 VAL CB C 109 33.099 31.308 1.791 1
1 1194 . 1 1 1 A 110 110 VAL N N 109 125.234 125.012 0.222 1
1 1195 . 1 1 1 A 111 111 LEU H H 110 8.568 8.585 -0.017 1
1 1196 . 1 1 1 A 111 111 LEU HA H 110 4.872 4.702 0.170 1
1 1206 . 1 1 1 A 111 111 LEU CA C 110 54.077 55.677 -1.600 1
1 1207 . 1 1 1 A 111 111 LEU CB C 110 43.562 42.652 0.910 1
1 1211 . 1 1 1 A 111 111 LEU N N 110 130.826 130.321 0.505 1
1 1212 . 1 1 1 A 112 112 HIS H H 111 9.070 9.027 0.043 1
1 1213 . 1 1 1 A 112 112 HIS HA H 111 4.917 5.052 -0.135 1
1 1217 . 1 1 1 A 112 112 HIS CA C 111 54.229 54.520 -0.291 1
1 1218 . 1 1 1 A 112 112 HIS CB C 111 31.745 33.610 -1.865 1
1 1219 . 1 1 1 A 112 112 HIS N N 111 124.953 125.437 -0.484 1
1 1220 . 1 1 1 A 113 113 ASN H H 112 9.018 9.059 -0.041 1
1 1221 . 1 1 1 A 113 113 ASN HA H 112 4.912 4.718 0.194 1
1 1224 . 1 1 1 A 113 113 ASN CA C 112 54.151 53.584 0.567 1
1 1225 . 1 1 1 A 113 113 ASN CB C 112 38.868 39.127 -0.259 1
1 1226 . 1 1 1 A 113 113 ASN N N 112 122.645 121.945 0.700 1
1 1227 . 1 1 1 A 114 114 MET H H 113 8.314 8.536 -0.222 1
1 1228 . 1 1 1 A 114 114 MET HA H 113 4.891 4.660 0.231 1
1 1236 . 1 1 1 A 114 114 MET CA C 113 53.171 56.493 -3.322 1
1 1237 . 1 1 1 A 114 114 MET CB C 113 32.922 34.633 -1.711 1
1 1240 . 1 1 1 A 114 114 MET N N 113 123.103 122.127 0.976 1
1 1241 . 1 1 1 A 115 115 HIS H H 114 7.453 8.060 -0.607 1
1 1242 . 1 1 1 A 115 115 HIS HA H 114 4.664 4.904 -0.240 1
1 1246 . 1 1 1 A 115 115 HIS CA C 114 55.572 54.842 0.730 1
1 1247 . 1 1 1 A 115 115 HIS CB C 114 30.856 31.988 -1.132 1
1 1248 . 1 1 1 A 115 115 HIS N N 114 115.450 114.434 1.016 1
1 1250 . 1 1 1 A 116 116 SER CB C 115 61.131 63.145 -2.014 1
1 1251 . 1 1 1 A 117 117 ASN H H 116 8.912 8.155 0.757 1
1 1252 . 1 1 1 A 117 117 ASN HA H 116 4.556 4.900 -0.344 1
1 1255 . 1 1 1 A 117 117 ASN CA C 116 54.106 52.332 1.774 1
1 1256 . 1 1 1 A 117 117 ASN CB C 116 37.615 39.831 -2.216 1
1 1257 . 1 1 1 A 117 117 ASN N N 116 113.703 113.550 0.153 1
1 1258 . 1 1 1 A 118 118 CYS H H 117 7.532 7.605 -0.073 1
1 1259 . 1 1 1 A 118 118 CYS HA H 117 5.316 4.632 0.684 1
1 1262 . 1 1 1 A 118 118 CYS CA C 117 58.639 59.193 -0.554 1
1 1263 . 1 1 1 A 118 118 CYS CB C 117 30.949 29.029 1.920 1
1 1264 . 1 1 1 A 118 118 CYS N N 117 115.213 120.348 -5.135 1
1 1265 . 1 1 1 A 119 119 VAL H H 118 9.617 9.077 0.540 1
1 1266 . 1 1 1 A 119 119 VAL HA H 118 5.397 5.123 0.274 1
1 1274 . 1 1 1 A 119 119 VAL CA C 118 58.788 59.085 -0.297 1
1 1275 . 1 1 1 A 119 119 VAL CB C 118 35.745 36.156 -0.411 1
1 1278 . 1 1 1 A 119 119 VAL N N 118 116.144 120.256 -4.112 1
1 1279 . 1 1 1 A 120 120 SER H H 119 8.578 8.731 -0.153 1
1 1280 . 1 1 1 A 120 120 SER HA H 119 5.089 5.391 -0.302 1
1 1283 . 1 1 1 A 120 120 SER CA C 119 57.311 56.410 0.901 1
1 1284 . 1 1 1 A 120 120 SER CB C 119 67.751 65.686 2.065 1
1 1285 . 1 1 1 A 120 120 SER N N 119 113.930 117.698 -3.768 1
1 1286 . 1 1 1 A 121 121 PHE H H 120 10.612 9.121 1.491 1
1 1287 . 1 1 1 A 121 121 PHE HA H 120 5.365 5.415 -0.050 1
1 1294 . 1 1 1 A 121 121 PHE CA C 120 55.797 56.580 -0.783 1
1 1295 . 1 1 1 A 121 121 PHE CB C 120 41.542 40.650 0.892 1
1 1300 . 1 1 1 A 121 121 PHE N N 120 120.777 123.944 -3.167 1
1 1301 . 1 1 1 A 122 122 GLU H H 121 9.509 9.433 0.076 1
1 1302 . 1 1 1 A 122 122 GLU HA H 121 4.537 4.913 -0.376 1
1 1307 . 1 1 1 A 122 122 GLU CA C 121 53.200 54.706 -1.506 1
1 1308 . 1 1 1 A 122 122 GLU CB C 121 32.943 32.776 0.167 1
1 1310 . 1 1 1 A 122 122 GLU N N 121 126.070 124.891 1.179 1
1 1311 . 1 1 1 A 123 123 CYS H H 122 9.405 8.879 0.526 1
1 1312 . 1 1 1 A 123 123 CYS HA H 122 4.065 4.759 -0.694 1
1 1315 . 1 1 1 A 123 123 CYS CA C 122 61.504 58.535 2.969 1
1 1316 . 1 1 1 A 123 123 CYS CB C 122 27.626 27.689 -0.063 1
1 1317 . 1 1 1 A 123 123 CYS N N 122 127.122 125.363 1.759 1
1 1318 . 1 1 1 A 124 124 LYS H H 123 7.533 8.789 -1.256 1
1 1319 . 1 1 1 A 124 124 LYS HA H 123 3.831 4.075 -0.244 1
1 1326 . 1 1 1 A 124 124 LYS CA C 123 59.245 58.791 0.454 1
1 1327 . 1 1 1 A 124 124 LYS CB C 123 32.946 32.351 0.595 1
1 1331 . 1 1 1 A 124 124 LYS N N 123 125.643 127.087 -1.444 1
1 1332 . 1 1 1 A 125 125 THR H H 124 8.020 7.874 0.146 1
1 1333 . 1 1 1 A 125 125 THR HA H 124 4.216 4.186 0.030 1
1 1338 . 1 1 1 A 125 125 THR CA C 124 61.424 64.135 -2.711 1
1 1339 . 1 1 1 A 125 125 THR CB C 124 68.505 69.456 -0.951 1
1 1341 . 1 1 1 A 125 125 THR N N 124 102.851 113.979 -11.128 1
1 1342 . 1 1 1 A 126 126 ASP H H 125 6.456 7.955 -1.499 1
1 1343 . 1 1 1 A 126 126 ASP HA H 125 5.125 5.113 0.012 1
1 1346 . 1 1 1 A 126 126 ASP CA C 125 51.060 51.611 -0.551 1
1 1347 . 1 1 1 A 126 126 ASP CB C 125 42.308 42.053 0.255 1
1 1348 . 1 1 1 A 126 126 ASP N N 125 119.891 120.198 -0.307 1
1 1349 . 1 1 1 A 127 127 PRO HA H 126 4.366 4.235 0.131 1
1 1356 . 1 1 1 A 127 127 PRO CA C 126 63.377 63.749 -0.372 1
1 1357 . 1 1 1 A 127 127 PRO CB C 126 31.816 31.494 0.322 1
1 1360 . 1 1 1 A 128 128 GLY H H 127 10.553 8.658 1.895 1
1 1361 . 1 1 1 A 128 128 GLY HA2 H 127 3.775 3.910 -0.135 1
1 1362 . 1 1 1 A 128 128 GLY HA3 H 127 4.318 3.971 0.347 1
1 1363 . 1 1 1 A 128 128 GLY CA C 127 44.954 45.169 -0.215 1
1 1364 . 1 1 1 A 128 128 GLY N N 127 113.361 112.084 1.277 1
1 1365 . 1 1 1 A 129 129 VAL H H 128 7.846 7.252 0.594 1
1 1366 . 1 1 1 A 129 129 VAL HA H 128 4.794 4.445 0.349 1
1 1374 . 1 1 1 A 129 129 VAL CA C 128 61.754 61.361 0.393 1
1 1375 . 1 1 1 A 129 129 VAL CB C 128 31.449 33.457 -2.008 1
1 1378 . 1 1 1 A 129 129 VAL N N 128 121.005 122.209 -1.204 1
1 1379 . 1 1 1 A 130 130 PHE H H 129 9.293 9.345 -0.052 1
1 1380 . 1 1 1 A 130 130 PHE HA H 129 5.819 5.599 0.220 1
1 1388 . 1 1 1 A 130 130 PHE CA C 129 55.600 56.180 -0.580 1
1 1389 . 1 1 1 A 130 130 PHE CB C 129 42.773 42.384 0.389 1
1 1395 . 1 1 1 A 130 130 PHE N N 129 126.384 125.271 1.113 1
1 1396 . 1 1 1 A 131 131 ILE H H 130 8.555 8.848 -0.293 1
1 1397 . 1 1 1 A 131 131 ILE HA H 130 4.375 4.402 -0.027 1
1 1407 . 1 1 1 A 131 131 ILE CA C 130 63.278 62.311 0.967 1
1 1408 . 1 1 1 A 131 131 ILE CB C 130 37.850 38.312 -0.462 1
1 1412 . 1 1 1 A 131 131 ILE N N 130 118.433 124.555 -6.122 1
1 1413 . 1 1 1 A 132 132 GLY H H 131 9.225 8.450 0.775 1
1 1414 . 1 1 1 A 132 132 GLY HA2 H 131 3.693 4.207 -0.514 1
1 1415 . 1 1 1 A 132 132 GLY HA3 H 131 5.248 4.223 1.025 1
1 1416 . 1 1 1 A 132 132 GLY CA C 131 45.218 45.931 -0.713 1
1 1417 . 1 1 1 A 132 132 GLY N N 131 113.442 113.237 0.205 1
1 1418 . 1 1 1 A 133 133 VAL H H 132 8.177 8.237 -0.060 1
1 1419 . 1 1 1 A 133 133 VAL HA H 132 4.710 4.472 0.238 1
1 1427 . 1 1 1 A 133 133 VAL CA C 132 61.537 63.077 -1.540 1
1 1428 . 1 1 1 A 133 133 VAL CB C 132 33.281 31.196 2.085 1
1 1431 . 1 1 1 A 133 133 VAL N N 132 118.438 121.220 -2.782 1
1 1432 . 1 1 1 A 134 134 LYS H H 133 8.752 8.619 0.133 1
1 1433 . 1 1 1 A 134 134 LYS HA H 133 4.472 3.928 0.544 1
1 1440 . 1 1 1 A 134 134 LYS CA C 133 55.257 58.809 -3.552 1
1 1441 . 1 1 1 A 134 134 LYS CB C 133 35.500 32.950 2.550 1
1 1445 . 1 1 1 A 134 134 LYS N N 133 127.706 130.340 -2.634 1
1 1446 . 1 1 1 A 135 135 ASP H H 134 9.321 7.878 1.443 1
1 1447 . 1 1 1 A 135 135 ASP HA H 134 4.230 4.535 -0.305 1
1 1450 . 1 1 1 A 135 135 ASP CA C 134 55.965 55.870 0.095 1
1 1451 . 1 1 1 A 135 135 ASP CB C 134 39.212 42.094 -2.882 1
1 1452 . 1 1 1 A 135 135 ASP N N 134 126.815 118.196 8.619 1
1 1453 . 1 1 1 A 136 136 ASN H H 135 8.603 7.697 0.906 1
1 1454 . 1 1 1 A 136 136 ASN HA H 135 4.380 4.914 -0.534 1
1 1457 . 1 1 1 A 136 136 ASN CA C 135 54.117 52.619 1.498 1
1 1458 . 1 1 1 A 136 136 ASN CB C 135 37.384 39.863 -2.479 1
1 1459 . 1 1 1 A 136 136 ASN N N 135 113.023 110.878 2.145 1
1 1460 . 1 1 1 A 137 137 HIS H H 136 8.112 7.243 0.869 1
1 1461 . 1 1 1 A 137 137 HIS HA H 136 5.116 5.281 -0.165 1
1 1465 . 1 1 1 A 137 137 HIS CA C 136 54.190 53.708 0.482 1
1 1466 . 1 1 1 A 137 137 HIS CB C 136 31.681 32.435 -0.754 1
1 1467 . 1 1 1 A 137 137 HIS N N 136 115.753 115.044 0.709 1
1 1468 . 1 1 1 A 138 138 LEU H H 137 8.553 8.685 -0.132 1
1 1469 . 1 1 1 A 138 138 LEU HA H 137 5.251 4.597 0.654 1
1 1479 . 1 1 1 A 138 138 LEU CA C 137 54.147 55.334 -1.187 1
1 1480 . 1 1 1 A 138 138 LEU CB C 137 42.849 42.546 0.303 1
1 1484 . 1 1 1 A 138 138 LEU N N 137 118.446 121.331 -2.885 1
1 1485 . 1 1 1 A 139 139 ALA H H 138 9.357 9.040 0.317 1
1 1486 . 1 1 1 A 139 139 ALA HA H 138 4.760 4.958 -0.198 1
1 1490 . 1 1 1 A 139 139 ALA CA C 138 51.091 51.163 -0.072 1
1 1491 . 1 1 1 A 139 139 ALA CB C 138 22.924 23.718 -0.794 1
1 1492 . 1 1 1 A 139 139 ALA N N 138 126.689 125.720 0.969 1
1 1493 . 1 1 1 A 140 140 LEU H H 139 7.287 8.949 -1.662 1
1 1494 . 1 1 1 A 140 140 LEU HA H 139 5.278 4.907 0.371 1
1 1504 . 1 1 1 A 140 140 LEU CA C 139 53.026 54.007 -0.981 1
1 1505 . 1 1 1 A 140 140 LEU CB C 139 42.025 41.802 0.223 1
1 1509 . 1 1 1 A 140 140 LEU N N 139 116.219 118.775 -2.556 1
1 1510 . 1 1 1 A 141 141 ILE H H 140 9.676 8.889 0.787 1
1 1511 . 1 1 1 A 141 141 ILE HA H 140 4.321 4.452 -0.131 1
1 1521 . 1 1 1 A 141 141 ILE CA C 140 59.331 61.155 -1.824 1
1 1522 . 1 1 1 A 141 141 ILE CB C 140 40.745 38.508 2.237 1
1 1526 . 1 1 1 A 141 141 ILE N N 140 124.052 125.579 -1.527 1
1 1527 . 1 1 1 A 142 142 LYS H H 141 8.665 8.694 -0.029 1
1 1528 . 1 1 1 A 142 142 LYS HA H 141 5.053 4.696 0.357 1
1 1534 . 1 1 1 A 142 142 LYS CA C 141 55.586 56.265 -0.679 1
1 1535 . 1 1 1 A 142 142 LYS CB C 141 32.709 32.985 -0.276 1
1 1539 . 1 1 1 A 142 142 LYS N N 141 128.856 128.610 0.246 1
1 1540 . 1 1 1 A 143 143 VAL H H 142 8.757 8.457 0.300 1
1 1541 . 1 1 1 A 143 143 VAL HA H 142 4.223 4.683 -0.460 1
1 1549 . 1 1 1 A 143 143 VAL CA C 142 62.032 60.602 1.430 1
1 1550 . 1 1 1 A 143 143 VAL CB C 142 33.008 35.324 -2.316 1
1 1553 . 1 1 1 A 143 143 VAL N N 142 127.220 126.913 0.307 1
1 1554 . 1 1 1 A 144 144 ASP H H 143 8.595 8.709 -0.114 1
1 1555 . 1 1 1 A 144 144 ASP HA H 143 4.698 4.990 -0.292 1
1 1557 . 1 1 1 A 144 144 ASP CB C 143 41.517 41.945 -0.428 1
1 1558 . 1 1 1 A 144 144 ASP N N 143 125.250 125.838 -0.588 1
1 1559 . 1 1 1 A 145 145 SER H H 144 8.296 8.957 -0.661 1
1 1560 . 1 1 1 A 145 145 SER HA H 144 4.455 4.525 -0.070 1
1 1563 . 1 1 1 A 145 145 SER CA C 144 58.814 58.814 0.000 1
1 1564 . 1 1 1 A 145 145 SER CB C 144 63.202 64.084 -0.882 1
1 1565 . 1 1 1 A 145 145 SER N N 144 116.695 117.219 -0.524 1
1 1566 . 1 1 1 A 146 146 SER H H 145 8.512 8.210 0.302 1
1 1567 . 1 1 1 A 146 146 SER HA H 145 4.393 4.705 -0.312 1
1 1570 . 1 1 1 A 146 146 SER CA C 145 59.286 59.541 -0.255 1
1 1571 . 1 1 1 A 146 146 SER CB C 145 63.396 65.275 -1.879 1
1 1572 . 1 1 1 A 146 146 SER N N 145 117.509 115.363 2.146 1
1 1573 . 1 1 1 A 147 147 GLU H H 146 8.145 8.737 -0.592 1
1 1574 . 1 1 1 A 147 147 GLU HA H 146 4.351 4.173 0.178 1
1 1578 . 1 1 1 A 147 147 GLU CA C 146 56.389 58.911 -2.522 1
1 1579 . 1 1 1 A 147 147 GLU N N 146 121.023 121.677 -0.654 1
1 1580 . 1 1 1 A 148 148 ASN H H 147 8.145 7.909 0.236 1
1 1581 . 1 1 1 A 148 148 ASN HA H 147 4.584 5.006 -0.422 1
1 1584 . 1 1 1 A 148 148 ASN CA C 147 53.643 52.070 1.573 1
1 1585 . 1 1 1 A 148 148 ASN CB C 147 38.423 39.105 -0.682 1
1 1586 . 1 1 1 A 148 148 ASN N N 147 118.043 117.280 0.763 1
1 1587 . 1 1 1 A 149 149 LEU H H 148 7.953 8.368 -0.415 1
1 1588 . 1 1 1 A 149 149 LEU HA H 148 4.294 4.232 0.062 1
1 1598 . 1 1 1 A 149 149 LEU CA C 148 55.249 55.430 -0.181 1
1 1599 . 1 1 1 A 149 149 LEU CB C 148 42.000 42.764 -0.764 1
1 1603 . 1 1 1 A 149 149 LEU N N 148 120.366 124.265 -3.899 1
1 1604 . 1 1 1 A 150 150 CYS H H 149 8.141 7.520 0.621 1
1 1605 . 1 1 1 A 150 150 CYS HA H 149 4.517 4.505 0.012 1
1 1608 . 1 1 1 A 150 150 CYS CA C 149 57.817 57.822 -0.005 1
1 1609 . 1 1 1 A 150 150 CYS CB C 149 27.529 26.097 1.432 1
1 1610 . 1 1 1 A 150 150 CYS N N 149 118.879 116.423 2.456 1
1 1611 . 1 1 1 A 151 151 THR H H 150 7.892 8.000 -0.108 1
1 1612 . 1 1 1 A 151 151 THR HA H 150 4.191 4.722 -0.531 1
1 1617 . 1 1 1 A 151 151 THR CA C 150 61.680 61.372 0.308 1
1 1618 . 1 1 1 A 151 151 THR CB C 150 68.930 70.274 -1.344 1
1 1620 . 1 1 1 A 151 151 THR N N 150 117.354 119.931 -2.577 1
1 1621 . 1 1 1 A 152 152 GLU H H 151 8.547 8.828 -0.281 1
1 1622 . 1 1 1 A 152 152 GLU HA H 151 3.600 3.971 -0.371 1
1 1627 . 1 1 1 A 152 152 GLU CA C 151 59.126 59.531 -0.405 1
1 1628 . 1 1 1 A 152 152 GLU CB C 151 28.575 29.459 -0.884 1
1 1630 . 1 1 1 A 152 152 GLU N N 151 122.526 126.690 -4.164 1
1 1631 . 1 1 1 A 153 153 ASN H H 152 8.140 8.627 -0.487 1
1 1632 . 1 1 1 A 153 153 ASN HA H 152 4.525 4.397 0.128 1
1 1635 . 1 1 1 A 153 153 ASN CA C 152 54.838 55.617 -0.779 1
1 1636 . 1 1 1 A 153 153 ASN CB C 152 37.230 37.154 0.076 1
1 1637 . 1 1 1 A 153 153 ASN N N 152 113.916 115.552 -1.636 1
1 1638 . 1 1 1 A 154 154 ILE H H 153 6.885 7.033 -0.148 1
1 1639 . 1 1 1 A 154 154 ILE HA H 153 5.150 4.296 0.854 1
1 1649 . 1 1 1 A 154 154 ILE CA C 153 60.523 60.901 -0.378 1
1 1650 . 1 1 1 A 154 154 ILE CB C 153 38.399 37.346 1.053 1
1 1654 . 1 1 1 A 154 154 ILE N N 153 108.606 112.678 -4.072 1
1 1655 . 1 1 1 A 155 155 LEU H H 154 7.162 7.202 -0.040 1
1 1656 . 1 1 1 A 155 155 LEU HA H 154 4.654 4.563 0.091 1
1 1666 . 1 1 1 A 155 155 LEU CA C 154 54.179 53.148 1.031 1
1 1667 . 1 1 1 A 155 155 LEU CB C 154 43.178 42.418 0.760 1
1 1671 . 1 1 1 A 155 155 LEU N N 154 123.152 124.405 -1.253 1
1 1672 . 1 1 1 A 156 156 PHE H H 155 9.292 9.096 0.196 1
1 1673 . 1 1 1 A 156 156 PHE HA H 155 5.175 5.245 -0.070 1
1 1681 . 1 1 1 A 156 156 PHE CA C 155 56.409 56.839 -0.430 1
1 1682 . 1 1 1 A 156 156 PHE CB C 155 43.001 41.908 1.093 1
1 1688 . 1 1 1 A 156 156 PHE N N 155 119.900 124.109 -4.209 1
1 1689 . 1 1 1 A 157 157 LYS H H 156 9.195 8.877 0.318 1
1 1690 . 1 1 1 A 157 157 LYS HA H 156 4.966 5.238 -0.272 1
1 1698 . 1 1 1 A 157 157 LYS CA C 156 55.200 54.858 0.342 1
1 1699 . 1 1 1 A 157 157 LYS CB C 156 35.002 36.026 -1.024 1
1 1703 . 1 1 1 A 157 157 LYS N N 156 118.435 120.146 -1.711 1
1 1704 . 1 1 1 A 158 158 LEU H H 157 8.769 9.095 -0.326 1
1 1705 . 1 1 1 A 158 158 LEU HA H 157 5.356 5.317 0.039 1
1 1715 . 1 1 1 A 158 158 LEU CA C 157 53.173 53.536 -0.363 1
1 1716 . 1 1 1 A 158 158 LEU CB C 157 44.220 44.584 -0.364 1
1 1720 . 1 1 1 A 158 158 LEU N N 157 122.607 124.482 -1.875 1
1 1721 . 1 1 1 A 159 159 SER H H 158 8.462 9.128 -0.666 1
1 1722 . 1 1 1 A 159 159 SER HA H 158 4.854 5.455 -0.601 1
1 1724 . 1 1 1 A 159 159 SER CA C 158 57.305 56.759 0.546 1
1 1725 . 1 1 1 A 159 159 SER CB C 158 64.330 64.811 -0.481 1
1 1726 . 1 1 1 A 159 159 SER N N 158 116.051 118.797 -2.746 1
1 1727 . 1 1 1 A 160 160 GLU H H 159 9.008 9.090 -0.082 1
1 1728 . 1 1 1 A 160 160 GLU HA H 159 4.606 4.670 -0.064 1
1 1732 . 1 1 1 A 160 160 GLU CA C 159 56.956 55.678 1.278 1
1 1733 . 1 1 1 A 160 160 GLU CB C 159 30.452 28.582 1.870 1
1 1735 . 1 1 1 A 160 160 GLU N N 159 124.532 125.936 -1.404 1
1 1 . 2 1 1 A 4 4 ILE H H 3 8.198 7.657 0.541 1
1 2 . 2 1 1 A 4 4 ILE HA H 3 4.246 4.129 0.117 1
1 12 . 2 1 1 A 4 4 ILE CA C 3 61.002 62.382 -1.380 1
1 13 . 2 1 1 A 4 4 ILE CB C 3 38.400 39.535 -1.135 1
1 17 . 2 1 1 A 4 4 ILE N N 3 121.904 117.950 3.954 1
1 18 . 2 1 1 A 5 5 THR H H 4 8.045 7.811 0.234 1
1 19 . 2 1 1 A 5 5 THR HA H 4 4.328 4.451 -0.123 1
1 24 . 2 1 1 A 5 5 THR CA C 4 61.754 60.972 0.782 1
1 25 . 2 1 1 A 5 5 THR CB C 4 69.755 69.694 0.061 1
1 27 . 2 1 1 A 5 5 THR N N 4 117.078 112.276 4.802 1
1 28 . 2 1 1 A 6 6 GLY H H 5 8.294 8.376 -0.082 1
1 29 . 2 1 1 A 6 6 GLY HA2 H 5 3.978 3.889 0.089 1
1 30 . 2 1 1 A 6 6 GLY HA3 H 5 4.040 3.893 0.147 1
1 31 . 2 1 1 A 6 6 GLY CA C 5 45.204 46.438 -1.234 1
1 32 . 2 1 1 A 6 6 GLY N N 5 110.823 115.356 -4.533 1
1 33 . 2 1 1 A 7 7 ILE H H 6 7.850 7.774 0.076 1
1 34 . 2 1 1 A 7 7 ILE HA H 6 4.507 4.320 0.187 1
1 44 . 2 1 1 A 7 7 ILE CA C 6 61.058 60.909 0.149 1
1 45 . 2 1 1 A 7 7 ILE CB C 6 39.405 39.173 0.232 1
1 49 . 2 1 1 A 7 7 ILE N N 6 117.894 120.257 -2.363 1
1 50 . 2 1 1 A 8 8 SER H H 7 8.484 8.892 -0.408 1
1 51 . 2 1 1 A 8 8 SER HA H 7 5.138 5.216 -0.078 1
1 54 . 2 1 1 A 8 8 SER CA C 7 55.586 55.270 0.316 1
1 55 . 2 1 1 A 8 8 SER CB C 7 63.867 65.140 -1.273 1
1 56 . 2 1 1 A 8 8 SER N N 7 119.581 118.235 1.346 1
1 57 . 2 1 1 A 9 9 PRO HA H 8 4.070 3.971 0.099 1
1 64 . 2 1 1 A 9 9 PRO CA C 8 62.783 62.813 -0.030 1
1 65 . 2 1 1 A 9 9 PRO CB C 8 32.390 31.800 0.590 1
1 68 . 2 1 1 A 10 10 ILE H H 9 8.916 8.664 0.252 1
1 69 . 2 1 1 A 10 10 ILE HA H 9 4.231 4.161 0.070 1
1 79 . 2 1 1 A 10 10 ILE CA C 9 62.297 62.925 -0.628 1
1 80 . 2 1 1 A 10 10 ILE CB C 9 39.145 38.888 0.257 1
1 84 . 2 1 1 A 10 10 ILE N N 9 119.667 119.033 0.634 1
1 85 . 2 1 1 A 11 11 THR H H 10 7.263 7.429 -0.166 1
1 86 . 2 1 1 A 11 11 THR HA H 10 4.577 4.581 -0.004 1
1 91 . 2 1 1 A 11 11 THR CA C 10 60.889 61.448 -0.559 1
1 92 . 2 1 1 A 11 11 THR CB C 10 69.698 71.326 -1.628 1
1 94 . 2 1 1 A 11 11 THR N N 10 112.847 112.584 0.263 1
1 95 . 2 1 1 A 12 12 GLU H H 11 8.157 8.836 -0.679 1
1 96 . 2 1 1 A 12 12 GLU HA H 11 5.689 5.165 0.524 1
1 100 . 2 1 1 A 12 12 GLU CA C 11 54.700 55.031 -0.331 1
1 101 . 2 1 1 A 12 12 GLU CB C 11 33.384 33.140 0.244 1
1 103 . 2 1 1 A 12 12 GLU N N 11 122.192 126.189 -3.997 1
1 104 . 2 1 1 A 13 13 TYR H H 12 8.917 8.658 0.259 1
1 105 . 2 1 1 A 13 13 TYR HA H 12 4.919 5.179 -0.260 1
1 112 . 2 1 1 A 13 13 TYR CA C 12 56.453 55.871 0.582 1
1 113 . 2 1 1 A 13 13 TYR CB C 12 40.158 40.886 -0.728 1
1 118 . 2 1 1 A 13 13 TYR N N 12 119.678 119.651 0.027 1
1 119 . 2 1 1 A 14 14 LEU H H 13 8.420 8.709 -0.289 1
1 120 . 2 1 1 A 14 14 LEU HA H 13 5.201 4.997 0.204 1
1 130 . 2 1 1 A 14 14 LEU CA C 13 53.778 54.103 -0.325 1
1 131 . 2 1 1 A 14 14 LEU CB C 13 43.570 43.402 0.168 1
1 135 . 2 1 1 A 14 14 LEU N N 13 121.655 121.170 0.485 1
1 136 . 2 1 1 A 15 15 ALA H H 14 9.227 8.819 0.408 1
1 137 . 2 1 1 A 15 15 ALA HA H 14 4.979 5.047 -0.068 1
1 141 . 2 1 1 A 15 15 ALA CA C 14 50.832 51.657 -0.825 1
1 142 . 2 1 1 A 15 15 ALA CB C 14 23.479 23.261 0.218 1
1 143 . 2 1 1 A 15 15 ALA N N 14 124.927 125.357 -0.430 1
1 144 . 2 1 1 A 16 16 SER H H 15 9.006 8.881 0.125 1
1 145 . 2 1 1 A 16 16 SER HA H 15 5.044 5.072 -0.028 1
1 148 . 2 1 1 A 16 16 SER CA C 15 57.379 56.568 0.811 1
1 149 . 2 1 1 A 16 16 SER CB C 15 64.811 64.331 0.480 1
1 150 . 2 1 1 A 16 16 SER N N 15 115.217 117.407 -2.190 1
1 151 . 2 1 1 A 17 17 LEU H H 16 9.299 8.785 0.514 1
1 152 . 2 1 1 A 17 17 LEU HA H 16 5.350 4.579 0.771 1
1 162 . 2 1 1 A 17 17 LEU CA C 16 54.150 55.158 -1.008 1
1 163 . 2 1 1 A 17 17 LEU CB C 16 45.483 42.230 3.253 1
1 167 . 2 1 1 A 17 17 LEU N N 16 125.526 126.763 -1.237 1
1 168 . 2 1 1 A 18 18 SER H H 17 9.032 9.248 -0.216 1
1 169 . 2 1 1 A 18 18 SER HA H 17 5.707 5.316 0.391 1
1 172 . 2 1 1 A 18 18 SER CA C 17 56.078 57.334 -1.256 1
1 173 . 2 1 1 A 18 18 SER CB C 17 66.504 65.057 1.447 1
1 174 . 2 1 1 A 18 18 SER N N 17 118.219 122.839 -4.620 1
1 175 . 2 1 1 A 19 19 THR H H 18 9.122 8.984 0.138 1
1 176 . 2 1 1 A 19 19 THR HA H 18 4.651 4.535 0.116 1
1 182 . 2 1 1 A 19 19 THR CA C 18 60.871 61.401 -0.530 1
1 183 . 2 1 1 A 19 19 THR CB C 18 71.214 70.742 0.472 1
1 185 . 2 1 1 A 19 19 THR N N 18 110.542 117.790 -7.248 1
1 186 . 2 1 1 A 20 20 TYR H H 19 7.890 9.136 -1.246 1
1 187 . 2 1 1 A 20 20 TYR HA H 19 3.895 4.170 -0.275 1
1 194 . 2 1 1 A 20 20 TYR CA C 19 61.228 60.325 0.903 1
1 195 . 2 1 1 A 20 20 TYR CB C 19 39.123 38.934 0.189 1
1 200 . 2 1 1 A 20 20 TYR N N 19 119.460 123.138 -3.678 1
1 201 . 2 1 1 A 21 21 ASN H H 20 7.312 7.928 -0.616 1
1 202 . 2 1 1 A 21 21 ASN HA H 20 4.663 4.802 -0.139 1
1 205 . 2 1 1 A 21 21 ASN CA C 20 52.035 52.957 -0.922 1
1 206 . 2 1 1 A 21 21 ASN CB C 20 37.228 38.490 -1.262 1
1 207 . 2 1 1 A 21 21 ASN N N 20 112.235 116.057 -3.822 1
1 208 . 2 1 1 A 22 22 ASP H H 21 7.919 7.737 0.182 1
1 209 . 2 1 1 A 22 22 ASP HA H 21 4.210 4.134 0.076 1
1 212 . 2 1 1 A 22 22 ASP CA C 21 56.289 55.507 0.782 1
1 213 . 2 1 1 A 22 22 ASP CB C 21 38.389 39.828 -1.439 1
1 214 . 2 1 1 A 22 22 ASP N N 21 113.136 117.866 -4.730 1
1 215 . 2 1 1 A 23 23 GLN H H 22 7.621 7.649 -0.028 1
1 216 . 2 1 1 A 23 23 GLN HA H 22 4.576 4.834 -0.258 1
1 221 . 2 1 1 A 23 23 GLN CA C 22 55.474 54.264 1.210 1
1 222 . 2 1 1 A 23 23 GLN CB C 22 29.609 31.174 -1.565 1
1 224 . 2 1 1 A 23 23 GLN N N 22 115.930 118.618 -2.688 1
1 225 . 2 1 1 A 24 24 SER H H 23 8.847 8.789 0.058 1
1 226 . 2 1 1 A 24 24 SER HA H 23 4.699 5.072 -0.373 1
1 229 . 2 1 1 A 24 24 SER CA C 23 59.518 57.695 1.823 1
1 230 . 2 1 1 A 24 24 SER CB C 23 64.710 65.162 -0.452 1
1 231 . 2 1 1 A 24 24 SER N N 23 118.760 118.318 0.442 1
1 232 . 2 1 1 A 25 25 ILE H H 24 7.851 8.662 -0.811 1
1 233 . 2 1 1 A 25 25 ILE HA H 24 4.685 4.525 0.160 1
1 243 . 2 1 1 A 25 25 ILE CA C 24 59.480 60.867 -1.387 1
1 244 . 2 1 1 A 25 25 ILE CB C 24 36.204 37.925 -1.721 1
1 248 . 2 1 1 A 25 25 ILE N N 24 122.951 123.565 -0.614 1
1 249 . 2 1 1 A 26 26 THR H H 25 8.865 8.876 -0.011 1
1 250 . 2 1 1 A 26 26 THR HA H 25 4.615 4.990 -0.375 1
1 255 . 2 1 1 A 26 26 THR CA C 25 59.720 61.249 -1.529 1
1 256 . 2 1 1 A 26 26 THR CB C 25 70.755 71.066 -0.311 1
1 258 . 2 1 1 A 26 26 THR N N 25 123.404 123.362 0.042 1
1 259 . 2 1 1 A 27 27 PHE H H 26 8.614 9.197 -0.583 1
1 260 . 2 1 1 A 27 27 PHE HA H 26 4.986 5.056 -0.070 1
1 268 . 2 1 1 A 27 27 PHE CA C 26 55.673 56.451 -0.778 1
1 269 . 2 1 1 A 27 27 PHE CB C 26 40.422 39.406 1.016 1
1 275 . 2 1 1 A 27 27 PHE N N 26 120.710 125.608 -4.898 1
1 276 . 2 1 1 A 28 28 ALA H H 27 8.989 8.572 0.417 1
1 277 . 2 1 1 A 28 28 ALA HA H 27 4.719 4.626 0.093 1
1 281 . 2 1 1 A 28 28 ALA CA C 27 51.105 51.120 -0.015 1
1 282 . 2 1 1 A 28 28 ALA CB C 27 20.169 19.678 0.491 1
1 283 . 2 1 1 A 28 28 ALA N N 27 127.571 128.027 -0.456 1
1 284 . 2 1 1 A 29 29 LEU H H 28 8.302 8.767 -0.465 1
1 285 . 2 1 1 A 29 29 LEU HA H 28 4.388 4.784 -0.396 1
1 295 . 2 1 1 A 29 29 LEU CA C 28 54.689 53.492 1.197 1
1 296 . 2 1 1 A 29 29 LEU CB C 28 42.072 42.683 -0.611 1
1 300 . 2 1 1 A 29 29 LEU N N 28 123.967 124.317 -0.350 1
1 301 . 2 1 1 A 30 30 GLU H H 29 8.426 8.771 -0.345 1
1 302 . 2 1 1 A 30 30 GLU HA H 29 4.383 4.500 -0.117 1
1 306 . 2 1 1 A 30 30 GLU CA C 29 55.674 55.411 0.263 1
1 307 . 2 1 1 A 30 30 GLU CB C 29 30.616 30.932 -0.316 1
1 309 . 2 1 1 A 30 30 GLU N N 29 123.800 123.804 -0.004 1
1 310 . 2 1 1 A 31 31 ASP H H 30 8.504 8.873 -0.369 1
1 311 . 2 1 1 A 31 31 ASP HA H 30 4.359 4.271 0.088 1
1 314 . 2 1 1 A 31 31 ASP CA C 30 55.650 57.044 -1.394 1
1 315 . 2 1 1 A 31 31 ASP CB C 30 39.912 40.739 -0.827 1
1 316 . 2 1 1 A 31 31 ASP N N 30 121.263 122.807 -1.544 1
1 317 . 2 1 1 A 32 32 GLU H H 31 8.235 8.021 0.214 1
1 318 . 2 1 1 A 32 32 GLU HA H 31 4.039 4.382 -0.343 1
1 323 . 2 1 1 A 32 32 GLU CA C 31 56.572 55.849 0.723 1
1 324 . 2 1 1 A 32 32 GLU CB C 31 29.099 31.295 -2.196 1
1 326 . 2 1 1 A 32 32 GLU N N 31 115.284 113.589 1.695 1
1 327 . 2 1 1 A 33 33 SER H H 32 7.854 7.431 0.423 1
1 328 . 2 1 1 A 33 33 SER HA H 32 4.556 4.900 -0.344 1
1 330 . 2 1 1 A 33 33 SER CA C 32 57.848 57.076 0.772 1
1 331 . 2 1 1 A 33 33 SER CB C 32 64.080 65.601 -1.521 1
1 332 . 2 1 1 A 33 33 SER N N 32 114.403 115.368 -0.965 1
1 333 . 2 1 1 A 34 34 TYR H H 33 8.117 9.021 -0.904 1
1 334 . 2 1 1 A 34 34 TYR HA H 33 4.995 4.981 0.014 1
1 341 . 2 1 1 A 34 34 TYR CA C 33 56.928 56.640 0.288 1
1 342 . 2 1 1 A 34 34 TYR CB C 33 39.116 40.020 -0.904 1
1 347 . 2 1 1 A 34 34 TYR N N 33 119.987 121.131 -1.144 1
1 348 . 2 1 1 A 35 35 GLU H H 34 8.466 8.665 -0.199 1
1 349 . 2 1 1 A 35 35 GLU HA H 34 4.574 5.169 -0.595 1
1 352 . 2 1 1 A 35 35 GLU CA C 34 55.417 54.991 0.426 1
1 353 . 2 1 1 A 35 35 GLU CB C 34 33.071 32.828 0.243 1
1 355 . 2 1 1 A 35 35 GLU N N 34 120.614 124.223 -3.609 1
1 356 . 2 1 1 A 36 36 ILE H H 35 8.485 8.423 0.062 1
1 357 . 2 1 1 A 36 36 ILE HA H 35 4.713 4.668 0.045 1
1 367 . 2 1 1 A 36 36 ILE CA C 35 60.138 60.172 -0.034 1
1 368 . 2 1 1 A 36 36 ILE CB C 35 39.383 40.401 -1.018 1
1 372 . 2 1 1 A 36 36 ILE N N 35 121.673 123.537 -1.864 1
1 373 . 2 1 1 A 37 37 TYR H H 36 8.725 8.598 0.127 1
1 374 . 2 1 1 A 37 37 TYR HA H 36 5.148 5.522 -0.374 1
1 380 . 2 1 1 A 37 37 TYR CA C 36 55.698 55.975 -0.277 1
1 381 . 2 1 1 A 37 37 TYR CB C 36 40.866 43.164 -2.298 1
1 386 . 2 1 1 A 37 37 TYR N N 36 125.169 125.668 -0.499 1
1 387 . 2 1 1 A 38 38 VAL H H 37 7.859 8.647 -0.788 1
1 388 . 2 1 1 A 38 38 VAL HA H 37 4.636 4.641 -0.005 1
1 396 . 2 1 1 A 38 38 VAL CA C 37 60.937 61.567 -0.630 1
1 397 . 2 1 1 A 38 38 VAL CB C 37 32.382 33.838 -1.456 1
1 400 . 2 1 1 A 38 38 VAL N N 37 120.727 120.273 0.454 1
1 401 . 2 1 1 A 39 39 GLU H H 38 8.885 8.727 0.158 1
1 402 . 2 1 1 A 39 39 GLU HA H 38 4.690 4.833 -0.143 1
1 407 . 2 1 1 A 39 39 GLU CA C 38 55.174 55.462 -0.288 1
1 408 . 2 1 1 A 39 39 GLU CB C 38 33.421 31.775 1.646 1
1 410 . 2 1 1 A 39 39 GLU N N 38 124.823 127.354 -2.531 1
1 411 . 2 1 1 A 40 40 ASP H H 39 8.646 8.690 -0.044 1
1 412 . 2 1 1 A 40 40 ASP HA H 39 4.721 5.262 -0.541 1
1 415 . 2 1 1 A 40 40 ASP CA C 39 54.340 52.817 1.523 1
1 416 . 2 1 1 A 40 40 ASP CB C 39 40.839 43.562 -2.723 1
1 417 . 2 1 1 A 40 40 ASP N N 39 122.400 123.205 -0.805 1
1 418 . 2 1 1 A 41 41 LEU H H 40 8.133 8.994 -0.861 1
1 419 . 2 1 1 A 41 41 LEU HA H 40 4.430 4.403 0.027 1
1 429 . 2 1 1 A 41 41 LEU CA C 40 54.553 54.721 -0.168 1
1 430 . 2 1 1 A 41 41 LEU CB C 40 42.942 41.593 1.349 1
1 434 . 2 1 1 A 41 41 LEU N N 40 122.394 125.492 -3.098 1
1 435 . 2 1 1 A 42 42 LYS H H 41 8.659 8.892 -0.233 1
1 436 . 2 1 1 A 42 42 LYS HA H 41 4.357 4.381 -0.024 1
1 442 . 2 1 1 A 42 42 LYS CA C 41 55.924 57.548 -1.624 1
1 443 . 2 1 1 A 42 42 LYS CB C 41 32.421 32.741 -0.320 1
1 447 . 2 1 1 A 42 42 LYS N N 41 122.920 124.745 -1.825 1
1 448 . 2 1 1 A 43 43 LYS H H 42 8.371 8.115 0.256 1
1 449 . 2 1 1 A 43 43 LYS HA H 42 4.223 4.410 -0.187 1
1 455 . 2 1 1 A 43 43 LYS CA C 42 56.924 57.505 -0.581 1
1 456 . 2 1 1 A 43 43 LYS CB C 42 32.671 33.519 -0.848 1
1 460 . 2 1 1 A 43 43 LYS N N 42 121.924 115.548 6.376 1
1 461 . 2 1 1 A 44 44 ASP H H 43 8.355 7.976 0.379 1
1 462 . 2 1 1 A 44 44 ASP HA H 43 4.556 4.878 -0.322 1
1 464 . 2 1 1 A 44 44 ASP CA C 43 54.243 53.153 1.090 1
1 465 . 2 1 1 A 44 44 ASP CB C 43 40.582 41.498 -0.916 1
1 466 . 2 1 1 A 44 44 ASP N N 43 118.485 116.406 2.079 1
1 467 . 2 1 1 A 45 45 GLU H H 44 8.011 8.380 -0.369 1
1 468 . 2 1 1 A 45 45 GLU HA H 44 4.313 4.406 -0.093 1
1 473 . 2 1 1 A 45 45 GLU CA C 44 56.362 56.558 -0.196 1
1 474 . 2 1 1 A 45 45 GLU CB C 44 30.265 30.176 0.089 1
1 476 . 2 1 1 A 45 45 GLU N N 44 119.516 120.822 -1.306 1
1 477 . 2 1 1 A 46 46 LYS H H 45 8.304 8.511 -0.207 1
1 478 . 2 1 1 A 46 46 LYS HA H 45 4.307 4.523 -0.216 1
1 485 . 2 1 1 A 46 46 LYS CA C 45 56.424 56.185 0.239 1
1 486 . 2 1 1 A 46 46 LYS CB C 45 32.421 32.992 -0.571 1
1 490 . 2 1 1 A 46 46 LYS N N 45 121.875 122.893 -1.018 1
1 491 . 2 1 1 A 47 47 LYS H H 46 8.280 8.763 -0.483 1
1 492 . 2 1 1 A 47 47 LYS HA H 46 4.469 4.663 -0.194 1
1 498 . 2 1 1 A 47 47 LYS CA C 46 55.514 54.867 0.647 1
1 499 . 2 1 1 A 47 47 LYS CB C 46 33.264 33.952 -0.688 1
1 503 . 2 1 1 A 47 47 LYS N N 46 122.374 125.301 -2.927 1
1 504 . 2 1 1 A 48 48 ASP H H 47 8.778 8.779 -0.001 1
1 505 . 2 1 1 A 48 48 ASP HA H 47 4.811 5.403 -0.592 1
1 507 . 2 1 1 A 48 48 ASP CA C 47 54.357 52.815 1.542 1
1 508 . 2 1 1 A 48 48 ASP CB C 47 41.842 44.383 -2.541 1
1 509 . 2 1 1 A 48 48 ASP N N 47 122.211 121.454 0.757 1
1 510 . 2 1 1 A 49 49 LYS H H 48 8.388 8.681 -0.293 1
1 511 . 2 1 1 A 49 49 LYS HA H 48 4.593 4.728 -0.135 1
1 519 . 2 1 1 A 49 49 LYS CA C 48 55.134 56.022 -0.888 1
1 520 . 2 1 1 A 49 49 LYS CB C 48 34.993 33.928 1.065 1
1 524 . 2 1 1 A 49 49 LYS N N 48 120.889 125.862 -4.973 1
1 525 . 2 1 1 A 50 50 VAL H H 49 9.063 8.649 0.414 1
1 526 . 2 1 1 A 50 50 VAL HA H 49 4.097 4.636 -0.539 1
1 534 . 2 1 1 A 50 50 VAL CA C 49 59.275 60.580 -1.305 1
1 535 . 2 1 1 A 50 50 VAL CB C 49 33.958 34.574 -0.616 1
1 538 . 2 1 1 A 50 50 VAL N N 49 118.350 121.649 -3.299 1
1 539 . 2 1 1 A 51 51 LEU H H 50 8.238 8.851 -0.613 1
1 540 . 2 1 1 A 51 51 LEU HA H 50 4.561 4.430 0.131 1
1 550 . 2 1 1 A 51 51 LEU CA C 50 54.877 55.040 -0.163 1
1 551 . 2 1 1 A 51 51 LEU CB C 50 42.481 42.289 0.192 1
1 555 . 2 1 1 A 51 51 LEU N N 50 125.236 130.519 -5.283 1
1 556 . 2 1 1 A 52 52 LEU H H 51 9.286 8.813 0.473 1
1 557 . 2 1 1 A 52 52 LEU HA H 51 5.190 5.296 -0.106 1
1 567 . 2 1 1 A 52 52 LEU CA C 51 54.228 53.051 1.177 1
1 568 . 2 1 1 A 52 52 LEU CB C 51 42.961 43.098 -0.137 1
1 572 . 2 1 1 A 52 52 LEU N N 51 134.513 130.260 4.253 1
1 573 . 2 1 1 A 53 53 SER H H 52 7.992 8.813 -0.821 1
1 574 . 2 1 1 A 53 53 SER HA H 52 5.233 5.378 -0.145 1
1 577 . 2 1 1 A 53 53 SER CA C 52 56.869 56.824 0.045 1
1 578 . 2 1 1 A 53 53 SER CB C 52 62.776 66.046 -3.270 1
1 579 . 2 1 1 A 53 53 SER N N 52 117.641 121.698 -4.057 1
1 580 . 2 1 1 A 54 54 TYR H H 53 8.703 8.828 -0.125 1
1 581 . 2 1 1 A 54 54 TYR HA H 53 5.611 5.618 -0.007 1
1 588 . 2 1 1 A 54 54 TYR CA C 53 56.264 57.257 -0.993 1
1 589 . 2 1 1 A 54 54 TYR CB C 53 40.455 41.355 -0.900 1
1 594 . 2 1 1 A 54 54 TYR N N 53 122.503 123.355 -0.852 1
1 595 . 2 1 1 A 55 55 TYR H H 54 9.813 9.252 0.561 1
1 596 . 2 1 1 A 55 55 TYR HA H 54 4.983 5.117 -0.134 1
1 603 . 2 1 1 A 55 55 TYR CA C 54 56.465 56.510 -0.045 1
1 604 . 2 1 1 A 55 55 TYR CB C 54 41.898 42.919 -1.021 1
1 609 . 2 1 1 A 55 55 TYR N N 54 120.204 120.046 0.158 1
1 610 . 2 1 1 A 56 56 GLU H H 55 8.804 8.981 -0.177 1
1 611 . 2 1 1 A 56 56 GLU HA H 55 4.913 5.174 -0.261 1
1 616 . 2 1 1 A 56 56 GLU CA C 55 55.700 55.190 0.510 1
1 617 . 2 1 1 A 56 56 GLU CB C 55 31.684 31.718 -0.034 1
1 619 . 2 1 1 A 56 56 GLU N N 55 120.472 120.572 -0.100 1
1 620 . 2 1 1 A 57 57 SER H H 56 8.580 8.899 -0.319 1
1 621 . 2 1 1 A 57 57 SER HA H 56 4.619 4.623 -0.004 1
1 624 . 2 1 1 A 57 57 SER CA C 56 57.332 57.608 -0.276 1
1 625 . 2 1 1 A 57 57 SER CB C 56 64.338 64.285 0.053 1
1 626 . 2 1 1 A 57 57 SER N N 56 117.342 119.043 -1.701 1
1 627 . 2 1 1 A 58 58 GLN H H 57 8.426 8.650 -0.224 1
1 628 . 2 1 1 A 58 58 GLN HA H 57 4.482 4.904 -0.422 1
1 632 . 2 1 1 A 58 58 GLN CA C 57 55.364 54.263 1.101 1
1 633 . 2 1 1 A 58 58 GLN CB C 57 29.603 30.367 -0.764 1
1 635 . 2 1 1 A 58 58 GLN N N 57 121.444 124.016 -2.572 1
1 636 . 2 1 1 A 59 59 HIS H H 58 8.481 9.109 -0.628 1
1 637 . 2 1 1 A 59 59 HIS HA H 58 4.862 4.903 -0.041 1
1 641 . 2 1 1 A 59 59 HIS CA C 58 54.055 53.900 0.155 1
1 642 . 2 1 1 A 59 59 HIS CB C 58 30.237 30.804 -0.567 1
1 643 . 2 1 1 A 59 59 HIS N N 58 122.199 125.434 -3.235 1
1 644 . 2 1 1 A 60 60 PRO HA H 59 4.506 4.348 0.158 1
1 650 . 2 1 1 A 60 60 PRO CA C 59 63.254 63.101 0.153 1
1 651 . 2 1 1 A 60 60 PRO CB C 59 31.829 32.205 -0.376 1
1 654 . 2 1 1 A 62 62 ASN H H 61 8.465 8.874 -0.409 1
1 655 . 2 1 1 A 62 62 ASN HA H 61 4.769 5.338 -0.569 1
1 657 . 2 1 1 A 62 62 ASN CA C 61 53.310 51.663 1.647 1
1 658 . 2 1 1 A 62 62 ASN CB C 61 38.545 41.722 -3.177 1
1 659 . 2 1 1 A 62 62 ASN N N 61 120.049 126.976 -6.927 1
1 660 . 2 1 1 A 63 63 GLU H H 62 8.369 8.750 -0.381 1
1 661 . 2 1 1 A 63 63 GLU HA H 62 4.348 4.102 0.246 1
1 666 . 2 1 1 A 63 63 GLU CA C 62 56.828 57.280 -0.452 1
1 667 . 2 1 1 A 63 63 GLU CB C 62 30.044 29.664 0.380 1
1 669 . 2 1 1 A 63 63 GLU N N 62 120.260 123.903 -3.643 1
1 670 . 2 1 1 A 64 64 SER H H 63 8.254 8.877 -0.623 1
1 671 . 2 1 1 A 64 64 SER HA H 63 4.494 4.339 0.155 1
1 674 . 2 1 1 A 64 64 SER CA C 63 58.213 60.436 -2.223 1
1 675 . 2 1 1 A 64 64 SER CB C 63 63.799 61.950 1.849 1
1 676 . 2 1 1 A 64 64 SER N N 63 115.291 118.157 -2.866 1
1 677 . 2 1 1 A 65 65 GLY H H 64 8.294 8.763 -0.469 1
1 678 . 2 1 1 A 65 65 GLY HA2 H 64 4.001 3.976 0.025 1
1 679 . 2 1 1 A 65 65 GLY CA C 64 45.306 45.301 0.005 1
1 680 . 2 1 1 A 65 65 GLY N N 64 110.364 112.270 -1.906 1
1 681 . 2 1 1 A 66 66 ASP H H 65 8.227 8.286 -0.059 1
1 682 . 2 1 1 A 66 66 ASP HA H 65 4.664 4.332 0.332 1
1 684 . 2 1 1 A 66 66 ASP CA C 65 54.180 54.705 -0.525 1
1 685 . 2 1 1 A 66 66 ASP CB C 65 41.160 39.347 1.813 1
1 686 . 2 1 1 A 66 66 ASP N N 65 119.894 120.007 -0.113 1
1 687 . 2 1 1 A 67 67 GLY H H 66 8.379 8.234 0.145 1
1 688 . 2 1 1 A 67 67 GLY HA2 H 66 3.997 3.982 0.015 1
1 689 . 2 1 1 A 67 67 GLY CA C 66 45.216 44.489 0.727 1
1 690 . 2 1 1 A 67 67 GLY N N 66 108.939 112.638 -3.699 1
1 691 . 2 1 1 A 68 68 VAL H H 67 8.008 7.824 0.184 1
1 692 . 2 1 1 A 68 68 VAL HA H 67 4.164 4.456 -0.292 1
1 700 . 2 1 1 A 68 68 VAL CA C 67 62.133 60.311 1.822 1
1 701 . 2 1 1 A 68 68 VAL CB C 67 32.509 31.459 1.050 1
1 704 . 2 1 1 A 68 68 VAL N N 67 118.651 121.818 -3.167 1
1 705 . 2 1 1 A 69 69 ASP H H 68 8.441 8.271 0.170 1
1 706 . 2 1 1 A 69 69 ASP HA H 68 4.664 4.345 0.319 1
1 709 . 2 1 1 A 69 69 ASP CA C 68 54.211 55.530 -1.319 1
1 710 . 2 1 1 A 69 69 ASP CB C 68 40.995 39.605 1.390 1
1 711 . 2 1 1 A 69 69 ASP N N 68 122.953 117.532 5.421 1
1 712 . 2 1 1 A 70 70 GLY H H 69 8.231 8.348 -0.117 1
1 713 . 2 1 1 A 70 70 GLY HA2 H 69 3.980 4.141 -0.161 1
1 714 . 2 1 1 A 70 70 GLY CA C 69 45.347 44.517 0.830 1
1 715 . 2 1 1 A 70 70 GLY N N 69 108.501 104.202 4.299 1
1 716 . 2 1 1 A 71 71 LYS H H 70 8.097 8.474 -0.377 1
1 717 . 2 1 1 A 71 71 LYS HA H 70 4.552 4.228 0.324 1
1 725 . 2 1 1 A 71 71 LYS CA C 70 55.514 56.695 -1.181 1
1 726 . 2 1 1 A 71 71 LYS CB C 70 33.267 33.090 0.177 1
1 730 . 2 1 1 A 71 71 LYS N N 70 120.089 121.847 -1.758 1
1 731 . 2 1 1 A 72 72 MET H H 71 8.485 8.454 0.031 1
1 732 . 2 1 1 A 72 72 MET HA H 71 4.622 4.601 0.021 1
1 740 . 2 1 1 A 72 72 MET CA C 71 54.810 55.068 -0.258 1
1 741 . 2 1 1 A 72 72 MET CB C 71 34.060 33.287 0.773 1
1 744 . 2 1 1 A 72 72 MET N N 71 121.815 121.279 0.536 1
1 745 . 2 1 1 A 73 73 LEU H H 72 8.792 8.869 -0.077 1
1 746 . 2 1 1 A 73 73 LEU HA H 72 5.140 5.023 0.117 1
1 756 . 2 1 1 A 73 73 LEU CA C 72 53.671 53.820 -0.149 1
1 757 . 2 1 1 A 73 73 LEU CB C 72 44.258 43.939 0.319 1
1 761 . 2 1 1 A 73 73 LEU N N 72 124.871 125.522 -0.651 1
1 762 . 2 1 1 A 74 74 MET H H 73 9.089 9.046 0.043 1
1 763 . 2 1 1 A 74 74 MET HA H 73 5.741 5.599 0.142 1
1 770 . 2 1 1 A 74 74 MET CA C 73 53.328 54.387 -1.059 1
1 771 . 2 1 1 A 74 74 MET CB C 73 36.526 34.986 1.540 1
1 774 . 2 1 1 A 74 74 MET N N 73 119.200 122.685 -3.485 1
1 775 . 2 1 1 A 75 75 VAL H H 74 10.046 9.026 1.020 1
1 776 . 2 1 1 A 75 75 VAL HA H 74 6.298 5.184 1.114 1
1 784 . 2 1 1 A 75 75 VAL CA C 74 58.377 60.038 -1.661 1
1 785 . 2 1 1 A 75 75 VAL CB C 74 36.528 35.684 0.844 1
1 788 . 2 1 1 A 75 75 VAL N N 74 116.505 119.743 -3.238 1
1 789 . 2 1 1 A 76 76 THR H H 75 8.519 9.037 -0.518 1
1 790 . 2 1 1 A 76 76 THR HA H 75 4.978 5.278 -0.300 1
1 795 . 2 1 1 A 76 76 THR CA C 75 59.451 60.117 -0.666 1
1 796 . 2 1 1 A 76 76 THR CB C 75 71.755 71.259 0.496 1
1 798 . 2 1 1 A 76 76 THR N N 75 111.166 118.531 -7.365 1
1 799 . 2 1 1 A 77 77 LEU H H 76 10.195 9.157 1.038 1
1 800 . 2 1 1 A 77 77 LEU HA H 76 5.175 5.084 0.091 1
1 810 . 2 1 1 A 77 77 LEU CA C 76 55.214 53.367 1.847 1
1 811 . 2 1 1 A 77 77 LEU CB C 76 45.718 43.596 2.122 1
1 815 . 2 1 1 A 77 77 LEU N N 76 121.235 126.542 -5.307 1
1 816 . 2 1 1 A 78 78 SER H H 77 8.596 8.591 0.005 1
1 817 . 2 1 1 A 78 78 SER HA H 77 5.427 4.735 0.692 1
1 821 . 2 1 1 A 78 78 SER CA C 77 52.060 55.780 -3.720 1
1 822 . 2 1 1 A 78 78 SER CB C 77 63.768 63.665 0.103 1
1 823 . 2 1 1 A 78 78 SER N N 77 116.108 118.453 -2.345 1
1 824 . 2 1 1 A 79 79 PRO HA H 78 4.257 4.287 -0.030 1
1 831 . 2 1 1 A 79 79 PRO CA C 78 62.972 64.211 -1.239 1
1 832 . 2 1 1 A 79 79 PRO CB C 78 31.667 31.667 0.000 1
1 835 . 2 1 1 A 80 80 THR H H 79 6.796 7.106 -0.310 1
1 836 . 2 1 1 A 80 80 THR HA H 79 4.204 4.622 -0.418 1
1 842 . 2 1 1 A 80 80 THR CA C 79 60.016 59.784 0.232 1
1 843 . 2 1 1 A 80 80 THR CB C 79 68.509 70.909 -2.400 1
1 845 . 2 1 1 A 80 80 THR N N 79 110.183 107.088 3.095 1
1 846 . 2 1 1 A 81 81 LYS H H 80 7.638 8.730 -1.092 1
1 847 . 2 1 1 A 81 81 LYS HA H 80 3.744 3.969 -0.225 1
1 853 . 2 1 1 A 81 81 LYS CA C 80 58.578 58.930 -0.352 1
1 854 . 2 1 1 A 81 81 LYS CB C 80 32.325 31.987 0.338 1
1 858 . 2 1 1 A 81 81 LYS N N 80 124.973 120.509 4.464 1
1 859 . 2 1 1 A 82 82 ASP H H 81 8.255 7.824 0.431 1
1 860 . 2 1 1 A 82 82 ASP HA H 81 4.277 3.963 0.314 1
1 863 . 2 1 1 A 82 82 ASP CA C 81 57.378 55.568 1.810 1
1 864 . 2 1 1 A 82 82 ASP CB C 81 39.348 41.082 -1.734 1
1 865 . 2 1 1 A 82 82 ASP N N 81 117.344 116.873 0.471 1
1 866 . 2 1 1 A 83 83 PHE H H 82 7.880 7.396 0.484 1
1 867 . 2 1 1 A 83 83 PHE HA H 82 5.243 4.341 0.902 1
1 875 . 2 1 1 A 83 83 PHE CA C 82 56.927 59.571 -2.644 1
1 876 . 2 1 1 A 83 83 PHE CB C 82 41.679 39.645 2.034 1
1 881 . 2 1 1 A 83 83 PHE N N 82 115.687 118.326 -2.639 1
1 882 . 2 1 1 A 84 84 TRP H H 83 8.718 9.002 -0.284 1
1 883 . 2 1 1 A 84 84 TRP HA H 83 5.445 5.091 0.354 1
1 892 . 2 1 1 A 84 84 TRP CA C 83 57.105 56.146 0.959 1
1 893 . 2 1 1 A 84 84 TRP CB C 83 33.602 32.686 0.916 1
1 898 . 2 1 1 A 84 84 TRP N N 83 119.999 123.424 -3.425 1
1 900 . 2 1 1 A 85 85 LEU H H 84 8.738 8.144 0.594 1
1 901 . 2 1 1 A 85 85 LEU HA H 84 4.802 4.743 0.059 1
1 911 . 2 1 1 A 85 85 LEU CA C 84 56.224 54.922 1.302 1
1 912 . 2 1 1 A 85 85 LEU CB C 84 42.532 42.970 -0.438 1
1 916 . 2 1 1 A 85 85 LEU N N 84 123.889 123.243 0.646 1
1 917 . 2 1 1 A 86 86 HIS H H 85 9.563 9.238 0.325 1
1 918 . 2 1 1 A 86 86 HIS HA H 85 5.027 5.244 -0.217 1
1 923 . 2 1 1 A 86 86 HIS CA C 85 54.704 54.643 0.061 1
1 924 . 2 1 1 A 86 86 HIS CB C 85 33.214 32.762 0.452 1
1 926 . 2 1 1 A 86 86 HIS N N 85 121.782 122.285 -0.503 1
1 927 . 2 1 1 A 87 87 ALA H H 86 8.544 8.477 0.067 1
1 928 . 2 1 1 A 87 87 ALA HA H 86 4.614 4.787 -0.173 1
1 932 . 2 1 1 A 87 87 ALA CA C 86 52.098 51.830 0.268 1
1 933 . 2 1 1 A 87 87 ALA CB C 86 20.690 19.718 0.972 1
1 934 . 2 1 1 A 87 87 ALA N N 86 125.230 127.159 -1.929 1
1 935 . 2 1 1 A 88 88 ASN H H 87 8.846 8.978 -0.132 1
1 936 . 2 1 1 A 88 88 ASN HA H 87 4.862 5.007 -0.145 1
1 939 . 2 1 1 A 88 88 ASN CA C 87 51.444 52.798 -1.354 1
1 940 . 2 1 1 A 88 88 ASN CB C 87 37.171 39.435 -2.264 1
1 941 . 2 1 1 A 88 88 ASN N N 87 121.260 122.194 -0.934 1
1 942 . 2 1 1 A 89 89 ASN H H 88 8.638 9.194 -0.556 1
1 943 . 2 1 1 A 89 89 ASN HA H 88 4.284 4.355 -0.071 1
1 946 . 2 1 1 A 89 89 ASN CA C 88 55.788 54.907 0.881 1
1 947 . 2 1 1 A 89 89 ASN CB C 88 37.818 38.455 -0.637 1
1 948 . 2 1 1 A 89 89 ASN N N 88 121.570 124.999 -3.429 1
1 949 . 2 1 1 A 90 90 LYS H H 89 8.196 7.761 0.435 1
1 950 . 2 1 1 A 90 90 LYS HA H 89 4.101 3.919 0.182 1
1 957 . 2 1 1 A 90 90 LYS CA C 89 58.402 59.844 -1.442 1
1 958 . 2 1 1 A 90 90 LYS CB C 89 32.018 32.251 -0.233 1
1 962 . 2 1 1 A 90 90 LYS N N 89 119.566 118.666 0.900 1
1 963 . 2 1 1 A 91 91 GLU H H 90 6.917 7.994 -1.077 1
1 964 . 2 1 1 A 91 91 GLU HA H 90 4.378 4.533 -0.155 1
1 969 . 2 1 1 A 91 91 GLU CA C 90 54.864 56.224 -1.360 1
1 970 . 2 1 1 A 91 91 GLU CB C 90 29.597 29.849 -0.252 1
1 972 . 2 1 1 A 91 91 GLU N N 90 114.145 116.036 -1.891 1
1 973 . 2 1 1 A 92 92 HIS H H 91 7.738 7.898 -0.160 1
1 974 . 2 1 1 A 92 92 HIS HA H 91 4.181 4.338 -0.157 1
1 978 . 2 1 1 A 92 92 HIS CA C 91 57.189 56.830 0.359 1
1 979 . 2 1 1 A 92 92 HIS CB C 91 26.154 26.721 -0.567 1
1 980 . 2 1 1 A 92 92 HIS N N 91 115.238 116.381 -1.143 1
1 981 . 2 1 1 A 93 93 SER H H 92 8.415 7.357 1.058 1
1 982 . 2 1 1 A 93 93 SER HA H 92 5.185 5.104 0.081 1
1 985 . 2 1 1 A 93 93 SER CA C 92 56.374 57.963 -1.589 1
1 986 . 2 1 1 A 93 93 SER CB C 92 67.005 67.045 -0.040 1
1 987 . 2 1 1 A 93 93 SER N N 92 113.966 113.654 0.312 1
1 988 . 2 1 1 A 94 94 VAL H H 93 8.251 8.844 -0.593 1
1 989 . 2 1 1 A 94 94 VAL HA H 93 4.868 4.900 -0.032 1
1 997 . 2 1 1 A 94 94 VAL CA C 93 60.478 61.808 -1.330 1
1 998 . 2 1 1 A 94 94 VAL CB C 93 33.120 32.482 0.638 1
1 1001 . 2 1 1 A 94 94 VAL N N 93 116.256 123.615 -7.359 1
1 1002 . 2 1 1 A 95 95 GLU H H 94 8.904 9.097 -0.193 1
1 1003 . 2 1 1 A 95 95 GLU HA H 94 4.878 4.930 -0.052 1
1 1008 . 2 1 1 A 95 95 GLU CA C 94 53.455 54.556 -1.101 1
1 1009 . 2 1 1 A 95 95 GLU CB C 94 34.430 33.339 1.091 1
1 1011 . 2 1 1 A 95 95 GLU N N 94 122.142 126.633 -4.491 1
1 1012 . 2 1 1 A 96 96 LEU H H 95 8.237 8.086 0.151 1
1 1013 . 2 1 1 A 96 96 LEU HA H 95 4.974 5.179 -0.205 1
1 1023 . 2 1 1 A 96 96 LEU CA C 95 53.731 54.121 -0.390 1
1 1024 . 2 1 1 A 96 96 LEU CB C 95 43.478 42.955 0.523 1
1 1028 . 2 1 1 A 96 96 LEU N N 95 121.305 122.490 -1.185 1
1 1029 . 2 1 1 A 97 97 HIS H H 96 8.294 9.392 -1.098 1
1 1030 . 2 1 1 A 97 97 HIS HA H 96 4.947 5.119 -0.172 1
1 1034 . 2 1 1 A 97 97 HIS CA C 96 54.144 54.571 -0.427 1
1 1035 . 2 1 1 A 97 97 HIS CB C 96 33.344 33.894 -0.550 1
1 1036 . 2 1 1 A 97 97 HIS N N 96 119.193 121.303 -2.110 1
1 1037 . 2 1 1 A 98 98 LYS H H 97 8.582 9.048 -0.466 1
1 1038 . 2 1 1 A 98 98 LYS HA H 97 4.564 4.779 -0.215 1
1 1046 . 2 1 1 A 98 98 LYS CA C 97 55.190 55.074 0.116 1
1 1047 . 2 1 1 A 98 98 LYS CB C 97 31.941 33.865 -1.924 1
1 1051 . 2 1 1 A 98 98 LYS N N 97 127.478 123.462 4.016 1
1 1052 . 2 1 1 A 99 99 CYS H H 98 8.695 8.962 -0.267 1
1 1053 . 2 1 1 A 99 99 CYS HA H 98 4.822 5.150 -0.328 1
1 1056 . 2 1 1 A 99 99 CYS CA C 98 57.391 57.425 -0.034 1
1 1057 . 2 1 1 A 99 99 CYS CB C 98 30.916 32.138 -1.222 1
1 1058 . 2 1 1 A 99 99 CYS N N 98 122.622 124.911 -2.289 1
1 1059 . 2 1 1 A 100 100 GLU H H 99 8.251 8.708 -0.457 1
1 1060 . 2 1 1 A 100 100 GLU HA H 99 4.513 4.433 0.080 1
1 1064 . 2 1 1 A 100 100 GLU CA C 99 54.674 56.050 -1.376 1
1 1065 . 2 1 1 A 100 100 GLU CB C 99 31.421 30.633 0.788 1
1 1067 . 2 1 1 A 100 100 GLU N N 99 121.252 121.832 -0.580 1
1 1068 . 2 1 1 A 101 101 LYS H H 100 8.195 9.002 -0.807 1
1 1069 . 2 1 1 A 101 101 LYS HA H 100 3.953 4.078 -0.125 1
1 1077 . 2 1 1 A 101 101 LYS CA C 100 55.042 61.388 -6.346 1
1 1078 . 2 1 1 A 101 101 LYS CB C 100 31.473 30.253 1.220 1
1 1082 . 2 1 1 A 101 101 LYS N N 100 118.588 123.877 -5.289 1
1 1083 . 2 1 1 A 102 102 PRO HA H 101 4.447 4.384 0.063 1
1 1090 . 2 1 1 A 102 102 PRO CA C 101 61.513 62.798 -1.285 1
1 1091 . 2 1 1 A 102 102 PRO CB C 101 34.073 30.641 3.432 1
1 1094 . 2 1 1 A 103 103 LEU H H 102 8.384 7.865 0.519 1
1 1095 . 2 1 1 A 103 103 LEU HA H 102 4.175 4.302 -0.127 1
1 1105 . 2 1 1 A 103 103 LEU CA C 102 52.733 53.773 -1.040 1
1 1106 . 2 1 1 A 103 103 LEU CB C 102 41.000 41.569 -0.569 1
1 1110 . 2 1 1 A 103 103 LEU N N 102 123.679 124.561 -0.882 1
1 1111 . 2 1 1 A 104 104 PRO HA H 103 4.658 4.708 -0.050 1
1 1118 . 2 1 1 A 104 104 PRO CA C 103 61.564 61.982 -0.418 1
1 1119 . 2 1 1 A 104 104 PRO CB C 103 32.310 33.054 -0.744 1
1 1122 . 2 1 1 A 105 105 ASP H H 104 8.605 9.030 -0.425 1
1 1123 . 2 1 1 A 105 105 ASP HA H 104 4.275 4.375 -0.100 1
1 1126 . 2 1 1 A 105 105 ASP CA C 104 57.659 56.593 1.066 1
1 1127 . 2 1 1 A 105 105 ASP CB C 104 40.754 40.302 0.452 1
1 1128 . 2 1 1 A 105 105 ASP N N 104 119.037 122.800 -3.763 1
1 1129 . 2 1 1 A 106 106 GLN H H 105 8.330 8.105 0.225 1
1 1130 . 2 1 1 A 106 106 GLN HA H 105 4.189 4.141 0.048 1
1 1135 . 2 1 1 A 106 106 GLN CA C 105 58.516 56.302 2.214 1
1 1136 . 2 1 1 A 106 106 GLN CB C 105 27.206 28.629 -1.423 1
1 1138 . 2 1 1 A 106 106 GLN N N 105 113.235 117.090 -3.855 1
1 1139 . 2 1 1 A 107 107 ALA H H 106 7.763 7.835 -0.072 1
1 1140 . 2 1 1 A 107 107 ALA HA H 106 4.862 4.010 0.852 1
1 1144 . 2 1 1 A 107 107 ALA CA C 106 50.856 51.735 -0.879 1
1 1145 . 2 1 1 A 107 107 ALA CB C 106 18.420 19.511 -1.091 1
1 1146 . 2 1 1 A 107 107 ALA N N 106 121.188 121.084 0.104 1
1 1147 . 2 1 1 A 108 108 PHE H H 107 7.291 7.507 -0.216 1
1 1148 . 2 1 1 A 108 108 PHE HA H 107 4.675 4.849 -0.174 1
1 1156 . 2 1 1 A 108 108 PHE CA C 107 57.225 55.253 1.972 1
1 1157 . 2 1 1 A 108 108 PHE CB C 107 41.449 41.260 0.189 1
1 1163 . 2 1 1 A 108 108 PHE N N 107 114.254 116.593 -2.339 1
1 1164 . 2 1 1 A 109 109 PHE H H 108 9.089 9.124 -0.035 1
1 1165 . 2 1 1 A 109 109 PHE HA H 108 5.216 5.248 -0.032 1
1 1173 . 2 1 1 A 109 109 PHE CA C 108 55.752 56.602 -0.850 1
1 1174 . 2 1 1 A 109 109 PHE CB C 108 41.744 42.428 -0.684 1
1 1180 . 2 1 1 A 109 109 PHE N N 108 119.202 121.461 -2.259 1
1 1181 . 2 1 1 A 110 110 VAL H H 109 10.389 9.106 1.283 1
1 1182 . 2 1 1 A 110 110 VAL HA H 109 4.299 4.549 -0.250 1
1 1190 . 2 1 1 A 110 110 VAL CA C 109 62.758 62.798 -0.040 1
1 1191 . 2 1 1 A 110 110 VAL CB C 109 33.099 32.583 0.516 1
1 1194 . 2 1 1 A 110 110 VAL N N 109 125.234 124.053 1.181 1
1 1195 . 2 1 1 A 111 111 LEU H H 110 8.568 8.631 -0.063 1
1 1196 . 2 1 1 A 111 111 LEU HA H 110 4.872 4.802 0.070 1
1 1206 . 2 1 1 A 111 111 LEU CA C 110 54.077 56.018 -1.941 1
1 1207 . 2 1 1 A 111 111 LEU CB C 110 43.562 42.655 0.907 1
1 1211 . 2 1 1 A 111 111 LEU N N 110 130.826 130.987 -0.161 1
1 1212 . 2 1 1 A 112 112 HIS H H 111 9.070 8.978 0.092 1
1 1213 . 2 1 1 A 112 112 HIS HA H 111 4.917 5.109 -0.192 1
1 1217 . 2 1 1 A 112 112 HIS CA C 111 54.229 54.669 -0.440 1
1 1218 . 2 1 1 A 112 112 HIS CB C 111 31.745 32.979 -1.234 1
1 1219 . 2 1 1 A 112 112 HIS N N 111 124.953 125.461 -0.508 1
1 1220 . 2 1 1 A 113 113 ASN H H 112 9.018 8.995 0.023 1
1 1221 . 2 1 1 A 113 113 ASN HA H 112 4.912 4.652 0.260 1
1 1224 . 2 1 1 A 113 113 ASN CA C 112 54.151 53.786 0.365 1
1 1225 . 2 1 1 A 113 113 ASN CB C 112 38.868 38.546 0.322 1
1 1226 . 2 1 1 A 113 113 ASN N N 112 122.645 122.889 -0.244 1
1 1227 . 2 1 1 A 114 114 MET H H 113 8.314 8.643 -0.329 1
1 1228 . 2 1 1 A 114 114 MET HA H 113 4.891 4.510 0.381 1
1 1236 . 2 1 1 A 114 114 MET CA C 113 53.171 56.882 -3.711 1
1 1237 . 2 1 1 A 114 114 MET CB C 113 32.922 33.236 -0.314 1
1 1240 . 2 1 1 A 114 114 MET N N 113 123.103 123.755 -0.652 1
1 1241 . 2 1 1 A 115 115 HIS H H 114 7.453 8.004 -0.551 1
1 1242 . 2 1 1 A 115 115 HIS HA H 114 4.664 4.711 -0.047 1
1 1246 . 2 1 1 A 115 115 HIS CA C 114 55.572 55.524 0.048 1
1 1247 . 2 1 1 A 115 115 HIS CB C 114 30.856 31.387 -0.531 1
1 1248 . 2 1 1 A 115 115 HIS N N 114 115.450 118.438 -2.988 1
1 1250 . 2 1 1 A 116 116 SER CB C 115 61.131 62.755 -1.624 1
1 1251 . 2 1 1 A 117 117 ASN H H 116 8.912 7.914 0.998 1
1 1252 . 2 1 1 A 117 117 ASN HA H 116 4.556 4.968 -0.412 1
1 1255 . 2 1 1 A 117 117 ASN CA C 116 54.106 53.455 0.651 1
1 1256 . 2 1 1 A 117 117 ASN CB C 116 37.615 40.349 -2.734 1
1 1257 . 2 1 1 A 117 117 ASN N N 116 113.703 116.112 -2.409 1
1 1258 . 2 1 1 A 118 118 CYS H H 117 7.532 7.844 -0.312 1
1 1259 . 2 1 1 A 118 118 CYS HA H 117 5.316 4.939 0.377 1
1 1262 . 2 1 1 A 118 118 CYS CA C 117 58.639 58.760 -0.121 1
1 1263 . 2 1 1 A 118 118 CYS CB C 117 30.949 29.113 1.836 1
1 1264 . 2 1 1 A 118 118 CYS N N 117 115.213 117.959 -2.746 1
1 1265 . 2 1 1 A 119 119 VAL H H 118 9.617 8.835 0.782 1
1 1266 . 2 1 1 A 119 119 VAL HA H 118 5.397 5.007 0.390 1
1 1274 . 2 1 1 A 119 119 VAL CA C 118 58.788 59.058 -0.270 1
1 1275 . 2 1 1 A 119 119 VAL CB C 118 35.745 36.274 -0.529 1
1 1278 . 2 1 1 A 119 119 VAL N N 118 116.144 117.535 -1.391 1
1 1279 . 2 1 1 A 120 120 SER H H 119 8.578 8.724 -0.146 1
1 1280 . 2 1 1 A 120 120 SER HA H 119 5.089 5.302 -0.213 1
1 1283 . 2 1 1 A 120 120 SER CA C 119 57.311 55.988 1.323 1
1 1284 . 2 1 1 A 120 120 SER CB C 119 67.751 66.422 1.329 1
1 1285 . 2 1 1 A 120 120 SER N N 119 113.930 116.770 -2.840 1
1 1286 . 2 1 1 A 121 121 PHE H H 120 10.612 9.306 1.306 1
1 1287 . 2 1 1 A 121 121 PHE HA H 120 5.365 5.269 0.096 1
1 1294 . 2 1 1 A 121 121 PHE CA C 120 55.797 56.562 -0.765 1
1 1295 . 2 1 1 A 121 121 PHE CB C 120 41.542 40.630 0.912 1
1 1300 . 2 1 1 A 121 121 PHE N N 120 120.777 122.886 -2.109 1
1 1301 . 2 1 1 A 122 122 GLU H H 121 9.509 9.411 0.098 1
1 1302 . 2 1 1 A 122 122 GLU HA H 121 4.537 5.057 -0.520 1
1 1307 . 2 1 1 A 122 122 GLU CA C 121 53.200 56.249 -3.049 1
1 1308 . 2 1 1 A 122 122 GLU CB C 121 32.943 31.001 1.942 1
1 1310 . 2 1 1 A 122 122 GLU N N 121 126.070 125.838 0.232 1
1 1311 . 2 1 1 A 123 123 CYS H H 122 9.405 8.991 0.414 1
1 1312 . 2 1 1 A 123 123 CYS HA H 122 4.065 4.982 -0.917 1
1 1315 . 2 1 1 A 123 123 CYS CA C 122 61.504 58.652 2.852 1
1 1316 . 2 1 1 A 123 123 CYS CB C 122 27.626 28.550 -0.924 1
1 1317 . 2 1 1 A 123 123 CYS N N 122 127.122 124.950 2.172 1
1 1318 . 2 1 1 A 124 124 LYS H H 123 7.533 9.341 -1.808 1
1 1319 . 2 1 1 A 124 124 LYS HA H 123 3.831 4.103 -0.272 1
1 1326 . 2 1 1 A 124 124 LYS CA C 123 59.245 58.911 0.334 1
1 1327 . 2 1 1 A 124 124 LYS CB C 123 32.946 32.263 0.683 1
1 1331 . 2 1 1 A 124 124 LYS N N 123 125.643 125.255 0.388 1
1 1332 . 2 1 1 A 125 125 THR H H 124 8.020 7.680 0.340 1
1 1333 . 2 1 1 A 125 125 THR HA H 124 4.216 4.247 -0.031 1
1 1338 . 2 1 1 A 125 125 THR CA C 124 61.424 63.547 -2.123 1
1 1339 . 2 1 1 A 125 125 THR CB C 124 68.505 69.211 -0.706 1
1 1341 . 2 1 1 A 125 125 THR N N 124 102.851 111.209 -8.358 1
1 1342 . 2 1 1 A 126 126 ASP H H 125 6.456 7.974 -1.518 1
1 1343 . 2 1 1 A 126 126 ASP HA H 125 5.125 5.085 0.040 1
1 1346 . 2 1 1 A 126 126 ASP CA C 125 51.060 51.529 -0.469 1
1 1347 . 2 1 1 A 126 126 ASP CB C 125 42.308 41.480 0.828 1
1 1348 . 2 1 1 A 126 126 ASP N N 125 119.891 121.374 -1.483 1
1 1349 . 2 1 1 A 127 127 PRO HA H 126 4.366 4.277 0.089 1
1 1356 . 2 1 1 A 127 127 PRO CA C 126 63.377 63.820 -0.443 1
1 1357 . 2 1 1 A 127 127 PRO CB C 126 31.816 31.370 0.446 1
1 1360 . 2 1 1 A 128 128 GLY H H 127 10.553 8.568 1.985 1
1 1361 . 2 1 1 A 128 128 GLY HA2 H 127 3.775 3.693 0.082 1
1 1362 . 2 1 1 A 128 128 GLY HA3 H 127 4.318 3.797 0.521 1
1 1363 . 2 1 1 A 128 128 GLY CA C 127 44.954 45.097 -0.143 1
1 1364 . 2 1 1 A 128 128 GLY N N 127 113.361 112.480 0.881 1
1 1365 . 2 1 1 A 129 129 VAL H H 128 7.846 7.259 0.587 1
1 1366 . 2 1 1 A 129 129 VAL HA H 128 4.794 4.269 0.525 1
1 1374 . 2 1 1 A 129 129 VAL CA C 128 61.754 60.936 0.818 1
1 1375 . 2 1 1 A 129 129 VAL CB C 128 31.449 33.933 -2.484 1
1 1378 . 2 1 1 A 129 129 VAL N N 128 121.005 121.784 -0.779 1
1 1379 . 2 1 1 A 130 130 PHE H H 129 9.293 9.177 0.116 1
1 1380 . 2 1 1 A 130 130 PHE HA H 129 5.819 5.581 0.238 1
1 1388 . 2 1 1 A 130 130 PHE CA C 129 55.600 56.174 -0.574 1
1 1389 . 2 1 1 A 130 130 PHE CB C 129 42.773 42.806 -0.033 1
1 1395 . 2 1 1 A 130 130 PHE N N 129 126.384 125.307 1.077 1
1 1396 . 2 1 1 A 131 131 ILE H H 130 8.555 8.743 -0.188 1
1 1397 . 2 1 1 A 131 131 ILE HA H 130 4.375 4.476 -0.101 1
1 1407 . 2 1 1 A 131 131 ILE CA C 130 63.278 62.081 1.197 1
1 1408 . 2 1 1 A 131 131 ILE CB C 130 37.850 38.438 -0.588 1
1 1412 . 2 1 1 A 131 131 ILE N N 130 118.433 124.340 -5.907 1
1 1413 . 2 1 1 A 132 132 GLY H H 131 9.225 8.463 0.762 1
1 1414 . 2 1 1 A 132 132 GLY HA2 H 131 3.693 4.152 -0.459 1
1 1415 . 2 1 1 A 132 132 GLY HA3 H 131 5.248 4.159 1.089 1
1 1416 . 2 1 1 A 132 132 GLY CA C 131 45.218 45.928 -0.710 1
1 1417 . 2 1 1 A 132 132 GLY N N 131 113.442 113.203 0.239 1
1 1418 . 2 1 1 A 133 133 VAL H H 132 8.177 8.802 -0.625 1
1 1419 . 2 1 1 A 133 133 VAL HA H 132 4.710 4.430 0.280 1
1 1427 . 2 1 1 A 133 133 VAL CA C 132 61.537 63.264 -1.727 1
1 1428 . 2 1 1 A 133 133 VAL CB C 132 33.281 31.422 1.859 1
1 1431 . 2 1 1 A 133 133 VAL N N 132 118.438 121.657 -3.219 1
1 1432 . 2 1 1 A 134 134 LYS H H 133 8.752 8.671 0.081 1
1 1433 . 2 1 1 A 134 134 LYS HA H 133 4.472 4.212 0.260 1
1 1440 . 2 1 1 A 134 134 LYS CA C 133 55.257 58.087 -2.830 1
1 1441 . 2 1 1 A 134 134 LYS CB C 133 35.500 32.989 2.511 1
1 1445 . 2 1 1 A 134 134 LYS N N 133 127.706 128.855 -1.149 1
1 1446 . 2 1 1 A 135 135 ASP H H 134 9.321 7.655 1.666 1
1 1447 . 2 1 1 A 135 135 ASP HA H 134 4.230 4.485 -0.255 1
1 1450 . 2 1 1 A 135 135 ASP CA C 134 55.965 56.137 -0.172 1
1 1451 . 2 1 1 A 135 135 ASP CB C 134 39.212 41.754 -2.542 1
1 1452 . 2 1 1 A 135 135 ASP N N 134 126.815 119.039 7.776 1
1 1453 . 2 1 1 A 136 136 ASN H H 135 8.603 7.846 0.757 1
1 1454 . 2 1 1 A 136 136 ASN HA H 135 4.380 4.959 -0.579 1
1 1457 . 2 1 1 A 136 136 ASN CA C 135 54.117 52.678 1.439 1
1 1458 . 2 1 1 A 136 136 ASN CB C 135 37.384 39.818 -2.434 1
1 1459 . 2 1 1 A 136 136 ASN N N 135 113.023 112.731 0.292 1
1 1460 . 2 1 1 A 137 137 HIS H H 136 8.112 7.319 0.793 1
1 1461 . 2 1 1 A 137 137 HIS HA H 136 5.116 5.235 -0.119 1
1 1465 . 2 1 1 A 137 137 HIS CA C 136 54.190 53.766 0.424 1
1 1466 . 2 1 1 A 137 137 HIS CB C 136 31.681 32.260 -0.579 1
1 1467 . 2 1 1 A 137 137 HIS N N 136 115.753 115.030 0.723 1
1 1468 . 2 1 1 A 138 138 LEU H H 137 8.553 8.573 -0.020 1
1 1469 . 2 1 1 A 138 138 LEU HA H 137 5.251 4.505 0.746 1
1 1479 . 2 1 1 A 138 138 LEU CA C 137 54.147 55.317 -1.170 1
1 1480 . 2 1 1 A 138 138 LEU CB C 137 42.849 42.409 0.440 1
1 1484 . 2 1 1 A 138 138 LEU N N 137 118.446 121.383 -2.937 1
1 1485 . 2 1 1 A 139 139 ALA H H 138 9.357 8.886 0.471 1
1 1486 . 2 1 1 A 139 139 ALA HA H 138 4.760 5.128 -0.368 1
1 1490 . 2 1 1 A 139 139 ALA CA C 138 51.091 50.424 0.667 1
1 1491 . 2 1 1 A 139 139 ALA CB C 138 22.924 23.601 -0.677 1
1 1492 . 2 1 1 A 139 139 ALA N N 138 126.689 125.960 0.729 1
1 1493 . 2 1 1 A 140 140 LEU H H 139 7.287 8.647 -1.360 1
1 1494 . 2 1 1 A 140 140 LEU HA H 139 5.278 4.541 0.737 1
1 1504 . 2 1 1 A 140 140 LEU CA C 139 53.026 54.649 -1.623 1
1 1505 . 2 1 1 A 140 140 LEU CB C 139 42.025 40.838 1.187 1
1 1509 . 2 1 1 A 140 140 LEU N N 139 116.219 120.710 -4.491 1
1 1510 . 2 1 1 A 141 141 ILE H H 140 9.676 9.031 0.645 1
1 1511 . 2 1 1 A 141 141 ILE HA H 140 4.321 4.625 -0.304 1
1 1521 . 2 1 1 A 141 141 ILE CA C 140 59.331 60.712 -1.381 1
1 1522 . 2 1 1 A 141 141 ILE CB C 140 40.745 38.732 2.013 1
1 1526 . 2 1 1 A 141 141 ILE N N 140 124.052 126.052 -2.000 1
1 1527 . 2 1 1 A 142 142 LYS H H 141 8.665 8.884 -0.219 1
1 1528 . 2 1 1 A 142 142 LYS HA H 141 5.053 4.849 0.204 1
1 1534 . 2 1 1 A 142 142 LYS CA C 141 55.586 55.807 -0.221 1
1 1535 . 2 1 1 A 142 142 LYS CB C 141 32.709 33.665 -0.956 1
1 1539 . 2 1 1 A 142 142 LYS N N 141 128.856 128.742 0.114 1
1 1540 . 2 1 1 A 143 143 VAL H H 142 8.757 9.014 -0.257 1
1 1541 . 2 1 1 A 143 143 VAL HA H 142 4.223 4.754 -0.531 1
1 1549 . 2 1 1 A 143 143 VAL CA C 142 62.032 60.828 1.204 1
1 1550 . 2 1 1 A 143 143 VAL CB C 142 33.008 35.130 -2.122 1
1 1553 . 2 1 1 A 143 143 VAL N N 142 127.220 126.872 0.348 1
1 1554 . 2 1 1 A 144 144 ASP H H 143 8.595 8.795 -0.200 1
1 1555 . 2 1 1 A 144 144 ASP HA H 143 4.698 4.920 -0.222 1
1 1557 . 2 1 1 A 144 144 ASP CB C 143 41.517 41.829 -0.312 1
1 1558 . 2 1 1 A 144 144 ASP N N 143 125.250 128.987 -3.737 1
1 1559 . 2 1 1 A 145 145 SER H H 144 8.296 8.653 -0.357 1
1 1560 . 2 1 1 A 145 145 SER HA H 144 4.455 4.314 0.141 1
1 1563 . 2 1 1 A 145 145 SER CA C 144 58.814 58.794 0.020 1
1 1564 . 2 1 1 A 145 145 SER CB C 144 63.202 63.062 0.140 1
1 1565 . 2 1 1 A 145 145 SER N N 144 116.695 118.462 -1.767 1
1 1566 . 2 1 1 A 146 146 SER H H 145 8.512 8.936 -0.424 1
1 1567 . 2 1 1 A 146 146 SER HA H 145 4.393 4.242 0.151 1
1 1570 . 2 1 1 A 146 146 SER CA C 145 59.286 59.525 -0.239 1
1 1571 . 2 1 1 A 146 146 SER CB C 145 63.396 63.060 0.336 1
1 1572 . 2 1 1 A 146 146 SER N N 145 117.509 122.484 -4.975 1
1 1573 . 2 1 1 A 147 147 GLU H H 146 8.145 7.717 0.428 1
1 1574 . 2 1 1 A 147 147 GLU HA H 146 4.351 4.455 -0.104 1
1 1578 . 2 1 1 A 147 147 GLU CA C 146 56.389 57.831 -1.442 1
1 1579 . 2 1 1 A 147 147 GLU N N 146 121.023 120.439 0.584 1
1 1580 . 2 1 1 A 148 148 ASN H H 147 8.145 7.743 0.402 1
1 1581 . 2 1 1 A 148 148 ASN HA H 147 4.584 5.022 -0.438 1
1 1584 . 2 1 1 A 148 148 ASN CA C 147 53.643 52.140 1.503 1
1 1585 . 2 1 1 A 148 148 ASN CB C 147 38.423 39.292 -0.869 1
1 1586 . 2 1 1 A 148 148 ASN N N 147 118.043 115.702 2.341 1
1 1587 . 2 1 1 A 149 149 LEU H H 148 7.953 7.955 -0.002 1
1 1588 . 2 1 1 A 149 149 LEU HA H 148 4.294 4.075 0.219 1
1 1598 . 2 1 1 A 149 149 LEU CA C 148 55.249 56.996 -1.747 1
1 1599 . 2 1 1 A 149 149 LEU CB C 148 42.000 41.948 0.052 1
1 1603 . 2 1 1 A 149 149 LEU N N 148 120.366 120.390 -0.024 1
1 1604 . 2 1 1 A 150 150 CYS H H 149 8.141 7.721 0.420 1
1 1605 . 2 1 1 A 150 150 CYS HA H 149 4.517 4.495 0.022 1
1 1608 . 2 1 1 A 150 150 CYS CA C 149 57.817 58.058 -0.241 1
1 1609 . 2 1 1 A 150 150 CYS CB C 149 27.529 26.239 1.290 1
1 1610 . 2 1 1 A 150 150 CYS N N 149 118.879 115.904 2.975 1
1 1611 . 2 1 1 A 151 151 THR H H 150 7.892 8.000 -0.108 1
1 1612 . 2 1 1 A 151 151 THR HA H 150 4.191 4.728 -0.537 1
1 1617 . 2 1 1 A 151 151 THR CA C 150 61.680 61.649 0.031 1
1 1618 . 2 1 1 A 151 151 THR CB C 150 68.930 70.951 -2.021 1
1 1620 . 2 1 1 A 151 151 THR N N 150 117.354 119.766 -2.412 1
1 1621 . 2 1 1 A 152 152 GLU H H 151 8.547 8.890 -0.343 1
1 1622 . 2 1 1 A 152 152 GLU HA H 151 3.600 3.925 -0.325 1
1 1627 . 2 1 1 A 152 152 GLU CA C 151 59.126 58.669 0.457 1
1 1628 . 2 1 1 A 152 152 GLU CB C 151 28.575 29.344 -0.769 1
1 1630 . 2 1 1 A 152 152 GLU N N 151 122.526 127.451 -4.925 1
1 1631 . 2 1 1 A 153 153 ASN H H 152 8.140 8.110 0.030 1
1 1632 . 2 1 1 A 153 153 ASN HA H 152 4.525 4.448 0.077 1
1 1635 . 2 1 1 A 153 153 ASN CA C 152 54.838 56.074 -1.236 1
1 1636 . 2 1 1 A 153 153 ASN CB C 152 37.230 38.261 -1.031 1
1 1637 . 2 1 1 A 153 153 ASN N N 152 113.916 117.363 -3.447 1
1 1638 . 2 1 1 A 154 154 ILE H H 153 6.885 7.467 -0.582 1
1 1639 . 2 1 1 A 154 154 ILE HA H 153 5.150 4.079 1.071 1
1 1649 . 2 1 1 A 154 154 ILE CA C 153 60.523 60.556 -0.033 1
1 1650 . 2 1 1 A 154 154 ILE CB C 153 38.399 37.057 1.342 1
1 1654 . 2 1 1 A 154 154 ILE N N 153 108.606 111.470 -2.864 1
1 1655 . 2 1 1 A 155 155 LEU H H 154 7.162 7.233 -0.071 1
1 1656 . 2 1 1 A 155 155 LEU HA H 154 4.654 4.704 -0.050 1
1 1666 . 2 1 1 A 155 155 LEU CA C 154 54.179 52.720 1.459 1
1 1667 . 2 1 1 A 155 155 LEU CB C 154 43.178 43.672 -0.494 1
1 1671 . 2 1 1 A 155 155 LEU N N 154 123.152 123.761 -0.609 1
1 1672 . 2 1 1 A 156 156 PHE H H 155 9.292 9.030 0.262 1
1 1673 . 2 1 1 A 156 156 PHE HA H 155 5.175 5.290 -0.115 1
1 1681 . 2 1 1 A 156 156 PHE CA C 155 56.409 56.668 -0.259 1
1 1682 . 2 1 1 A 156 156 PHE CB C 155 43.001 41.938 1.063 1
1 1688 . 2 1 1 A 156 156 PHE N N 155 119.900 123.732 -3.832 1
1 1689 . 2 1 1 A 157 157 LYS H H 156 9.195 8.938 0.257 1
1 1690 . 2 1 1 A 157 157 LYS HA H 156 4.966 5.123 -0.157 1
1 1698 . 2 1 1 A 157 157 LYS CA C 156 55.200 54.917 0.283 1
1 1699 . 2 1 1 A 157 157 LYS CB C 156 35.002 36.026 -1.024 1
1 1703 . 2 1 1 A 157 157 LYS N N 156 118.435 119.786 -1.351 1
1 1704 . 2 1 1 A 158 158 LEU H H 157 8.769 9.161 -0.392 1
1 1705 . 2 1 1 A 158 158 LEU HA H 157 5.356 5.276 0.080 1
1 1715 . 2 1 1 A 158 158 LEU CA C 157 53.173 53.730 -0.557 1
1 1716 . 2 1 1 A 158 158 LEU CB C 157 44.220 43.334 0.886 1
1 1720 . 2 1 1 A 158 158 LEU N N 157 122.607 125.202 -2.595 1
1 1721 . 2 1 1 A 159 159 SER H H 158 8.462 8.683 -0.221 1
1 1722 . 2 1 1 A 159 159 SER HA H 158 4.854 5.259 -0.405 1
1 1724 . 2 1 1 A 159 159 SER CA C 158 57.305 57.502 -0.197 1
1 1725 . 2 1 1 A 159 159 SER CB C 158 64.330 64.965 -0.635 1
1 1726 . 2 1 1 A 159 159 SER N N 158 116.051 122.056 -6.005 1
1 1727 . 2 1 1 A 160 160 GLU H H 159 9.008 8.929 0.079 1
1 1728 . 2 1 1 A 160 160 GLU HA H 159 4.606 4.757 -0.151 1
1 1732 . 2 1 1 A 160 160 GLU CA C 159 56.956 54.904 2.052 1
1 1733 . 2 1 1 A 160 160 GLU CB C 159 30.452 29.171 1.281 1
1 1735 . 2 1 1 A 160 160 GLU N N 159 124.532 125.081 -0.549 1
1 1 . 3 1 1 A 4 4 ILE H H 3 8.198 8.162 0.036 1
1 2 . 3 1 1 A 4 4 ILE HA H 3 4.246 3.967 0.279 1
1 12 . 3 1 1 A 4 4 ILE CA C 3 61.002 62.572 -1.570 1
1 13 . 3 1 1 A 4 4 ILE CB C 3 38.400 38.895 -0.495 1
1 17 . 3 1 1 A 4 4 ILE N N 3 121.904 123.226 -1.322 1
1 18 . 3 1 1 A 5 5 THR H H 4 8.045 7.706 0.339 1
1 19 . 3 1 1 A 5 5 THR HA H 4 4.328 4.416 -0.088 1
1 24 . 3 1 1 A 5 5 THR CA C 4 61.754 61.521 0.233 1
1 25 . 3 1 1 A 5 5 THR CB C 4 69.755 69.332 0.423 1
1 27 . 3 1 1 A 5 5 THR N N 4 117.078 111.327 5.751 1
1 28 . 3 1 1 A 6 6 GLY H H 5 8.294 8.313 -0.019 1
1 29 . 3 1 1 A 6 6 GLY HA2 H 5 3.978 3.866 0.112 1
1 30 . 3 1 1 A 6 6 GLY HA3 H 5 4.040 3.870 0.170 1
1 31 . 3 1 1 A 6 6 GLY CA C 5 45.204 46.571 -1.367 1
1 32 . 3 1 1 A 6 6 GLY N N 5 110.823 114.844 -4.021 1
1 33 . 3 1 1 A 7 7 ILE H H 6 7.850 7.698 0.152 1
1 34 . 3 1 1 A 7 7 ILE HA H 6 4.507 4.271 0.236 1
1 44 . 3 1 1 A 7 7 ILE CA C 6 61.058 60.743 0.315 1
1 45 . 3 1 1 A 7 7 ILE CB C 6 39.405 39.229 0.176 1
1 49 . 3 1 1 A 7 7 ILE N N 6 117.894 120.136 -2.242 1
1 50 . 3 1 1 A 8 8 SER H H 7 8.484 8.944 -0.460 1
1 51 . 3 1 1 A 8 8 SER HA H 7 5.138 5.140 -0.002 1
1 54 . 3 1 1 A 8 8 SER CA C 7 55.586 55.272 0.314 1
1 55 . 3 1 1 A 8 8 SER CB C 7 63.867 65.327 -1.460 1
1 56 . 3 1 1 A 8 8 SER N N 7 119.581 117.486 2.095 1
1 57 . 3 1 1 A 9 9 PRO HA H 8 4.070 4.657 -0.587 1
1 64 . 3 1 1 A 9 9 PRO CA C 8 62.783 62.642 0.141 1
1 65 . 3 1 1 A 9 9 PRO CB C 8 32.390 31.755 0.635 1
1 68 . 3 1 1 A 10 10 ILE H H 9 8.916 8.596 0.320 1
1 69 . 3 1 1 A 10 10 ILE HA H 9 4.231 4.058 0.173 1
1 79 . 3 1 1 A 10 10 ILE CA C 9 62.297 63.314 -1.017 1
1 80 . 3 1 1 A 10 10 ILE CB C 9 39.145 39.002 0.143 1
1 84 . 3 1 1 A 10 10 ILE N N 9 119.667 119.057 0.610 1
1 85 . 3 1 1 A 11 11 THR H H 10 7.263 7.446 -0.183 1
1 86 . 3 1 1 A 11 11 THR HA H 10 4.577 4.548 0.029 1
1 91 . 3 1 1 A 11 11 THR CA C 10 60.889 61.373 -0.484 1
1 92 . 3 1 1 A 11 11 THR CB C 10 69.698 71.064 -1.366 1
1 94 . 3 1 1 A 11 11 THR N N 10 112.847 111.919 0.928 1
1 95 . 3 1 1 A 12 12 GLU H H 11 8.157 8.822 -0.665 1
1 96 . 3 1 1 A 12 12 GLU HA H 11 5.689 5.493 0.196 1
1 100 . 3 1 1 A 12 12 GLU CA C 11 54.700 55.168 -0.468 1
1 101 . 3 1 1 A 12 12 GLU CB C 11 33.384 33.682 -0.298 1
1 103 . 3 1 1 A 12 12 GLU N N 11 122.192 127.591 -5.399 1
1 104 . 3 1 1 A 13 13 TYR H H 12 8.917 8.633 0.284 1
1 105 . 3 1 1 A 13 13 TYR HA H 12 4.919 5.167 -0.248 1
1 112 . 3 1 1 A 13 13 TYR CA C 12 56.453 56.493 -0.040 1
1 113 . 3 1 1 A 13 13 TYR CB C 12 40.158 40.050 0.108 1
1 118 . 3 1 1 A 13 13 TYR N N 12 119.678 120.976 -1.298 1
1 119 . 3 1 1 A 14 14 LEU H H 13 8.420 8.642 -0.222 1
1 120 . 3 1 1 A 14 14 LEU HA H 13 5.201 4.849 0.352 1
1 130 . 3 1 1 A 14 14 LEU CA C 13 53.778 54.280 -0.502 1
1 131 . 3 1 1 A 14 14 LEU CB C 13 43.570 43.085 0.485 1
1 135 . 3 1 1 A 14 14 LEU N N 13 121.655 121.228 0.427 1
1 136 . 3 1 1 A 15 15 ALA H H 14 9.227 8.892 0.335 1
1 137 . 3 1 1 A 15 15 ALA HA H 14 4.979 5.052 -0.073 1
1 141 . 3 1 1 A 15 15 ALA CA C 14 50.832 51.636 -0.804 1
1 142 . 3 1 1 A 15 15 ALA CB C 14 23.479 23.236 0.243 1
1 143 . 3 1 1 A 15 15 ALA N N 14 124.927 125.554 -0.627 1
1 144 . 3 1 1 A 16 16 SER H H 15 9.006 8.850 0.156 1
1 145 . 3 1 1 A 16 16 SER HA H 15 5.044 5.180 -0.136 1
1 148 . 3 1 1 A 16 16 SER CA C 15 57.379 56.429 0.950 1
1 149 . 3 1 1 A 16 16 SER CB C 15 64.811 64.392 0.419 1
1 150 . 3 1 1 A 16 16 SER N N 15 115.217 117.154 -1.937 1
1 151 . 3 1 1 A 17 17 LEU H H 16 9.299 8.876 0.423 1
1 152 . 3 1 1 A 17 17 LEU HA H 16 5.350 4.701 0.649 1
1 162 . 3 1 1 A 17 17 LEU CA C 16 54.150 55.286 -1.136 1
1 163 . 3 1 1 A 17 17 LEU CB C 16 45.483 42.584 2.899 1
1 167 . 3 1 1 A 17 17 LEU N N 16 125.526 126.053 -0.527 1
1 168 . 3 1 1 A 18 18 SER H H 17 9.032 9.113 -0.081 1
1 169 . 3 1 1 A 18 18 SER HA H 17 5.707 5.443 0.264 1
1 172 . 3 1 1 A 18 18 SER CA C 17 56.078 56.649 -0.571 1
1 173 . 3 1 1 A 18 18 SER CB C 17 66.504 65.796 0.708 1
1 174 . 3 1 1 A 18 18 SER N N 17 118.219 120.416 -2.197 1
1 175 . 3 1 1 A 19 19 THR H H 18 9.122 8.853 0.269 1
1 176 . 3 1 1 A 19 19 THR HA H 18 4.651 4.269 0.382 1
1 182 . 3 1 1 A 19 19 THR CA C 18 60.871 61.237 -0.366 1
1 183 . 3 1 1 A 19 19 THR CB C 18 71.214 70.945 0.269 1
1 185 . 3 1 1 A 19 19 THR N N 18 110.542 117.239 -6.697 1
1 186 . 3 1 1 A 20 20 TYR H H 19 7.890 9.075 -1.185 1
1 187 . 3 1 1 A 20 20 TYR HA H 19 3.895 4.115 -0.220 1
1 194 . 3 1 1 A 20 20 TYR CA C 19 61.228 60.561 0.667 1
1 195 . 3 1 1 A 20 20 TYR CB C 19 39.123 38.925 0.198 1
1 200 . 3 1 1 A 20 20 TYR N N 19 119.460 123.163 -3.703 1
1 201 . 3 1 1 A 21 21 ASN H H 20 7.312 7.943 -0.631 1
1 202 . 3 1 1 A 21 21 ASN HA H 20 4.663 4.797 -0.134 1
1 205 . 3 1 1 A 21 21 ASN CA C 20 52.035 52.964 -0.929 1
1 206 . 3 1 1 A 21 21 ASN CB C 20 37.228 38.479 -1.251 1
1 207 . 3 1 1 A 21 21 ASN N N 20 112.235 115.682 -3.447 1
1 208 . 3 1 1 A 22 22 ASP H H 21 7.919 7.671 0.248 1
1 209 . 3 1 1 A 22 22 ASP HA H 21 4.210 4.135 0.075 1
1 212 . 3 1 1 A 22 22 ASP CA C 21 56.289 55.596 0.693 1
1 213 . 3 1 1 A 22 22 ASP CB C 21 38.389 39.672 -1.283 1
1 214 . 3 1 1 A 22 22 ASP N N 21 113.136 115.492 -2.356 1
1 215 . 3 1 1 A 23 23 GLN H H 22 7.621 7.390 0.231 1
1 216 . 3 1 1 A 23 23 GLN HA H 22 4.576 4.668 -0.092 1
1 221 . 3 1 1 A 23 23 GLN CA C 22 55.474 54.596 0.878 1
1 222 . 3 1 1 A 23 23 GLN CB C 22 29.609 29.924 -0.315 1
1 224 . 3 1 1 A 23 23 GLN N N 22 115.930 118.258 -2.328 1
1 225 . 3 1 1 A 24 24 SER H H 23 8.847 8.688 0.159 1
1 226 . 3 1 1 A 24 24 SER HA H 23 4.699 5.321 -0.622 1
1 229 . 3 1 1 A 24 24 SER CA C 23 59.518 56.384 3.134 1
1 230 . 3 1 1 A 24 24 SER CB C 23 64.710 66.331 -1.621 1
1 231 . 3 1 1 A 24 24 SER N N 23 118.760 115.940 2.820 1
1 232 . 3 1 1 A 25 25 ILE H H 24 7.851 8.608 -0.757 1
1 233 . 3 1 1 A 25 25 ILE HA H 24 4.685 4.587 0.098 1
1 243 . 3 1 1 A 25 25 ILE CA C 24 59.480 60.569 -1.089 1
1 244 . 3 1 1 A 25 25 ILE CB C 24 36.204 38.864 -2.660 1
1 248 . 3 1 1 A 25 25 ILE N N 24 122.951 124.091 -1.140 1
1 249 . 3 1 1 A 26 26 THR H H 25 8.865 8.418 0.447 1
1 250 . 3 1 1 A 26 26 THR HA H 25 4.615 4.897 -0.282 1
1 255 . 3 1 1 A 26 26 THR CA C 25 59.720 60.981 -1.261 1
1 256 . 3 1 1 A 26 26 THR CB C 25 70.755 70.836 -0.081 1
1 258 . 3 1 1 A 26 26 THR N N 25 123.404 121.428 1.976 1
1 259 . 3 1 1 A 27 27 PHE H H 26 8.614 9.192 -0.578 1
1 260 . 3 1 1 A 27 27 PHE HA H 26 4.986 4.851 0.135 1
1 268 . 3 1 1 A 27 27 PHE CA C 26 55.673 56.163 -0.490 1
1 269 . 3 1 1 A 27 27 PHE CB C 26 40.422 39.947 0.475 1
1 275 . 3 1 1 A 27 27 PHE N N 26 120.710 124.969 -4.259 1
1 276 . 3 1 1 A 28 28 ALA H H 27 8.989 8.574 0.415 1
1 277 . 3 1 1 A 28 28 ALA HA H 27 4.719 4.477 0.242 1
1 281 . 3 1 1 A 28 28 ALA CA C 27 51.105 51.255 -0.150 1
1 282 . 3 1 1 A 28 28 ALA CB C 27 20.169 18.726 1.443 1
1 283 . 3 1 1 A 28 28 ALA N N 27 127.571 127.796 -0.225 1
1 284 . 3 1 1 A 29 29 LEU H H 28 8.302 8.152 0.150 1
1 285 . 3 1 1 A 29 29 LEU HA H 28 4.388 4.613 -0.225 1
1 295 . 3 1 1 A 29 29 LEU CA C 28 54.689 54.251 0.438 1
1 296 . 3 1 1 A 29 29 LEU CB C 28 42.072 40.962 1.110 1
1 300 . 3 1 1 A 29 29 LEU N N 28 123.967 124.694 -0.727 1
1 301 . 3 1 1 A 30 30 GLU H H 29 8.426 8.562 -0.136 1
1 302 . 3 1 1 A 30 30 GLU HA H 29 4.383 4.495 -0.112 1
1 306 . 3 1 1 A 30 30 GLU CA C 29 55.674 55.425 0.249 1
1 307 . 3 1 1 A 30 30 GLU CB C 29 30.616 30.922 -0.306 1
1 309 . 3 1 1 A 30 30 GLU N N 29 123.800 124.203 -0.403 1
1 310 . 3 1 1 A 31 31 ASP H H 30 8.504 8.677 -0.173 1
1 311 . 3 1 1 A 31 31 ASP HA H 30 4.359 4.248 0.111 1
1 314 . 3 1 1 A 31 31 ASP CA C 30 55.650 57.387 -1.737 1
1 315 . 3 1 1 A 31 31 ASP CB C 30 39.912 40.936 -1.024 1
1 316 . 3 1 1 A 31 31 ASP N N 30 121.263 120.934 0.329 1
1 317 . 3 1 1 A 32 32 GLU H H 31 8.235 7.837 0.398 1
1 318 . 3 1 1 A 32 32 GLU HA H 31 4.039 4.314 -0.275 1
1 323 . 3 1 1 A 32 32 GLU CA C 31 56.572 55.742 0.830 1
1 324 . 3 1 1 A 32 32 GLU CB C 31 29.099 31.070 -1.971 1
1 326 . 3 1 1 A 32 32 GLU N N 31 115.284 113.133 2.151 1
1 327 . 3 1 1 A 33 33 SER H H 32 7.854 7.508 0.346 1
1 328 . 3 1 1 A 33 33 SER HA H 32 4.556 4.718 -0.162 1
1 330 . 3 1 1 A 33 33 SER CA C 32 57.848 56.702 1.146 1
1 331 . 3 1 1 A 33 33 SER CB C 32 64.080 64.595 -0.515 1
1 332 . 3 1 1 A 33 33 SER N N 32 114.403 116.487 -2.084 1
1 333 . 3 1 1 A 34 34 TYR H H 33 8.117 9.013 -0.896 1
1 334 . 3 1 1 A 34 34 TYR HA H 33 4.995 5.023 -0.028 1
1 341 . 3 1 1 A 34 34 TYR CA C 33 56.928 56.410 0.518 1
1 342 . 3 1 1 A 34 34 TYR CB C 33 39.116 39.072 0.044 1
1 347 . 3 1 1 A 34 34 TYR N N 33 119.987 126.588 -6.601 1
1 348 . 3 1 1 A 35 35 GLU H H 34 8.466 8.678 -0.212 1
1 349 . 3 1 1 A 35 35 GLU HA H 34 4.574 5.060 -0.486 1
1 352 . 3 1 1 A 35 35 GLU CA C 34 55.417 55.523 -0.106 1
1 353 . 3 1 1 A 35 35 GLU CB C 34 33.071 32.149 0.922 1
1 355 . 3 1 1 A 35 35 GLU N N 34 120.614 124.421 -3.807 1
1 356 . 3 1 1 A 36 36 ILE H H 35 8.485 8.882 -0.397 1
1 357 . 3 1 1 A 36 36 ILE HA H 35 4.713 4.950 -0.237 1
1 367 . 3 1 1 A 36 36 ILE CA C 35 60.138 60.078 0.060 1
1 368 . 3 1 1 A 36 36 ILE CB C 35 39.383 40.476 -1.093 1
1 372 . 3 1 1 A 36 36 ILE N N 35 121.673 124.224 -2.551 1
1 373 . 3 1 1 A 37 37 TYR H H 36 8.725 7.979 0.746 1
1 374 . 3 1 1 A 37 37 TYR HA H 36 5.148 5.400 -0.252 1
1 380 . 3 1 1 A 37 37 TYR CA C 36 55.698 56.086 -0.388 1
1 381 . 3 1 1 A 37 37 TYR CB C 36 40.866 41.251 -0.385 1
1 386 . 3 1 1 A 37 37 TYR N N 36 125.169 123.443 1.726 1
1 387 . 3 1 1 A 38 38 VAL H H 37 7.859 8.659 -0.800 1
1 388 . 3 1 1 A 38 38 VAL HA H 37 4.636 4.624 0.012 1
1 396 . 3 1 1 A 38 38 VAL CA C 37 60.937 61.324 -0.387 1
1 397 . 3 1 1 A 38 38 VAL CB C 37 32.382 32.946 -0.564 1
1 400 . 3 1 1 A 38 38 VAL N N 37 120.727 120.961 -0.234 1
1 401 . 3 1 1 A 39 39 GLU H H 38 8.885 8.773 0.112 1
1 402 . 3 1 1 A 39 39 GLU HA H 38 4.690 4.975 -0.285 1
1 407 . 3 1 1 A 39 39 GLU CA C 38 55.174 54.763 0.411 1
1 408 . 3 1 1 A 39 39 GLU CB C 38 33.421 31.524 1.897 1
1 410 . 3 1 1 A 39 39 GLU N N 38 124.823 127.639 -2.816 1
1 411 . 3 1 1 A 40 40 ASP H H 39 8.646 8.984 -0.338 1
1 412 . 3 1 1 A 40 40 ASP HA H 39 4.721 5.491 -0.770 1
1 415 . 3 1 1 A 40 40 ASP CA C 39 54.340 52.583 1.757 1
1 416 . 3 1 1 A 40 40 ASP CB C 39 40.839 42.476 -1.637 1
1 417 . 3 1 1 A 40 40 ASP N N 39 122.400 120.146 2.254 1
1 418 . 3 1 1 A 41 41 LEU H H 40 8.133 8.910 -0.777 1
1 419 . 3 1 1 A 41 41 LEU HA H 40 4.430 4.463 -0.033 1
1 429 . 3 1 1 A 41 41 LEU CA C 40 54.553 54.274 0.279 1
1 430 . 3 1 1 A 41 41 LEU CB C 40 42.942 42.495 0.447 1
1 434 . 3 1 1 A 41 41 LEU N N 40 122.394 123.988 -1.594 1
1 435 . 3 1 1 A 42 42 LYS H H 41 8.659 9.042 -0.383 1
1 436 . 3 1 1 A 42 42 LYS HA H 41 4.357 4.561 -0.204 1
1 442 . 3 1 1 A 42 42 LYS CA C 41 55.924 57.165 -1.241 1
1 443 . 3 1 1 A 42 42 LYS CB C 41 32.421 35.050 -2.629 1
1 447 . 3 1 1 A 42 42 LYS N N 41 122.920 120.529 2.391 1
1 448 . 3 1 1 A 43 43 LYS H H 42 8.371 8.431 -0.060 1
1 449 . 3 1 1 A 43 43 LYS HA H 42 4.223 4.388 -0.165 1
1 455 . 3 1 1 A 43 43 LYS CA C 42 56.924 57.911 -0.987 1
1 456 . 3 1 1 A 43 43 LYS CB C 42 32.671 33.004 -0.333 1
1 460 . 3 1 1 A 43 43 LYS N N 42 121.924 115.383 6.541 1
1 461 . 3 1 1 A 44 44 ASP H H 43 8.355 7.847 0.508 1
1 462 . 3 1 1 A 44 44 ASP HA H 43 4.556 4.862 -0.306 1
1 464 . 3 1 1 A 44 44 ASP CA C 43 54.243 53.593 0.650 1
1 465 . 3 1 1 A 44 44 ASP CB C 43 40.582 40.723 -0.141 1
1 466 . 3 1 1 A 44 44 ASP N N 43 118.485 115.236 3.249 1
1 467 . 3 1 1 A 45 45 GLU H H 44 8.011 8.890 -0.879 1
1 468 . 3 1 1 A 45 45 GLU HA H 44 4.313 4.901 -0.588 1
1 473 . 3 1 1 A 45 45 GLU CA C 44 56.362 55.053 1.309 1
1 474 . 3 1 1 A 45 45 GLU CB C 44 30.265 31.791 -1.526 1
1 476 . 3 1 1 A 45 45 GLU N N 44 119.516 125.187 -5.671 1
1 477 . 3 1 1 A 46 46 LYS H H 45 8.304 8.583 -0.279 1
1 478 . 3 1 1 A 46 46 LYS HA H 45 4.307 4.375 -0.068 1
1 485 . 3 1 1 A 46 46 LYS CA C 45 56.424 57.287 -0.863 1
1 486 . 3 1 1 A 46 46 LYS CB C 45 32.421 33.336 -0.915 1
1 490 . 3 1 1 A 46 46 LYS N N 45 121.875 124.686 -2.811 1
1 491 . 3 1 1 A 47 47 LYS H H 46 8.280 8.695 -0.415 1
1 492 . 3 1 1 A 47 47 LYS HA H 46 4.469 4.880 -0.411 1
1 498 . 3 1 1 A 47 47 LYS CA C 46 55.514 54.125 1.389 1
1 499 . 3 1 1 A 47 47 LYS CB C 46 33.264 35.774 -2.510 1
1 503 . 3 1 1 A 47 47 LYS N N 46 122.374 121.748 0.626 1
1 504 . 3 1 1 A 48 48 ASP H H 47 8.778 8.493 0.285 1
1 505 . 3 1 1 A 48 48 ASP HA H 47 4.811 4.962 -0.151 1
1 507 . 3 1 1 A 48 48 ASP CA C 47 54.357 54.368 -0.011 1
1 508 . 3 1 1 A 48 48 ASP CB C 47 41.842 41.709 0.133 1
1 509 . 3 1 1 A 48 48 ASP N N 47 122.211 120.238 1.973 1
1 510 . 3 1 1 A 49 49 LYS H H 48 8.388 8.413 -0.025 1
1 511 . 3 1 1 A 49 49 LYS HA H 48 4.593 4.976 -0.383 1
1 519 . 3 1 1 A 49 49 LYS CA C 48 55.134 54.917 0.217 1
1 520 . 3 1 1 A 49 49 LYS CB C 48 34.993 34.825 0.168 1
1 524 . 3 1 1 A 49 49 LYS N N 48 120.889 122.143 -1.254 1
1 525 . 3 1 1 A 50 50 VAL H H 49 9.063 8.818 0.245 1
1 526 . 3 1 1 A 50 50 VAL HA H 49 4.097 4.571 -0.474 1
1 534 . 3 1 1 A 50 50 VAL CA C 49 59.275 60.707 -1.432 1
1 535 . 3 1 1 A 50 50 VAL CB C 49 33.958 34.029 -0.071 1
1 538 . 3 1 1 A 50 50 VAL N N 49 118.350 122.075 -3.725 1
1 539 . 3 1 1 A 51 51 LEU H H 50 8.238 8.786 -0.548 1
1 540 . 3 1 1 A 51 51 LEU HA H 50 4.561 4.487 0.074 1
1 550 . 3 1 1 A 51 51 LEU CA C 50 54.877 54.862 0.015 1
1 551 . 3 1 1 A 51 51 LEU CB C 50 42.481 42.341 0.140 1
1 555 . 3 1 1 A 51 51 LEU N N 50 125.236 130.841 -5.605 1
1 556 . 3 1 1 A 52 52 LEU H H 51 9.286 8.876 0.410 1
1 557 . 3 1 1 A 52 52 LEU HA H 51 5.190 5.302 -0.112 1
1 567 . 3 1 1 A 52 52 LEU CA C 51 54.228 53.534 0.694 1
1 568 . 3 1 1 A 52 52 LEU CB C 51 42.961 43.431 -0.470 1
1 572 . 3 1 1 A 52 52 LEU N N 51 134.513 129.932 4.581 1
1 573 . 3 1 1 A 53 53 SER H H 52 7.992 8.808 -0.816 1
1 574 . 3 1 1 A 53 53 SER HA H 52 5.233 5.362 -0.129 1
1 577 . 3 1 1 A 53 53 SER CA C 52 56.869 56.240 0.629 1
1 578 . 3 1 1 A 53 53 SER CB C 52 62.776 65.357 -2.581 1
1 579 . 3 1 1 A 53 53 SER N N 52 117.641 118.968 -1.327 1
1 580 . 3 1 1 A 54 54 TYR H H 53 8.703 9.058 -0.355 1
1 581 . 3 1 1 A 54 54 TYR HA H 53 5.611 5.432 0.179 1
1 588 . 3 1 1 A 54 54 TYR CA C 53 56.264 57.556 -1.292 1
1 589 . 3 1 1 A 54 54 TYR CB C 53 40.455 41.368 -0.913 1
1 594 . 3 1 1 A 54 54 TYR N N 53 122.503 124.567 -2.064 1
1 595 . 3 1 1 A 55 55 TYR H H 54 9.813 9.131 0.682 1
1 596 . 3 1 1 A 55 55 TYR HA H 54 4.983 5.089 -0.106 1
1 603 . 3 1 1 A 55 55 TYR CA C 54 56.465 56.164 0.301 1
1 604 . 3 1 1 A 55 55 TYR CB C 54 41.898 42.945 -1.047 1
1 609 . 3 1 1 A 55 55 TYR N N 54 120.204 120.432 -0.228 1
1 610 . 3 1 1 A 56 56 GLU H H 55 8.804 9.042 -0.238 1
1 611 . 3 1 1 A 56 56 GLU HA H 55 4.913 5.189 -0.276 1
1 616 . 3 1 1 A 56 56 GLU CA C 55 55.700 54.832 0.868 1
1 617 . 3 1 1 A 56 56 GLU CB C 55 31.684 31.625 0.059 1
1 619 . 3 1 1 A 56 56 GLU N N 55 120.472 121.785 -1.313 1
1 620 . 3 1 1 A 57 57 SER H H 56 8.580 8.810 -0.230 1
1 621 . 3 1 1 A 57 57 SER HA H 56 4.619 4.485 0.134 1
1 624 . 3 1 1 A 57 57 SER CA C 56 57.332 58.218 -0.886 1
1 625 . 3 1 1 A 57 57 SER CB C 56 64.338 64.156 0.182 1
1 626 . 3 1 1 A 57 57 SER N N 56 117.342 121.614 -4.272 1
1 627 . 3 1 1 A 58 58 GLN H H 57 8.426 8.301 0.125 1
1 628 . 3 1 1 A 58 58 GLN HA H 57 4.482 4.625 -0.143 1
1 632 . 3 1 1 A 58 58 GLN CA C 57 55.364 55.588 -0.224 1
1 633 . 3 1 1 A 58 58 GLN CB C 57 29.603 31.461 -1.858 1
1 635 . 3 1 1 A 58 58 GLN N N 57 121.444 124.317 -2.873 1
1 636 . 3 1 1 A 59 59 HIS H H 58 8.481 8.917 -0.436 1
1 637 . 3 1 1 A 59 59 HIS HA H 58 4.862 4.733 0.129 1
1 641 . 3 1 1 A 59 59 HIS CA C 58 54.055 54.724 -0.669 1
1 642 . 3 1 1 A 59 59 HIS CB C 58 30.237 30.399 -0.162 1
1 643 . 3 1 1 A 59 59 HIS N N 58 122.199 125.656 -3.457 1
1 644 . 3 1 1 A 60 60 PRO HA H 59 4.506 4.271 0.235 1
1 650 . 3 1 1 A 60 60 PRO CA C 59 63.254 64.725 -1.471 1
1 651 . 3 1 1 A 60 60 PRO CB C 59 31.829 31.740 0.089 1
1 654 . 3 1 1 A 62 62 ASN H H 61 8.465 8.711 -0.246 1
1 655 . 3 1 1 A 62 62 ASN HA H 61 4.769 5.260 -0.491 1
1 657 . 3 1 1 A 62 62 ASN CA C 61 53.310 52.359 0.951 1
1 658 . 3 1 1 A 62 62 ASN CB C 61 38.545 39.255 -0.710 1
1 659 . 3 1 1 A 62 62 ASN N N 61 120.049 121.473 -1.424 1
1 660 . 3 1 1 A 63 63 GLU H H 62 8.369 9.063 -0.694 1
1 661 . 3 1 1 A 63 63 GLU HA H 62 4.348 4.966 -0.618 1
1 666 . 3 1 1 A 63 63 GLU CA C 62 56.828 54.869 1.959 1
1 667 . 3 1 1 A 63 63 GLU CB C 62 30.044 33.091 -3.047 1
1 669 . 3 1 1 A 63 63 GLU N N 62 120.260 125.940 -5.680 1
1 670 . 3 1 1 A 64 64 SER H H 63 8.254 8.964 -0.710 1
1 671 . 3 1 1 A 64 64 SER HA H 63 4.494 4.915 -0.421 1
1 674 . 3 1 1 A 64 64 SER CA C 63 58.213 57.609 0.604 1
1 675 . 3 1 1 A 64 64 SER CB C 63 63.799 64.650 -0.851 1
1 676 . 3 1 1 A 64 64 SER N N 63 115.291 123.797 -8.506 1
1 677 . 3 1 1 A 65 65 GLY H H 64 8.294 8.531 -0.237 1
1 678 . 3 1 1 A 65 65 GLY HA2 H 64 4.001 4.122 -0.121 1
1 679 . 3 1 1 A 65 65 GLY CA C 64 45.306 45.599 -0.293 1
1 680 . 3 1 1 A 65 65 GLY N N 64 110.364 113.549 -3.185 1
1 681 . 3 1 1 A 66 66 ASP H H 65 8.227 8.355 -0.128 1
1 682 . 3 1 1 A 66 66 ASP HA H 65 4.664 4.268 0.396 1
1 684 . 3 1 1 A 66 66 ASP CA C 65 54.180 54.876 -0.696 1
1 685 . 3 1 1 A 66 66 ASP CB C 65 41.160 39.421 1.739 1
1 686 . 3 1 1 A 66 66 ASP N N 65 119.894 119.846 0.048 1
1 687 . 3 1 1 A 67 67 GLY H H 66 8.379 8.257 0.122 1
1 688 . 3 1 1 A 67 67 GLY HA2 H 66 3.997 4.233 -0.236 1
1 689 . 3 1 1 A 67 67 GLY CA C 66 45.216 46.103 -0.887 1
1 690 . 3 1 1 A 67 67 GLY N N 66 108.939 110.916 -1.977 1
1 691 . 3 1 1 A 68 68 VAL H H 67 8.008 8.374 -0.366 1
1 692 . 3 1 1 A 68 68 VAL HA H 67 4.164 4.473 -0.309 1
1 700 . 3 1 1 A 68 68 VAL CA C 67 62.133 60.482 1.651 1
1 701 . 3 1 1 A 68 68 VAL CB C 67 32.509 31.072 1.437 1
1 704 . 3 1 1 A 68 68 VAL N N 67 118.651 116.579 2.072 1
1 705 . 3 1 1 A 69 69 ASP H H 68 8.441 8.084 0.357 1
1 706 . 3 1 1 A 69 69 ASP HA H 68 4.664 4.336 0.328 1
1 709 . 3 1 1 A 69 69 ASP CA C 68 54.211 54.854 -0.643 1
1 710 . 3 1 1 A 69 69 ASP CB C 68 40.995 39.242 1.753 1
1 711 . 3 1 1 A 69 69 ASP N N 68 122.953 121.061 1.892 1
1 712 . 3 1 1 A 70 70 GLY H H 69 8.231 8.363 -0.132 1
1 713 . 3 1 1 A 70 70 GLY HA2 H 69 3.980 3.949 0.031 1
1 714 . 3 1 1 A 70 70 GLY CA C 69 45.347 45.811 -0.464 1
1 715 . 3 1 1 A 70 70 GLY N N 69 108.501 113.554 -5.053 1
1 716 . 3 1 1 A 71 71 LYS H H 70 8.097 7.342 0.755 1
1 717 . 3 1 1 A 71 71 LYS HA H 70 4.552 4.286 0.266 1
1 725 . 3 1 1 A 71 71 LYS CA C 70 55.514 56.095 -0.581 1
1 726 . 3 1 1 A 71 71 LYS CB C 70 33.267 33.234 0.033 1
1 730 . 3 1 1 A 71 71 LYS N N 70 120.089 119.620 0.469 1
1 731 . 3 1 1 A 72 72 MET H H 71 8.485 8.482 0.003 1
1 732 . 3 1 1 A 72 72 MET HA H 71 4.622 4.552 0.070 1
1 740 . 3 1 1 A 72 72 MET CA C 71 54.810 55.236 -0.426 1
1 741 . 3 1 1 A 72 72 MET CB C 71 34.060 33.091 0.969 1
1 744 . 3 1 1 A 72 72 MET N N 71 121.815 121.444 0.371 1
1 745 . 3 1 1 A 73 73 LEU H H 72 8.792 8.889 -0.097 1
1 746 . 3 1 1 A 73 73 LEU HA H 72 5.140 4.952 0.188 1
1 756 . 3 1 1 A 73 73 LEU CA C 72 53.671 53.453 0.218 1
1 757 . 3 1 1 A 73 73 LEU CB C 72 44.258 42.899 1.359 1
1 761 . 3 1 1 A 73 73 LEU N N 72 124.871 125.851 -0.980 1
1 762 . 3 1 1 A 74 74 MET H H 73 9.089 8.735 0.354 1
1 763 . 3 1 1 A 74 74 MET HA H 73 5.741 4.958 0.783 1
1 770 . 3 1 1 A 74 74 MET CA C 73 53.328 54.908 -1.580 1
1 771 . 3 1 1 A 74 74 MET CB C 73 36.526 34.609 1.917 1
1 774 . 3 1 1 A 74 74 MET N N 73 119.200 124.254 -5.054 1
1 775 . 3 1 1 A 75 75 VAL H H 74 10.046 8.862 1.184 1
1 776 . 3 1 1 A 75 75 VAL HA H 74 6.298 5.101 1.197 1
1 784 . 3 1 1 A 75 75 VAL CA C 74 58.377 60.447 -2.070 1
1 785 . 3 1 1 A 75 75 VAL CB C 74 36.528 35.237 1.291 1
1 788 . 3 1 1 A 75 75 VAL N N 74 116.505 120.165 -3.660 1
1 789 . 3 1 1 A 76 76 THR H H 75 8.519 9.154 -0.635 1
1 790 . 3 1 1 A 76 76 THR HA H 75 4.978 5.435 -0.457 1
1 795 . 3 1 1 A 76 76 THR CA C 75 59.451 60.190 -0.739 1
1 796 . 3 1 1 A 76 76 THR CB C 75 71.755 71.133 0.622 1
1 798 . 3 1 1 A 76 76 THR N N 75 111.166 119.810 -8.644 1
1 799 . 3 1 1 A 77 77 LEU H H 76 10.195 9.170 1.025 1
1 800 . 3 1 1 A 77 77 LEU HA H 76 5.175 5.069 0.106 1
1 810 . 3 1 1 A 77 77 LEU CA C 76 55.214 53.598 1.616 1
1 811 . 3 1 1 A 77 77 LEU CB C 76 45.718 43.346 2.372 1
1 815 . 3 1 1 A 77 77 LEU N N 76 121.235 126.698 -5.463 1
1 816 . 3 1 1 A 78 78 SER H H 77 8.596 8.759 -0.163 1
1 817 . 3 1 1 A 78 78 SER HA H 77 5.427 4.832 0.595 1
1 821 . 3 1 1 A 78 78 SER CA C 77 52.060 55.680 -3.620 1
1 822 . 3 1 1 A 78 78 SER CB C 77 63.768 64.115 -0.347 1
1 823 . 3 1 1 A 78 78 SER N N 77 116.108 119.266 -3.158 1
1 824 . 3 1 1 A 79 79 PRO HA H 78 4.257 4.235 0.022 1
1 831 . 3 1 1 A 79 79 PRO CA C 78 62.972 63.525 -0.553 1
1 832 . 3 1 1 A 79 79 PRO CB C 78 31.667 31.204 0.463 1
1 835 . 3 1 1 A 80 80 THR H H 79 6.796 7.135 -0.339 1
1 836 . 3 1 1 A 80 80 THR HA H 79 4.204 4.577 -0.373 1
1 842 . 3 1 1 A 80 80 THR CA C 79 60.016 59.982 0.034 1
1 843 . 3 1 1 A 80 80 THR CB C 79 68.509 71.673 -3.164 1
1 845 . 3 1 1 A 80 80 THR N N 79 110.183 107.545 2.638 1
1 846 . 3 1 1 A 81 81 LYS H H 80 7.638 8.769 -1.131 1
1 847 . 3 1 1 A 81 81 LYS HA H 80 3.744 4.091 -0.347 1
1 853 . 3 1 1 A 81 81 LYS CA C 80 58.578 58.384 0.194 1
1 854 . 3 1 1 A 81 81 LYS CB C 80 32.325 32.305 0.020 1
1 858 . 3 1 1 A 81 81 LYS N N 80 124.973 119.623 5.350 1
1 859 . 3 1 1 A 82 82 ASP H H 81 8.255 7.575 0.680 1
1 860 . 3 1 1 A 82 82 ASP HA H 81 4.277 3.883 0.394 1
1 863 . 3 1 1 A 82 82 ASP CA C 81 57.378 55.421 1.957 1
1 864 . 3 1 1 A 82 82 ASP CB C 81 39.348 40.869 -1.521 1
1 865 . 3 1 1 A 82 82 ASP N N 81 117.344 116.840 0.504 1
1 866 . 3 1 1 A 83 83 PHE H H 82 7.880 7.313 0.567 1
1 867 . 3 1 1 A 83 83 PHE HA H 82 5.243 4.412 0.831 1
1 875 . 3 1 1 A 83 83 PHE CA C 82 56.927 59.203 -2.276 1
1 876 . 3 1 1 A 83 83 PHE CB C 82 41.679 39.244 2.435 1
1 881 . 3 1 1 A 83 83 PHE N N 82 115.687 118.178 -2.491 1
1 882 . 3 1 1 A 84 84 TRP H H 83 8.718 9.110 -0.392 1
1 883 . 3 1 1 A 84 84 TRP HA H 83 5.445 5.083 0.362 1
1 892 . 3 1 1 A 84 84 TRP CA C 83 57.105 56.350 0.755 1
1 893 . 3 1 1 A 84 84 TRP CB C 83 33.602 32.157 1.445 1
1 898 . 3 1 1 A 84 84 TRP N N 83 119.999 124.543 -4.544 1
1 900 . 3 1 1 A 85 85 LEU H H 84 8.738 8.381 0.357 1
1 901 . 3 1 1 A 85 85 LEU HA H 84 4.802 4.592 0.210 1
1 911 . 3 1 1 A 85 85 LEU CA C 84 56.224 54.854 1.370 1
1 912 . 3 1 1 A 85 85 LEU CB C 84 42.532 41.225 1.307 1
1 916 . 3 1 1 A 85 85 LEU N N 84 123.889 123.637 0.252 1
1 917 . 3 1 1 A 86 86 HIS H H 85 9.563 9.159 0.404 1
1 918 . 3 1 1 A 86 86 HIS HA H 85 5.027 5.072 -0.045 1
1 923 . 3 1 1 A 86 86 HIS CA C 85 54.704 54.649 0.055 1
1 924 . 3 1 1 A 86 86 HIS CB C 85 33.214 32.454 0.760 1
1 926 . 3 1 1 A 86 86 HIS N N 85 121.782 123.648 -1.866 1
1 927 . 3 1 1 A 87 87 ALA H H 86 8.544 8.853 -0.309 1
1 928 . 3 1 1 A 87 87 ALA HA H 86 4.614 4.627 -0.013 1
1 932 . 3 1 1 A 87 87 ALA CA C 86 52.098 51.873 0.225 1
1 933 . 3 1 1 A 87 87 ALA CB C 86 20.690 19.340 1.350 1
1 934 . 3 1 1 A 87 87 ALA N N 86 125.230 126.336 -1.106 1
1 935 . 3 1 1 A 88 88 ASN H H 87 8.846 8.745 0.101 1
1 936 . 3 1 1 A 88 88 ASN HA H 87 4.862 4.830 0.032 1
1 939 . 3 1 1 A 88 88 ASN CA C 87 51.444 51.778 -0.334 1
1 940 . 3 1 1 A 88 88 ASN CB C 87 37.171 38.031 -0.860 1
1 941 . 3 1 1 A 88 88 ASN N N 87 121.260 122.774 -1.514 1
1 942 . 3 1 1 A 89 89 ASN H H 88 8.638 8.873 -0.235 1
1 943 . 3 1 1 A 89 89 ASN HA H 88 4.284 4.321 -0.037 1
1 946 . 3 1 1 A 89 89 ASN CA C 88 55.788 54.952 0.836 1
1 947 . 3 1 1 A 89 89 ASN CB C 88 37.818 37.354 0.464 1
1 948 . 3 1 1 A 89 89 ASN N N 88 121.570 123.914 -2.344 1
1 949 . 3 1 1 A 90 90 LYS H H 89 8.196 7.817 0.379 1
1 950 . 3 1 1 A 90 90 LYS HA H 89 4.101 4.045 0.056 1
1 957 . 3 1 1 A 90 90 LYS CA C 89 58.402 58.713 -0.311 1
1 958 . 3 1 1 A 90 90 LYS CB C 89 32.018 32.236 -0.218 1
1 962 . 3 1 1 A 90 90 LYS N N 89 119.566 120.796 -1.230 1
1 963 . 3 1 1 A 91 91 GLU H H 90 6.917 7.687 -0.770 1
1 964 . 3 1 1 A 91 91 GLU HA H 90 4.378 4.638 -0.260 1
1 969 . 3 1 1 A 91 91 GLU CA C 90 54.864 55.596 -0.732 1
1 970 . 3 1 1 A 91 91 GLU CB C 90 29.597 30.830 -1.233 1
1 972 . 3 1 1 A 91 91 GLU N N 90 114.145 115.394 -1.249 1
1 973 . 3 1 1 A 92 92 HIS H H 91 7.738 7.774 -0.036 1
1 974 . 3 1 1 A 92 92 HIS HA H 91 4.181 4.222 -0.041 1
1 978 . 3 1 1 A 92 92 HIS CA C 91 57.189 56.937 0.252 1
1 979 . 3 1 1 A 92 92 HIS CB C 91 26.154 26.818 -0.664 1
1 980 . 3 1 1 A 92 92 HIS N N 91 115.238 116.259 -1.021 1
1 981 . 3 1 1 A 93 93 SER H H 92 8.415 7.300 1.115 1
1 982 . 3 1 1 A 93 93 SER HA H 92 5.185 5.104 0.081 1
1 985 . 3 1 1 A 93 93 SER CA C 92 56.374 57.291 -0.917 1
1 986 . 3 1 1 A 93 93 SER CB C 92 67.005 67.043 -0.038 1
1 987 . 3 1 1 A 93 93 SER N N 92 113.966 110.466 3.500 1
1 988 . 3 1 1 A 94 94 VAL H H 93 8.251 8.874 -0.623 1
1 989 . 3 1 1 A 94 94 VAL HA H 93 4.868 5.224 -0.356 1
1 997 . 3 1 1 A 94 94 VAL CA C 93 60.478 59.871 0.607 1
1 998 . 3 1 1 A 94 94 VAL CB C 93 33.120 34.084 -0.964 1
1 1001 . 3 1 1 A 94 94 VAL N N 93 116.256 121.212 -4.956 1
1 1002 . 3 1 1 A 95 95 GLU H H 94 8.904 9.094 -0.190 1
1 1003 . 3 1 1 A 95 95 GLU HA H 94 4.878 4.994 -0.116 1
1 1008 . 3 1 1 A 95 95 GLU CA C 94 53.455 54.534 -1.079 1
1 1009 . 3 1 1 A 95 95 GLU CB C 94 34.430 33.484 0.946 1
1 1011 . 3 1 1 A 95 95 GLU N N 94 122.142 127.447 -5.305 1
1 1012 . 3 1 1 A 96 96 LEU H H 95 8.237 8.099 0.138 1
1 1013 . 3 1 1 A 96 96 LEU HA H 95 4.974 4.857 0.117 1
1 1023 . 3 1 1 A 96 96 LEU CA C 95 53.731 54.236 -0.505 1
1 1024 . 3 1 1 A 96 96 LEU CB C 95 43.478 41.460 2.018 1
1 1028 . 3 1 1 A 96 96 LEU N N 95 121.305 122.607 -1.302 1
1 1029 . 3 1 1 A 97 97 HIS H H 96 8.294 9.515 -1.221 1
1 1030 . 3 1 1 A 97 97 HIS HA H 96 4.947 5.154 -0.207 1
1 1034 . 3 1 1 A 97 97 HIS CA C 96 54.144 54.429 -0.285 1
1 1035 . 3 1 1 A 97 97 HIS CB C 96 33.344 33.113 0.231 1
1 1036 . 3 1 1 A 97 97 HIS N N 96 119.193 122.201 -3.008 1
1 1037 . 3 1 1 A 98 98 LYS H H 97 8.582 9.178 -0.596 1
1 1038 . 3 1 1 A 98 98 LYS HA H 97 4.564 4.464 0.100 1
1 1046 . 3 1 1 A 98 98 LYS CA C 97 55.190 55.121 0.069 1
1 1047 . 3 1 1 A 98 98 LYS CB C 97 31.941 32.636 -0.695 1
1 1051 . 3 1 1 A 98 98 LYS N N 97 127.478 123.757 3.721 1
1 1052 . 3 1 1 A 99 99 CYS H H 98 8.695 8.566 0.129 1
1 1053 . 3 1 1 A 99 99 CYS HA H 98 4.822 4.939 -0.117 1
1 1056 . 3 1 1 A 99 99 CYS CA C 98 57.391 58.142 -0.751 1
1 1057 . 3 1 1 A 99 99 CYS CB C 98 30.916 30.058 0.858 1
1 1058 . 3 1 1 A 99 99 CYS N N 98 122.622 125.618 -2.996 1
1 1059 . 3 1 1 A 100 100 GLU H H 99 8.251 8.668 -0.417 1
1 1060 . 3 1 1 A 100 100 GLU HA H 99 4.513 4.405 0.108 1
1 1064 . 3 1 1 A 100 100 GLU CA C 99 54.674 56.535 -1.861 1
1 1065 . 3 1 1 A 100 100 GLU CB C 99 31.421 30.743 0.678 1
1 1067 . 3 1 1 A 100 100 GLU N N 99 121.252 122.150 -0.898 1
1 1068 . 3 1 1 A 101 101 LYS H H 100 8.195 9.012 -0.817 1
1 1069 . 3 1 1 A 101 101 LYS HA H 100 3.953 4.021 -0.068 1
1 1077 . 3 1 1 A 101 101 LYS CA C 100 55.042 61.389 -6.347 1
1 1078 . 3 1 1 A 101 101 LYS CB C 100 31.473 30.134 1.339 1
1 1082 . 3 1 1 A 101 101 LYS N N 100 118.588 123.746 -5.158 1
1 1083 . 3 1 1 A 102 102 PRO HA H 101 4.447 4.395 0.052 1
1 1090 . 3 1 1 A 102 102 PRO CA C 101 61.513 62.524 -1.011 1
1 1091 . 3 1 1 A 102 102 PRO CB C 101 34.073 30.119 3.954 1
1 1094 . 3 1 1 A 103 103 LEU H H 102 8.384 7.932 0.452 1
1 1095 . 3 1 1 A 103 103 LEU HA H 102 4.175 4.290 -0.115 1
1 1105 . 3 1 1 A 103 103 LEU CA C 102 52.733 53.737 -1.004 1
1 1106 . 3 1 1 A 103 103 LEU CB C 102 41.000 41.444 -0.444 1
1 1110 . 3 1 1 A 103 103 LEU N N 102 123.679 124.696 -1.017 1
1 1111 . 3 1 1 A 104 104 PRO HA H 103 4.658 4.611 0.047 1
1 1118 . 3 1 1 A 104 104 PRO CA C 103 61.564 62.411 -0.847 1
1 1119 . 3 1 1 A 104 104 PRO CB C 103 32.310 32.809 -0.499 1
1 1122 . 3 1 1 A 105 105 ASP H H 104 8.605 8.644 -0.039 1
1 1123 . 3 1 1 A 105 105 ASP HA H 104 4.275 4.450 -0.175 1
1 1126 . 3 1 1 A 105 105 ASP CA C 104 57.659 56.331 1.328 1
1 1127 . 3 1 1 A 105 105 ASP CB C 104 40.754 40.267 0.487 1
1 1128 . 3 1 1 A 105 105 ASP N N 104 119.037 120.574 -1.537 1
1 1129 . 3 1 1 A 106 106 GLN H H 105 8.330 8.047 0.283 1
1 1130 . 3 1 1 A 106 106 GLN HA H 105 4.189 4.124 0.065 1
1 1135 . 3 1 1 A 106 106 GLN CA C 105 58.516 55.923 2.593 1
1 1136 . 3 1 1 A 106 106 GLN CB C 105 27.206 28.505 -1.299 1
1 1138 . 3 1 1 A 106 106 GLN N N 105 113.235 116.402 -3.167 1
1 1139 . 3 1 1 A 107 107 ALA H H 106 7.763 7.387 0.376 1
1 1140 . 3 1 1 A 107 107 ALA HA H 106 4.862 3.782 1.080 1
1 1144 . 3 1 1 A 107 107 ALA CA C 106 50.856 53.752 -2.896 1
1 1145 . 3 1 1 A 107 107 ALA CB C 106 18.420 18.841 -0.421 1
1 1146 . 3 1 1 A 107 107 ALA N N 106 121.188 121.776 -0.588 1
1 1147 . 3 1 1 A 108 108 PHE H H 107 7.291 7.539 -0.248 1
1 1148 . 3 1 1 A 108 108 PHE HA H 107 4.675 4.302 0.373 1
1 1156 . 3 1 1 A 108 108 PHE CA C 107 57.225 57.267 -0.042 1
1 1157 . 3 1 1 A 108 108 PHE CB C 107 41.449 39.379 2.070 1
1 1163 . 3 1 1 A 108 108 PHE N N 107 114.254 115.693 -1.439 1
1 1164 . 3 1 1 A 109 109 PHE H H 108 9.089 8.940 0.149 1
1 1165 . 3 1 1 A 109 109 PHE HA H 108 5.216 5.217 -0.001 1
1 1173 . 3 1 1 A 109 109 PHE CA C 108 55.752 56.823 -1.071 1
1 1174 . 3 1 1 A 109 109 PHE CB C 108 41.744 41.030 0.714 1
1 1180 . 3 1 1 A 109 109 PHE N N 108 119.202 122.085 -2.883 1
1 1181 . 3 1 1 A 110 110 VAL H H 109 10.389 8.879 1.510 1
1 1182 . 3 1 1 A 110 110 VAL HA H 109 4.299 4.046 0.253 1
1 1190 . 3 1 1 A 110 110 VAL CA C 109 62.758 63.210 -0.452 1
1 1191 . 3 1 1 A 110 110 VAL CB C 109 33.099 31.132 1.967 1
1 1194 . 3 1 1 A 110 110 VAL N N 109 125.234 124.969 0.265 1
1 1195 . 3 1 1 A 111 111 LEU H H 110 8.568 8.585 -0.017 1
1 1196 . 3 1 1 A 111 111 LEU HA H 110 4.872 4.650 0.222 1
1 1206 . 3 1 1 A 111 111 LEU CA C 110 54.077 55.995 -1.918 1
1 1207 . 3 1 1 A 111 111 LEU CB C 110 43.562 42.283 1.279 1
1 1211 . 3 1 1 A 111 111 LEU N N 110 130.826 130.140 0.686 1
1 1212 . 3 1 1 A 112 112 HIS H H 111 9.070 9.010 0.060 1
1 1213 . 3 1 1 A 112 112 HIS HA H 111 4.917 5.049 -0.132 1
1 1217 . 3 1 1 A 112 112 HIS CA C 111 54.229 54.607 -0.378 1
1 1218 . 3 1 1 A 112 112 HIS CB C 111 31.745 33.445 -1.700 1
1 1219 . 3 1 1 A 112 112 HIS N N 111 124.953 125.614 -0.661 1
1 1220 . 3 1 1 A 113 113 ASN H H 112 9.018 9.098 -0.080 1
1 1221 . 3 1 1 A 113 113 ASN HA H 112 4.912 5.006 -0.094 1
1 1224 . 3 1 1 A 113 113 ASN CA C 112 54.151 53.116 1.035 1
1 1225 . 3 1 1 A 113 113 ASN CB C 112 38.868 39.131 -0.263 1
1 1226 . 3 1 1 A 113 113 ASN N N 112 122.645 121.639 1.006 1
1 1227 . 3 1 1 A 114 114 MET H H 113 8.314 8.308 0.006 1
1 1228 . 3 1 1 A 114 114 MET HA H 113 4.891 4.506 0.385 1
1 1236 . 3 1 1 A 114 114 MET CA C 113 53.171 57.942 -4.771 1
1 1237 . 3 1 1 A 114 114 MET CB C 113 32.922 33.844 -0.922 1
1 1240 . 3 1 1 A 114 114 MET N N 113 123.103 123.766 -0.663 1
1 1241 . 3 1 1 A 115 115 HIS H H 114 7.453 8.241 -0.788 1
1 1242 . 3 1 1 A 115 115 HIS HA H 114 4.664 4.885 -0.221 1
1 1246 . 3 1 1 A 115 115 HIS CA C 114 55.572 55.491 0.081 1
1 1247 . 3 1 1 A 115 115 HIS CB C 114 30.856 31.548 -0.692 1
1 1248 . 3 1 1 A 115 115 HIS N N 114 115.450 115.351 0.099 1
1 1250 . 3 1 1 A 116 116 SER CB C 115 61.131 62.800 -1.669 1
1 1251 . 3 1 1 A 117 117 ASN H H 116 8.912 7.961 0.951 1
1 1252 . 3 1 1 A 117 117 ASN HA H 116 4.556 4.896 -0.340 1
1 1255 . 3 1 1 A 117 117 ASN CA C 116 54.106 53.359 0.747 1
1 1256 . 3 1 1 A 117 117 ASN CB C 116 37.615 40.855 -3.240 1
1 1257 . 3 1 1 A 117 117 ASN N N 116 113.703 115.249 -1.546 1
1 1258 . 3 1 1 A 118 118 CYS H H 117 7.532 7.790 -0.258 1
1 1259 . 3 1 1 A 118 118 CYS HA H 117 5.316 4.869 0.447 1
1 1262 . 3 1 1 A 118 118 CYS CA C 117 58.639 59.640 -1.001 1
1 1263 . 3 1 1 A 118 118 CYS CB C 117 30.949 27.829 3.120 1
1 1264 . 3 1 1 A 118 118 CYS N N 117 115.213 119.181 -3.968 1
1 1265 . 3 1 1 A 119 119 VAL H H 118 9.617 9.141 0.476 1
1 1266 . 3 1 1 A 119 119 VAL HA H 118 5.397 5.157 0.240 1
1 1274 . 3 1 1 A 119 119 VAL CA C 118 58.788 59.339 -0.551 1
1 1275 . 3 1 1 A 119 119 VAL CB C 118 35.745 35.856 -0.111 1
1 1278 . 3 1 1 A 119 119 VAL N N 118 116.144 120.218 -4.074 1
1 1279 . 3 1 1 A 120 120 SER H H 119 8.578 8.639 -0.061 1
1 1280 . 3 1 1 A 120 120 SER HA H 119 5.089 5.280 -0.191 1
1 1283 . 3 1 1 A 120 120 SER CA C 119 57.311 56.293 1.018 1
1 1284 . 3 1 1 A 120 120 SER CB C 119 67.751 65.522 2.229 1
1 1285 . 3 1 1 A 120 120 SER N N 119 113.930 117.063 -3.133 1
1 1286 . 3 1 1 A 121 121 PHE H H 120 10.612 9.158 1.454 1
1 1287 . 3 1 1 A 121 121 PHE HA H 120 5.365 5.171 0.194 1
1 1294 . 3 1 1 A 121 121 PHE CA C 120 55.797 56.280 -0.483 1
1 1295 . 3 1 1 A 121 121 PHE CB C 120 41.542 39.706 1.836 1
1 1300 . 3 1 1 A 121 121 PHE N N 120 120.777 124.083 -3.306 1
1 1301 . 3 1 1 A 122 122 GLU H H 121 9.509 9.084 0.425 1
1 1302 . 3 1 1 A 122 122 GLU HA H 121 4.537 4.698 -0.161 1
1 1307 . 3 1 1 A 122 122 GLU CA C 121 53.200 56.114 -2.914 1
1 1308 . 3 1 1 A 122 122 GLU CB C 121 32.943 30.938 2.005 1
1 1310 . 3 1 1 A 122 122 GLU N N 121 126.070 126.170 -0.100 1
1 1311 . 3 1 1 A 123 123 CYS H H 122 9.405 8.923 0.482 1
1 1312 . 3 1 1 A 123 123 CYS HA H 122 4.065 4.810 -0.745 1
1 1315 . 3 1 1 A 123 123 CYS CA C 122 61.504 58.510 2.994 1
1 1316 . 3 1 1 A 123 123 CYS CB C 122 27.626 28.054 -0.428 1
1 1317 . 3 1 1 A 123 123 CYS N N 122 127.122 125.686 1.436 1
1 1318 . 3 1 1 A 124 124 LYS H H 123 7.533 8.836 -1.303 1
1 1319 . 3 1 1 A 124 124 LYS HA H 123 3.831 4.077 -0.246 1
1 1326 . 3 1 1 A 124 124 LYS CA C 123 59.245 58.557 0.688 1
1 1327 . 3 1 1 A 124 124 LYS CB C 123 32.946 32.509 0.437 1
1 1331 . 3 1 1 A 124 124 LYS N N 123 125.643 126.427 -0.784 1
1 1332 . 3 1 1 A 125 125 THR H H 124 8.020 7.654 0.366 1
1 1333 . 3 1 1 A 125 125 THR HA H 124 4.216 4.338 -0.122 1
1 1338 . 3 1 1 A 125 125 THR CA C 124 61.424 62.395 -0.971 1
1 1339 . 3 1 1 A 125 125 THR CB C 124 68.505 69.456 -0.951 1
1 1341 . 3 1 1 A 125 125 THR N N 124 102.851 108.081 -5.230 1
1 1342 . 3 1 1 A 126 126 ASP H H 125 6.456 7.923 -1.467 1
1 1343 . 3 1 1 A 126 126 ASP HA H 125 5.125 5.062 0.063 1
1 1346 . 3 1 1 A 126 126 ASP CA C 125 51.060 51.255 -0.195 1
1 1347 . 3 1 1 A 126 126 ASP CB C 125 42.308 41.659 0.649 1
1 1348 . 3 1 1 A 126 126 ASP N N 125 119.891 121.185 -1.294 1
1 1349 . 3 1 1 A 127 127 PRO HA H 126 4.366 4.256 0.110 1
1 1356 . 3 1 1 A 127 127 PRO CA C 126 63.377 63.771 -0.394 1
1 1357 . 3 1 1 A 127 127 PRO CB C 126 31.816 31.306 0.510 1
1 1360 . 3 1 1 A 128 128 GLY H H 127 10.553 8.623 1.930 1
1 1361 . 3 1 1 A 128 128 GLY HA2 H 127 3.775 3.856 -0.081 1
1 1362 . 3 1 1 A 128 128 GLY HA3 H 127 4.318 3.869 0.449 1
1 1363 . 3 1 1 A 128 128 GLY CA C 127 44.954 45.191 -0.237 1
1 1364 . 3 1 1 A 128 128 GLY N N 127 113.361 112.584 0.777 1
1 1365 . 3 1 1 A 129 129 VAL H H 128 7.846 7.219 0.627 1
1 1366 . 3 1 1 A 129 129 VAL HA H 128 4.794 4.406 0.388 1
1 1374 . 3 1 1 A 129 129 VAL CA C 128 61.754 61.180 0.574 1
1 1375 . 3 1 1 A 129 129 VAL CB C 128 31.449 33.877 -2.428 1
1 1378 . 3 1 1 A 129 129 VAL N N 128 121.005 121.920 -0.915 1
1 1379 . 3 1 1 A 130 130 PHE H H 129 9.293 9.235 0.058 1
1 1380 . 3 1 1 A 130 130 PHE HA H 129 5.819 5.498 0.321 1
1 1388 . 3 1 1 A 130 130 PHE CA C 129 55.600 56.530 -0.930 1
1 1389 . 3 1 1 A 130 130 PHE CB C 129 42.773 43.137 -0.364 1
1 1395 . 3 1 1 A 130 130 PHE N N 129 126.384 125.271 1.113 1
1 1396 . 3 1 1 A 131 131 ILE H H 130 8.555 8.561 -0.006 1
1 1397 . 3 1 1 A 131 131 ILE HA H 130 4.375 4.448 -0.073 1
1 1407 . 3 1 1 A 131 131 ILE CA C 130 63.278 61.680 1.598 1
1 1408 . 3 1 1 A 131 131 ILE CB C 130 37.850 38.102 -0.252 1
1 1412 . 3 1 1 A 131 131 ILE N N 130 118.433 124.405 -5.972 1
1 1413 . 3 1 1 A 132 132 GLY H H 131 9.225 8.415 0.810 1
1 1414 . 3 1 1 A 132 132 GLY HA2 H 131 3.693 4.349 -0.656 1
1 1415 . 3 1 1 A 132 132 GLY HA3 H 131 5.248 4.575 0.673 1
1 1416 . 3 1 1 A 132 132 GLY CA C 131 45.218 46.059 -0.841 1
1 1417 . 3 1 1 A 132 132 GLY N N 131 113.442 113.312 0.130 1
1 1418 . 3 1 1 A 133 133 VAL H H 132 8.177 8.757 -0.580 1
1 1419 . 3 1 1 A 133 133 VAL HA H 132 4.710 4.460 0.250 1
1 1427 . 3 1 1 A 133 133 VAL CA C 132 61.537 63.188 -1.651 1
1 1428 . 3 1 1 A 133 133 VAL CB C 132 33.281 30.826 2.455 1
1 1431 . 3 1 1 A 133 133 VAL N N 132 118.438 121.263 -2.825 1
1 1432 . 3 1 1 A 134 134 LYS H H 133 8.752 8.732 0.020 1
1 1433 . 3 1 1 A 134 134 LYS HA H 133 4.472 4.223 0.249 1
1 1440 . 3 1 1 A 134 134 LYS CA C 133 55.257 58.606 -3.349 1
1 1441 . 3 1 1 A 134 134 LYS CB C 133 35.500 33.093 2.407 1
1 1445 . 3 1 1 A 134 134 LYS N N 133 127.706 129.952 -2.246 1
1 1446 . 3 1 1 A 135 135 ASP H H 134 9.321 7.907 1.414 1
1 1447 . 3 1 1 A 135 135 ASP HA H 134 4.230 4.529 -0.299 1
1 1450 . 3 1 1 A 135 135 ASP CA C 134 55.965 55.882 0.083 1
1 1451 . 3 1 1 A 135 135 ASP CB C 134 39.212 41.447 -2.235 1
1 1452 . 3 1 1 A 135 135 ASP N N 134 126.815 118.151 8.664 1
1 1453 . 3 1 1 A 136 136 ASN H H 135 8.603 7.884 0.719 1
1 1454 . 3 1 1 A 136 136 ASN HA H 135 4.380 4.901 -0.521 1
1 1457 . 3 1 1 A 136 136 ASN CA C 135 54.117 53.009 1.108 1
1 1458 . 3 1 1 A 136 136 ASN CB C 135 37.384 40.233 -2.849 1
1 1459 . 3 1 1 A 136 136 ASN N N 135 113.023 112.804 0.219 1
1 1460 . 3 1 1 A 137 137 HIS H H 136 8.112 7.256 0.856 1
1 1461 . 3 1 1 A 137 137 HIS HA H 136 5.116 4.990 0.126 1
1 1465 . 3 1 1 A 137 137 HIS CA C 136 54.190 54.237 -0.047 1
1 1466 . 3 1 1 A 137 137 HIS CB C 136 31.681 31.885 -0.204 1
1 1467 . 3 1 1 A 137 137 HIS N N 136 115.753 116.139 -0.386 1
1 1468 . 3 1 1 A 138 138 LEU H H 137 8.553 8.640 -0.087 1
1 1469 . 3 1 1 A 138 138 LEU HA H 137 5.251 4.596 0.655 1
1 1479 . 3 1 1 A 138 138 LEU CA C 137 54.147 55.300 -1.153 1
1 1480 . 3 1 1 A 138 138 LEU CB C 137 42.849 42.495 0.354 1
1 1484 . 3 1 1 A 138 138 LEU N N 137 118.446 121.028 -2.582 1
1 1485 . 3 1 1 A 139 139 ALA H H 138 9.357 8.853 0.504 1
1 1486 . 3 1 1 A 139 139 ALA HA H 138 4.760 5.056 -0.296 1
1 1490 . 3 1 1 A 139 139 ALA CA C 138 51.091 50.699 0.392 1
1 1491 . 3 1 1 A 139 139 ALA CB C 138 22.924 23.612 -0.688 1
1 1492 . 3 1 1 A 139 139 ALA N N 138 126.689 125.683 1.006 1
1 1493 . 3 1 1 A 140 140 LEU H H 139 7.287 8.717 -1.430 1
1 1494 . 3 1 1 A 140 140 LEU HA H 139 5.278 4.612 0.666 1
1 1504 . 3 1 1 A 140 140 LEU CA C 139 53.026 54.466 -1.440 1
1 1505 . 3 1 1 A 140 140 LEU CB C 139 42.025 40.827 1.198 1
1 1509 . 3 1 1 A 140 140 LEU N N 139 116.219 120.678 -4.459 1
1 1510 . 3 1 1 A 141 141 ILE H H 140 9.676 8.758 0.918 1
1 1511 . 3 1 1 A 141 141 ILE HA H 140 4.321 4.581 -0.260 1
1 1521 . 3 1 1 A 141 141 ILE CA C 140 59.331 61.043 -1.712 1
1 1522 . 3 1 1 A 141 141 ILE CB C 140 40.745 38.436 2.309 1
1 1526 . 3 1 1 A 141 141 ILE N N 140 124.052 126.014 -1.962 1
1 1527 . 3 1 1 A 142 142 LYS H H 141 8.665 8.781 -0.116 1
1 1528 . 3 1 1 A 142 142 LYS HA H 141 5.053 4.655 0.398 1
1 1534 . 3 1 1 A 142 142 LYS CA C 141 55.586 56.316 -0.730 1
1 1535 . 3 1 1 A 142 142 LYS CB C 141 32.709 32.983 -0.274 1
1 1539 . 3 1 1 A 142 142 LYS N N 141 128.856 128.690 0.166 1
1 1540 . 3 1 1 A 143 143 VAL H H 142 8.757 8.845 -0.088 1
1 1541 . 3 1 1 A 143 143 VAL HA H 142 4.223 4.900 -0.677 1
1 1549 . 3 1 1 A 143 143 VAL CA C 142 62.032 61.118 0.914 1
1 1550 . 3 1 1 A 143 143 VAL CB C 142 33.008 34.609 -1.601 1
1 1553 . 3 1 1 A 143 143 VAL N N 142 127.220 127.239 -0.019 1
1 1554 . 3 1 1 A 144 144 ASP H H 143 8.595 9.028 -0.433 1
1 1555 . 3 1 1 A 144 144 ASP HA H 143 4.698 5.496 -0.798 1
1 1557 . 3 1 1 A 144 144 ASP CB C 143 41.517 43.634 -2.117 1
1 1558 . 3 1 1 A 144 144 ASP N N 143 125.250 126.392 -1.142 1
1 1559 . 3 1 1 A 145 145 SER H H 144 8.296 8.722 -0.426 1
1 1560 . 3 1 1 A 145 145 SER HA H 144 4.455 4.593 -0.138 1
1 1563 . 3 1 1 A 145 145 SER CA C 144 58.814 58.151 0.663 1
1 1564 . 3 1 1 A 145 145 SER CB C 144 63.202 64.353 -1.151 1
1 1565 . 3 1 1 A 145 145 SER N N 144 116.695 117.293 -0.598 1
1 1566 . 3 1 1 A 146 146 SER H H 145 8.512 8.874 -0.362 1
1 1567 . 3 1 1 A 146 146 SER HA H 145 4.393 4.350 0.043 1
1 1570 . 3 1 1 A 146 146 SER CA C 145 59.286 60.363 -1.077 1
1 1571 . 3 1 1 A 146 146 SER CB C 145 63.396 62.854 0.542 1
1 1572 . 3 1 1 A 146 146 SER N N 145 117.509 118.293 -0.784 1
1 1573 . 3 1 1 A 147 147 GLU H H 146 8.145 8.493 -0.348 1
1 1574 . 3 1 1 A 147 147 GLU HA H 146 4.351 4.167 0.184 1
1 1578 . 3 1 1 A 147 147 GLU CA C 146 56.389 58.840 -2.451 1
1 1579 . 3 1 1 A 147 147 GLU N N 146 121.023 121.113 -0.090 1
1 1580 . 3 1 1 A 148 148 ASN H H 147 8.145 8.113 0.032 1
1 1581 . 3 1 1 A 148 148 ASN HA H 147 4.584 4.874 -0.290 1
1 1584 . 3 1 1 A 148 148 ASN CA C 147 53.643 53.542 0.101 1
1 1585 . 3 1 1 A 148 148 ASN CB C 147 38.423 38.902 -0.479 1
1 1586 . 3 1 1 A 148 148 ASN N N 147 118.043 118.090 -0.047 1
1 1587 . 3 1 1 A 149 149 LEU H H 148 7.953 7.632 0.321 1
1 1588 . 3 1 1 A 149 149 LEU HA H 148 4.294 4.050 0.244 1
1 1598 . 3 1 1 A 149 149 LEU CA C 148 55.249 57.122 -1.873 1
1 1599 . 3 1 1 A 149 149 LEU CB C 148 42.000 41.609 0.391 1
1 1603 . 3 1 1 A 149 149 LEU N N 148 120.366 120.979 -0.613 1
1 1604 . 3 1 1 A 150 150 CYS H H 149 8.141 7.703 0.438 1
1 1605 . 3 1 1 A 150 150 CYS HA H 149 4.517 4.699 -0.182 1
1 1608 . 3 1 1 A 150 150 CYS CA C 149 57.817 57.493 0.324 1
1 1609 . 3 1 1 A 150 150 CYS CB C 149 27.529 27.758 -0.229 1
1 1610 . 3 1 1 A 150 150 CYS N N 149 118.879 116.769 2.110 1
1 1611 . 3 1 1 A 151 151 THR H H 150 7.892 8.584 -0.692 1
1 1612 . 3 1 1 A 151 151 THR HA H 150 4.191 4.783 -0.592 1
1 1617 . 3 1 1 A 151 151 THR CA C 150 61.680 61.677 0.003 1
1 1618 . 3 1 1 A 151 151 THR CB C 150 68.930 71.202 -2.272 1
1 1620 . 3 1 1 A 151 151 THR N N 150 117.354 120.422 -3.068 1
1 1621 . 3 1 1 A 152 152 GLU H H 151 8.547 8.925 -0.378 1
1 1622 . 3 1 1 A 152 152 GLU HA H 151 3.600 3.871 -0.271 1
1 1627 . 3 1 1 A 152 152 GLU CA C 151 59.126 58.803 0.323 1
1 1628 . 3 1 1 A 152 152 GLU CB C 151 28.575 29.259 -0.684 1
1 1630 . 3 1 1 A 152 152 GLU N N 151 122.526 127.601 -5.075 1
1 1631 . 3 1 1 A 153 153 ASN H H 152 8.140 8.122 0.018 1
1 1632 . 3 1 1 A 153 153 ASN HA H 152 4.525 4.489 0.036 1
1 1635 . 3 1 1 A 153 153 ASN CA C 152 54.838 56.229 -1.391 1
1 1636 . 3 1 1 A 153 153 ASN CB C 152 37.230 38.158 -0.928 1
1 1637 . 3 1 1 A 153 153 ASN N N 152 113.916 117.789 -3.873 1
1 1638 . 3 1 1 A 154 154 ILE H H 153 6.885 7.522 -0.637 1
1 1639 . 3 1 1 A 154 154 ILE HA H 153 5.150 4.372 0.778 1
1 1649 . 3 1 1 A 154 154 ILE CA C 153 60.523 61.697 -1.174 1
1 1650 . 3 1 1 A 154 154 ILE CB C 153 38.399 37.338 1.061 1
1 1654 . 3 1 1 A 154 154 ILE N N 153 108.606 112.651 -4.045 1
1 1655 . 3 1 1 A 155 155 LEU H H 154 7.162 7.302 -0.140 1
1 1656 . 3 1 1 A 155 155 LEU HA H 154 4.654 4.736 -0.082 1
1 1666 . 3 1 1 A 155 155 LEU CA C 154 54.179 53.377 0.802 1
1 1667 . 3 1 1 A 155 155 LEU CB C 154 43.178 42.569 0.609 1
1 1671 . 3 1 1 A 155 155 LEU N N 154 123.152 124.248 -1.096 1
1 1672 . 3 1 1 A 156 156 PHE H H 155 9.292 9.375 -0.083 1
1 1673 . 3 1 1 A 156 156 PHE HA H 155 5.175 5.359 -0.184 1
1 1681 . 3 1 1 A 156 156 PHE CA C 155 56.409 56.547 -0.138 1
1 1682 . 3 1 1 A 156 156 PHE CB C 155 43.001 43.203 -0.202 1
1 1688 . 3 1 1 A 156 156 PHE N N 155 119.900 124.175 -4.275 1
1 1689 . 3 1 1 A 157 157 LYS H H 156 9.195 8.878 0.317 1
1 1690 . 3 1 1 A 157 157 LYS HA H 156 4.966 5.105 -0.139 1
1 1698 . 3 1 1 A 157 157 LYS CA C 156 55.200 55.035 0.165 1
1 1699 . 3 1 1 A 157 157 LYS CB C 156 35.002 35.747 -0.745 1
1 1703 . 3 1 1 A 157 157 LYS N N 156 118.435 119.413 -0.978 1
1 1704 . 3 1 1 A 158 158 LEU H H 157 8.769 9.122 -0.353 1
1 1705 . 3 1 1 A 158 158 LEU HA H 157 5.356 5.348 0.008 1
1 1715 . 3 1 1 A 158 158 LEU CA C 157 53.173 53.475 -0.302 1
1 1716 . 3 1 1 A 158 158 LEU CB C 157 44.220 45.187 -0.967 1
1 1720 . 3 1 1 A 158 158 LEU N N 157 122.607 124.660 -2.053 1
1 1721 . 3 1 1 A 159 159 SER H H 158 8.462 8.819 -0.357 1
1 1722 . 3 1 1 A 159 159 SER HA H 158 4.854 5.058 -0.204 1
1 1724 . 3 1 1 A 159 159 SER CA C 158 57.305 56.879 0.426 1
1 1725 . 3 1 1 A 159 159 SER CB C 158 64.330 65.623 -1.293 1
1 1726 . 3 1 1 A 159 159 SER N N 158 116.051 117.441 -1.390 1
1 1727 . 3 1 1 A 160 160 GLU H H 159 9.008 8.969 0.039 1
1 1728 . 3 1 1 A 160 160 GLU HA H 159 4.606 4.473 0.133 1
1 1732 . 3 1 1 A 160 160 GLU CA C 159 56.956 55.905 1.051 1
1 1733 . 3 1 1 A 160 160 GLU CB C 159 30.452 28.600 1.852 1
1 1735 . 3 1 1 A 160 160 GLU N N 159 124.532 129.161 -4.629 1
1 1 . 4 1 1 A 4 4 ILE H H 3 8.198 8.251 -0.053 1
1 2 . 4 1 1 A 4 4 ILE HA H 3 4.246 4.080 0.166 1
1 12 . 4 1 1 A 4 4 ILE CA C 3 61.002 63.115 -2.113 1
1 13 . 4 1 1 A 4 4 ILE CB C 3 38.400 38.226 0.174 1
1 17 . 4 1 1 A 4 4 ILE N N 3 121.904 120.453 1.451 1
1 18 . 4 1 1 A 5 5 THR H H 4 8.045 7.873 0.172 1
1 19 . 4 1 1 A 5 5 THR HA H 4 4.328 4.460 -0.132 1
1 24 . 4 1 1 A 5 5 THR CA C 4 61.754 60.954 0.800 1
1 25 . 4 1 1 A 5 5 THR CB C 4 69.755 69.589 0.166 1
1 27 . 4 1 1 A 5 5 THR N N 4 117.078 112.130 4.948 1
1 28 . 4 1 1 A 6 6 GLY H H 5 8.294 8.361 -0.067 1
1 29 . 4 1 1 A 6 6 GLY HA2 H 5 3.978 3.891 0.087 1
1 30 . 4 1 1 A 6 6 GLY HA3 H 5 4.040 3.898 0.142 1
1 31 . 4 1 1 A 6 6 GLY CA C 5 45.204 47.040 -1.836 1
1 32 . 4 1 1 A 6 6 GLY N N 5 110.823 114.890 -4.067 1
1 33 . 4 1 1 A 7 7 ILE H H 6 7.850 7.664 0.186 1
1 34 . 4 1 1 A 7 7 ILE HA H 6 4.507 4.266 0.241 1
1 44 . 4 1 1 A 7 7 ILE CA C 6 61.058 60.968 0.090 1
1 45 . 4 1 1 A 7 7 ILE CB C 6 39.405 38.803 0.602 1
1 49 . 4 1 1 A 7 7 ILE N N 6 117.894 118.557 -0.663 1
1 50 . 4 1 1 A 8 8 SER H H 7 8.484 8.582 -0.098 1
1 51 . 4 1 1 A 8 8 SER HA H 7 5.138 5.103 0.035 1
1 54 . 4 1 1 A 8 8 SER CA C 7 55.586 55.854 -0.268 1
1 55 . 4 1 1 A 8 8 SER CB C 7 63.867 65.573 -1.706 1
1 56 . 4 1 1 A 8 8 SER N N 7 119.581 119.181 0.400 1
1 57 . 4 1 1 A 9 9 PRO HA H 8 4.070 4.268 -0.198 1
1 64 . 4 1 1 A 9 9 PRO CA C 8 62.783 62.484 0.299 1
1 65 . 4 1 1 A 9 9 PRO CB C 8 32.390 31.893 0.497 1
1 68 . 4 1 1 A 10 10 ILE H H 9 8.916 8.680 0.236 1
1 69 . 4 1 1 A 10 10 ILE HA H 9 4.231 4.144 0.087 1
1 79 . 4 1 1 A 10 10 ILE CA C 9 62.297 62.881 -0.584 1
1 80 . 4 1 1 A 10 10 ILE CB C 9 39.145 38.930 0.215 1
1 84 . 4 1 1 A 10 10 ILE N N 9 119.667 118.909 0.758 1
1 85 . 4 1 1 A 11 11 THR H H 10 7.263 7.472 -0.209 1
1 86 . 4 1 1 A 11 11 THR HA H 10 4.577 4.602 -0.025 1
1 91 . 4 1 1 A 11 11 THR CA C 10 60.889 61.318 -0.429 1
1 92 . 4 1 1 A 11 11 THR CB C 10 69.698 71.200 -1.502 1
1 94 . 4 1 1 A 11 11 THR N N 10 112.847 112.903 -0.056 1
1 95 . 4 1 1 A 12 12 GLU H H 11 8.157 9.059 -0.902 1
1 96 . 4 1 1 A 12 12 GLU HA H 11 5.689 5.405 0.284 1
1 100 . 4 1 1 A 12 12 GLU CA C 11 54.700 55.235 -0.535 1
1 101 . 4 1 1 A 12 12 GLU CB C 11 33.384 32.852 0.532 1
1 103 . 4 1 1 A 12 12 GLU N N 11 122.192 127.175 -4.983 1
1 104 . 4 1 1 A 13 13 TYR H H 12 8.917 8.601 0.316 1
1 105 . 4 1 1 A 13 13 TYR HA H 12 4.919 5.289 -0.370 1
1 112 . 4 1 1 A 13 13 TYR CA C 12 56.453 55.637 0.816 1
1 113 . 4 1 1 A 13 13 TYR CB C 12 40.158 41.395 -1.237 1
1 118 . 4 1 1 A 13 13 TYR N N 12 119.678 119.854 -0.176 1
1 119 . 4 1 1 A 14 14 LEU H H 13 8.420 8.556 -0.136 1
1 120 . 4 1 1 A 14 14 LEU HA H 13 5.201 4.660 0.541 1
1 130 . 4 1 1 A 14 14 LEU CA C 13 53.778 54.789 -1.011 1
1 131 . 4 1 1 A 14 14 LEU CB C 13 43.570 42.488 1.082 1
1 135 . 4 1 1 A 14 14 LEU N N 13 121.655 121.891 -0.236 1
1 136 . 4 1 1 A 15 15 ALA H H 14 9.227 8.790 0.437 1
1 137 . 4 1 1 A 15 15 ALA HA H 14 4.979 5.171 -0.192 1
1 141 . 4 1 1 A 15 15 ALA CA C 14 50.832 51.160 -0.328 1
1 142 . 4 1 1 A 15 15 ALA CB C 14 23.479 23.379 0.100 1
1 143 . 4 1 1 A 15 15 ALA N N 14 124.927 125.909 -0.982 1
1 144 . 4 1 1 A 16 16 SER H H 15 9.006 8.938 0.068 1
1 145 . 4 1 1 A 16 16 SER HA H 15 5.044 5.283 -0.239 1
1 148 . 4 1 1 A 16 16 SER CA C 15 57.379 56.241 1.138 1
1 149 . 4 1 1 A 16 16 SER CB C 15 64.811 64.701 0.110 1
1 150 . 4 1 1 A 16 16 SER N N 15 115.217 115.692 -0.475 1
1 151 . 4 1 1 A 17 17 LEU H H 16 9.299 8.750 0.549 1
1 152 . 4 1 1 A 17 17 LEU HA H 16 5.350 4.551 0.799 1
1 162 . 4 1 1 A 17 17 LEU CA C 16 54.150 55.203 -1.053 1
1 163 . 4 1 1 A 17 17 LEU CB C 16 45.483 41.891 3.592 1
1 167 . 4 1 1 A 17 17 LEU N N 16 125.526 125.833 -0.307 1
1 168 . 4 1 1 A 18 18 SER H H 17 9.032 9.349 -0.317 1
1 169 . 4 1 1 A 18 18 SER HA H 17 5.707 5.228 0.479 1
1 172 . 4 1 1 A 18 18 SER CA C 17 56.078 57.416 -1.338 1
1 173 . 4 1 1 A 18 18 SER CB C 17 66.504 65.624 0.880 1
1 174 . 4 1 1 A 18 18 SER N N 17 118.219 122.945 -4.726 1
1 175 . 4 1 1 A 19 19 THR H H 18 9.122 8.971 0.151 1
1 176 . 4 1 1 A 19 19 THR HA H 18 4.651 4.558 0.093 1
1 182 . 4 1 1 A 19 19 THR CA C 18 60.871 61.443 -0.572 1
1 183 . 4 1 1 A 19 19 THR CB C 18 71.214 70.811 0.403 1
1 185 . 4 1 1 A 19 19 THR N N 18 110.542 117.532 -6.990 1
1 186 . 4 1 1 A 20 20 TYR H H 19 7.890 8.980 -1.090 1
1 187 . 4 1 1 A 20 20 TYR HA H 19 3.895 4.199 -0.304 1
1 194 . 4 1 1 A 20 20 TYR CA C 19 61.228 60.117 1.111 1
1 195 . 4 1 1 A 20 20 TYR CB C 19 39.123 39.210 -0.087 1
1 200 . 4 1 1 A 20 20 TYR N N 19 119.460 123.000 -3.540 1
1 201 . 4 1 1 A 21 21 ASN H H 20 7.312 7.844 -0.532 1
1 202 . 4 1 1 A 21 21 ASN HA H 20 4.663 4.823 -0.160 1
1 205 . 4 1 1 A 21 21 ASN CA C 20 52.035 52.126 -0.091 1
1 206 . 4 1 1 A 21 21 ASN CB C 20 37.228 38.367 -1.139 1
1 207 . 4 1 1 A 21 21 ASN N N 20 112.235 117.246 -5.011 1
1 208 . 4 1 1 A 22 22 ASP H H 21 7.919 7.977 -0.058 1
1 209 . 4 1 1 A 22 22 ASP HA H 21 4.210 4.147 0.063 1
1 212 . 4 1 1 A 22 22 ASP CA C 21 56.289 55.432 0.857 1
1 213 . 4 1 1 A 22 22 ASP CB C 21 38.389 38.809 -0.420 1
1 214 . 4 1 1 A 22 22 ASP N N 21 113.136 116.050 -2.914 1
1 215 . 4 1 1 A 23 23 GLN H H 22 7.621 7.059 0.562 1
1 216 . 4 1 1 A 23 23 GLN HA H 22 4.576 4.864 -0.288 1
1 221 . 4 1 1 A 23 23 GLN CA C 22 55.474 54.600 0.874 1
1 222 . 4 1 1 A 23 23 GLN CB C 22 29.609 31.933 -2.324 1
1 224 . 4 1 1 A 23 23 GLN N N 22 115.930 117.209 -1.279 1
1 225 . 4 1 1 A 24 24 SER H H 23 8.847 8.757 0.090 1
1 226 . 4 1 1 A 24 24 SER HA H 23 4.699 5.039 -0.340 1
1 229 . 4 1 1 A 24 24 SER CA C 23 59.518 58.067 1.451 1
1 230 . 4 1 1 A 24 24 SER CB C 23 64.710 64.812 -0.102 1
1 231 . 4 1 1 A 24 24 SER N N 23 118.760 118.708 0.052 1
1 232 . 4 1 1 A 25 25 ILE H H 24 7.851 8.843 -0.992 1
1 233 . 4 1 1 A 25 25 ILE HA H 24 4.685 4.501 0.184 1
1 243 . 4 1 1 A 25 25 ILE CA C 24 59.480 60.605 -1.125 1
1 244 . 4 1 1 A 25 25 ILE CB C 24 36.204 37.846 -1.642 1
1 248 . 4 1 1 A 25 25 ILE N N 24 122.951 124.571 -1.620 1
1 249 . 4 1 1 A 26 26 THR H H 25 8.865 8.865 0.000 1
1 250 . 4 1 1 A 26 26 THR HA H 25 4.615 4.606 0.009 1
1 255 . 4 1 1 A 26 26 THR CA C 25 59.720 62.619 -2.899 1
1 256 . 4 1 1 A 26 26 THR CB C 25 70.755 69.927 0.828 1
1 258 . 4 1 1 A 26 26 THR N N 25 123.404 123.917 -0.513 1
1 259 . 4 1 1 A 27 27 PHE H H 26 8.614 9.029 -0.415 1
1 260 . 4 1 1 A 27 27 PHE HA H 26 4.986 4.993 -0.007 1
1 268 . 4 1 1 A 27 27 PHE CA C 26 55.673 56.448 -0.775 1
1 269 . 4 1 1 A 27 27 PHE CB C 26 40.422 38.885 1.537 1
1 275 . 4 1 1 A 27 27 PHE N N 26 120.710 126.418 -5.708 1
1 276 . 4 1 1 A 28 28 ALA H H 27 8.989 8.666 0.323 1
1 277 . 4 1 1 A 28 28 ALA HA H 27 4.719 4.597 0.122 1
1 281 . 4 1 1 A 28 28 ALA CA C 27 51.105 51.705 -0.600 1
1 282 . 4 1 1 A 28 28 ALA CB C 27 20.169 19.214 0.955 1
1 283 . 4 1 1 A 28 28 ALA N N 27 127.571 127.777 -0.206 1
1 284 . 4 1 1 A 29 29 LEU H H 28 8.302 8.923 -0.621 1
1 285 . 4 1 1 A 29 29 LEU HA H 28 4.388 4.822 -0.434 1
1 295 . 4 1 1 A 29 29 LEU CA C 28 54.689 54.065 0.624 1
1 296 . 4 1 1 A 29 29 LEU CB C 28 42.072 41.481 0.591 1
1 300 . 4 1 1 A 29 29 LEU N N 28 123.967 124.599 -0.632 1
1 301 . 4 1 1 A 30 30 GLU H H 29 8.426 8.720 -0.294 1
1 302 . 4 1 1 A 30 30 GLU HA H 29 4.383 4.490 -0.107 1
1 306 . 4 1 1 A 30 30 GLU CA C 29 55.674 55.687 -0.013 1
1 307 . 4 1 1 A 30 30 GLU CB C 29 30.616 30.946 -0.330 1
1 309 . 4 1 1 A 30 30 GLU N N 29 123.800 124.141 -0.341 1
1 310 . 4 1 1 A 31 31 ASP H H 30 8.504 8.844 -0.340 1
1 311 . 4 1 1 A 31 31 ASP HA H 30 4.359 4.292 0.067 1
1 314 . 4 1 1 A 31 31 ASP CA C 30 55.650 57.185 -1.535 1
1 315 . 4 1 1 A 31 31 ASP CB C 30 39.912 40.697 -0.785 1
1 316 . 4 1 1 A 31 31 ASP N N 30 121.263 122.813 -1.550 1
1 317 . 4 1 1 A 32 32 GLU H H 31 8.235 7.914 0.321 1
1 318 . 4 1 1 A 32 32 GLU HA H 31 4.039 4.282 -0.243 1
1 323 . 4 1 1 A 32 32 GLU CA C 31 56.572 55.932 0.640 1
1 324 . 4 1 1 A 32 32 GLU CB C 31 29.099 31.034 -1.935 1
1 326 . 4 1 1 A 32 32 GLU N N 31 115.284 113.590 1.694 1
1 327 . 4 1 1 A 33 33 SER H H 32 7.854 7.659 0.195 1
1 328 . 4 1 1 A 33 33 SER HA H 32 4.556 4.616 -0.060 1
1 330 . 4 1 1 A 33 33 SER CA C 32 57.848 56.493 1.355 1
1 331 . 4 1 1 A 33 33 SER CB C 32 64.080 64.503 -0.423 1
1 332 . 4 1 1 A 33 33 SER N N 32 114.403 116.793 -2.390 1
1 333 . 4 1 1 A 34 34 TYR H H 33 8.117 9.069 -0.952 1
1 334 . 4 1 1 A 34 34 TYR HA H 33 4.995 4.764 0.231 1
1 341 . 4 1 1 A 34 34 TYR CA C 33 56.928 57.085 -0.157 1
1 342 . 4 1 1 A 34 34 TYR CB C 33 39.116 37.350 1.766 1
1 347 . 4 1 1 A 34 34 TYR N N 33 119.987 127.532 -7.545 1
1 348 . 4 1 1 A 35 35 GLU H H 34 8.466 8.920 -0.454 1
1 349 . 4 1 1 A 35 35 GLU HA H 34 4.574 4.551 0.023 1
1 352 . 4 1 1 A 35 35 GLU CA C 34 55.417 56.056 -0.639 1
1 353 . 4 1 1 A 35 35 GLU CB C 34 33.071 31.030 2.041 1
1 355 . 4 1 1 A 35 35 GLU N N 34 120.614 124.678 -4.064 1
1 356 . 4 1 1 A 36 36 ILE H H 35 8.485 8.444 0.041 1
1 357 . 4 1 1 A 36 36 ILE HA H 35 4.713 4.830 -0.117 1
1 367 . 4 1 1 A 36 36 ILE CA C 35 60.138 59.763 0.375 1
1 368 . 4 1 1 A 36 36 ILE CB C 35 39.383 40.307 -0.924 1
1 372 . 4 1 1 A 36 36 ILE N N 35 121.673 124.815 -3.142 1
1 373 . 4 1 1 A 37 37 TYR H H 36 8.725 8.984 -0.259 1
1 374 . 4 1 1 A 37 37 TYR HA H 36 5.148 5.501 -0.353 1
1 380 . 4 1 1 A 37 37 TYR CA C 36 55.698 56.126 -0.428 1
1 381 . 4 1 1 A 37 37 TYR CB C 36 40.866 43.808 -2.942 1
1 386 . 4 1 1 A 37 37 TYR N N 36 125.169 124.799 0.370 1
1 387 . 4 1 1 A 38 38 VAL H H 37 7.859 8.648 -0.789 1
1 388 . 4 1 1 A 38 38 VAL HA H 37 4.636 4.748 -0.112 1
1 396 . 4 1 1 A 38 38 VAL CA C 37 60.937 61.660 -0.723 1
1 397 . 4 1 1 A 38 38 VAL CB C 37 32.382 33.770 -1.388 1
1 400 . 4 1 1 A 38 38 VAL N N 37 120.727 120.351 0.376 1
1 401 . 4 1 1 A 39 39 GLU H H 38 8.885 8.682 0.203 1
1 402 . 4 1 1 A 39 39 GLU HA H 38 4.690 4.731 -0.041 1
1 407 . 4 1 1 A 39 39 GLU CA C 38 55.174 55.424 -0.250 1
1 408 . 4 1 1 A 39 39 GLU CB C 38 33.421 31.663 1.758 1
1 410 . 4 1 1 A 39 39 GLU N N 38 124.823 127.319 -2.496 1
1 411 . 4 1 1 A 40 40 ASP H H 39 8.646 8.663 -0.017 1
1 412 . 4 1 1 A 40 40 ASP HA H 39 4.721 4.988 -0.267 1
1 415 . 4 1 1 A 40 40 ASP CA C 39 54.340 53.847 0.493 1
1 416 . 4 1 1 A 40 40 ASP CB C 39 40.839 42.157 -1.318 1
1 417 . 4 1 1 A 40 40 ASP N N 39 122.400 123.795 -1.395 1
1 418 . 4 1 1 A 41 41 LEU H H 40 8.133 8.991 -0.858 1
1 419 . 4 1 1 A 41 41 LEU HA H 40 4.430 4.461 -0.031 1
1 429 . 4 1 1 A 41 41 LEU CA C 40 54.553 54.484 0.069 1
1 430 . 4 1 1 A 41 41 LEU CB C 40 42.942 42.529 0.413 1
1 434 . 4 1 1 A 41 41 LEU N N 40 122.394 125.933 -3.539 1
1 435 . 4 1 1 A 42 42 LYS H H 41 8.659 8.973 -0.314 1
1 436 . 4 1 1 A 42 42 LYS HA H 41 4.357 4.604 -0.247 1
1 442 . 4 1 1 A 42 42 LYS CA C 41 55.924 56.946 -1.022 1
1 443 . 4 1 1 A 42 42 LYS CB C 41 32.421 35.206 -2.785 1
1 447 . 4 1 1 A 42 42 LYS N N 41 122.920 123.081 -0.161 1
1 448 . 4 1 1 A 43 43 LYS H H 42 8.371 8.029 0.342 1
1 449 . 4 1 1 A 43 43 LYS HA H 42 4.223 4.742 -0.519 1
1 455 . 4 1 1 A 43 43 LYS CA C 42 56.924 54.380 2.544 1
1 456 . 4 1 1 A 43 43 LYS CB C 42 32.671 34.685 -2.014 1
1 460 . 4 1 1 A 43 43 LYS N N 42 121.924 117.409 4.515 1
1 461 . 4 1 1 A 44 44 ASP H H 43 8.355 8.508 -0.153 1
1 462 . 4 1 1 A 44 44 ASP HA H 43 4.556 4.670 -0.114 1
1 464 . 4 1 1 A 44 44 ASP CA C 43 54.243 53.352 0.891 1
1 465 . 4 1 1 A 44 44 ASP CB C 43 40.582 39.434 1.148 1
1 466 . 4 1 1 A 44 44 ASP N N 43 118.485 122.072 -3.587 1
1 467 . 4 1 1 A 45 45 GLU H H 44 8.011 8.342 -0.331 1
1 468 . 4 1 1 A 45 45 GLU HA H 44 4.313 4.901 -0.588 1
1 473 . 4 1 1 A 45 45 GLU CA C 44 56.362 54.502 1.860 1
1 474 . 4 1 1 A 45 45 GLU CB C 44 30.265 33.160 -2.895 1
1 476 . 4 1 1 A 45 45 GLU N N 44 119.516 124.662 -5.146 1
1 477 . 4 1 1 A 46 46 LYS H H 45 8.304 8.711 -0.407 1
1 478 . 4 1 1 A 46 46 LYS HA H 45 4.307 4.712 -0.405 1
1 485 . 4 1 1 A 46 46 LYS CA C 45 56.424 55.324 1.100 1
1 486 . 4 1 1 A 46 46 LYS CB C 45 32.421 33.828 -1.407 1
1 490 . 4 1 1 A 46 46 LYS N N 45 121.875 123.086 -1.211 1
1 491 . 4 1 1 A 47 47 LYS H H 46 8.280 8.495 -0.215 1
1 492 . 4 1 1 A 47 47 LYS HA H 46 4.469 4.675 -0.206 1
1 498 . 4 1 1 A 47 47 LYS CA C 46 55.514 54.547 0.967 1
1 499 . 4 1 1 A 47 47 LYS CB C 46 33.264 34.114 -0.850 1
1 503 . 4 1 1 A 47 47 LYS N N 46 122.374 122.722 -0.348 1
1 504 . 4 1 1 A 48 48 ASP H H 47 8.778 8.590 0.188 1
1 505 . 4 1 1 A 48 48 ASP HA H 47 4.811 4.764 0.047 1
1 507 . 4 1 1 A 48 48 ASP CA C 47 54.357 54.628 -0.271 1
1 508 . 4 1 1 A 48 48 ASP CB C 47 41.842 41.545 0.297 1
1 509 . 4 1 1 A 48 48 ASP N N 47 122.211 120.297 1.914 1
1 510 . 4 1 1 A 49 49 LYS H H 48 8.388 8.558 -0.170 1
1 511 . 4 1 1 A 49 49 LYS HA H 48 4.593 5.006 -0.413 1
1 519 . 4 1 1 A 49 49 LYS CA C 48 55.134 54.977 0.157 1
1 520 . 4 1 1 A 49 49 LYS CB C 48 34.993 34.840 0.153 1
1 524 . 4 1 1 A 49 49 LYS N N 48 120.889 122.271 -1.382 1
1 525 . 4 1 1 A 50 50 VAL H H 49 9.063 8.933 0.130 1
1 526 . 4 1 1 A 50 50 VAL HA H 49 4.097 4.535 -0.438 1
1 534 . 4 1 1 A 50 50 VAL CA C 49 59.275 60.751 -1.476 1
1 535 . 4 1 1 A 50 50 VAL CB C 49 33.958 33.833 0.125 1
1 538 . 4 1 1 A 50 50 VAL N N 49 118.350 122.487 -4.137 1
1 539 . 4 1 1 A 51 51 LEU H H 50 8.238 8.831 -0.593 1
1 540 . 4 1 1 A 51 51 LEU HA H 50 4.561 4.482 0.079 1
1 550 . 4 1 1 A 51 51 LEU CA C 50 54.877 54.940 -0.063 1
1 551 . 4 1 1 A 51 51 LEU CB C 50 42.481 42.477 0.004 1
1 555 . 4 1 1 A 51 51 LEU N N 50 125.236 130.985 -5.749 1
1 556 . 4 1 1 A 52 52 LEU H H 51 9.286 9.079 0.207 1
1 557 . 4 1 1 A 52 52 LEU HA H 51 5.190 5.363 -0.173 1
1 567 . 4 1 1 A 52 52 LEU CA C 51 54.228 53.379 0.849 1
1 568 . 4 1 1 A 52 52 LEU CB C 51 42.961 43.239 -0.278 1
1 572 . 4 1 1 A 52 52 LEU N N 51 134.513 130.141 4.372 1
1 573 . 4 1 1 A 53 53 SER H H 52 7.992 9.048 -1.056 1
1 574 . 4 1 1 A 53 53 SER HA H 52 5.233 5.367 -0.134 1
1 577 . 4 1 1 A 53 53 SER CA C 52 56.869 57.290 -0.421 1
1 578 . 4 1 1 A 53 53 SER CB C 52 62.776 64.986 -2.210 1
1 579 . 4 1 1 A 53 53 SER N N 52 117.641 122.577 -4.936 1
1 580 . 4 1 1 A 54 54 TYR H H 53 8.703 9.019 -0.316 1
1 581 . 4 1 1 A 54 54 TYR HA H 53 5.611 5.485 0.126 1
1 588 . 4 1 1 A 54 54 TYR CA C 53 56.264 57.690 -1.426 1
1 589 . 4 1 1 A 54 54 TYR CB C 53 40.455 41.142 -0.687 1
1 594 . 4 1 1 A 54 54 TYR N N 53 122.503 124.327 -1.824 1
1 595 . 4 1 1 A 55 55 TYR H H 54 9.813 9.134 0.679 1
1 596 . 4 1 1 A 55 55 TYR HA H 54 4.983 5.089 -0.106 1
1 603 . 4 1 1 A 55 55 TYR CA C 54 56.465 56.365 0.100 1
1 604 . 4 1 1 A 55 55 TYR CB C 54 41.898 42.921 -1.023 1
1 609 . 4 1 1 A 55 55 TYR N N 54 120.204 120.134 0.070 1
1 610 . 4 1 1 A 56 56 GLU H H 55 8.804 8.913 -0.109 1
1 611 . 4 1 1 A 56 56 GLU HA H 55 4.913 4.811 0.102 1
1 616 . 4 1 1 A 56 56 GLU CA C 55 55.700 55.632 0.068 1
1 617 . 4 1 1 A 56 56 GLU CB C 55 31.684 30.917 0.767 1
1 619 . 4 1 1 A 56 56 GLU N N 55 120.472 122.728 -2.256 1
1 620 . 4 1 1 A 57 57 SER H H 56 8.580 8.320 0.260 1
1 621 . 4 1 1 A 57 57 SER HA H 56 4.619 5.103 -0.484 1
1 624 . 4 1 1 A 57 57 SER CA C 56 57.332 56.589 0.743 1
1 625 . 4 1 1 A 57 57 SER CB C 56 64.338 64.491 -0.153 1
1 626 . 4 1 1 A 57 57 SER N N 56 117.342 120.287 -2.945 1
1 627 . 4 1 1 A 58 58 GLN H H 57 8.426 8.832 -0.406 1
1 628 . 4 1 1 A 58 58 GLN HA H 57 4.482 4.884 -0.402 1
1 632 . 4 1 1 A 58 58 GLN CA C 57 55.364 53.834 1.530 1
1 633 . 4 1 1 A 58 58 GLN CB C 57 29.603 32.397 -2.794 1
1 635 . 4 1 1 A 58 58 GLN N N 57 121.444 123.053 -1.609 1
1 636 . 4 1 1 A 59 59 HIS H H 58 8.481 8.548 -0.067 1
1 637 . 4 1 1 A 59 59 HIS HA H 58 4.862 4.790 0.072 1
1 641 . 4 1 1 A 59 59 HIS CA C 58 54.055 54.268 -0.213 1
1 642 . 4 1 1 A 59 59 HIS CB C 58 30.237 30.471 -0.234 1
1 643 . 4 1 1 A 59 59 HIS N N 58 122.199 120.231 1.968 1
1 644 . 4 1 1 A 60 60 PRO HA H 59 4.506 4.426 0.080 1
1 650 . 4 1 1 A 60 60 PRO CA C 59 63.254 64.029 -0.775 1
1 651 . 4 1 1 A 60 60 PRO CB C 59 31.829 31.774 0.055 1
1 654 . 4 1 1 A 62 62 ASN H H 61 8.465 8.846 -0.381 1
1 655 . 4 1 1 A 62 62 ASN HA H 61 4.769 4.851 -0.082 1
1 657 . 4 1 1 A 62 62 ASN CA C 61 53.310 52.599 0.711 1
1 658 . 4 1 1 A 62 62 ASN CB C 61 38.545 37.770 0.775 1
1 659 . 4 1 1 A 62 62 ASN N N 61 120.049 119.481 0.568 1
1 660 . 4 1 1 A 63 63 GLU H H 62 8.369 7.826 0.543 1
1 661 . 4 1 1 A 63 63 GLU HA H 62 4.348 4.393 -0.045 1
1 666 . 4 1 1 A 63 63 GLU CA C 62 56.828 55.322 1.506 1
1 667 . 4 1 1 A 63 63 GLU CB C 62 30.044 29.321 0.723 1
1 669 . 4 1 1 A 63 63 GLU N N 62 120.260 122.060 -1.800 1
1 670 . 4 1 1 A 64 64 SER H H 63 8.254 8.825 -0.571 1
1 671 . 4 1 1 A 64 64 SER HA H 63 4.494 4.138 0.356 1
1 674 . 4 1 1 A 64 64 SER CA C 63 58.213 60.973 -2.760 1
1 675 . 4 1 1 A 64 64 SER CB C 63 63.799 63.352 0.447 1
1 676 . 4 1 1 A 64 64 SER N N 63 115.291 123.310 -8.019 1
1 677 . 4 1 1 A 65 65 GLY H H 64 8.294 8.017 0.277 1
1 678 . 4 1 1 A 65 65 GLY HA2 H 64 4.001 3.887 0.114 1
1 679 . 4 1 1 A 65 65 GLY CA C 64 45.306 46.852 -1.546 1
1 680 . 4 1 1 A 65 65 GLY N N 64 110.364 108.218 2.146 1
1 681 . 4 1 1 A 66 66 ASP H H 65 8.227 8.621 -0.394 1
1 682 . 4 1 1 A 66 66 ASP HA H 65 4.664 4.318 0.346 1
1 684 . 4 1 1 A 66 66 ASP CA C 65 54.180 54.873 -0.693 1
1 685 . 4 1 1 A 66 66 ASP CB C 65 41.160 39.334 1.826 1
1 686 . 4 1 1 A 66 66 ASP N N 65 119.894 118.372 1.522 1
1 687 . 4 1 1 A 67 67 GLY H H 66 8.379 8.126 0.253 1
1 688 . 4 1 1 A 67 67 GLY HA2 H 66 3.997 4.302 -0.305 1
1 689 . 4 1 1 A 67 67 GLY CA C 66 45.216 44.486 0.730 1
1 690 . 4 1 1 A 67 67 GLY N N 66 108.939 107.234 1.705 1
1 691 . 4 1 1 A 68 68 VAL H H 67 8.008 8.451 -0.443 1
1 692 . 4 1 1 A 68 68 VAL HA H 67 4.164 4.510 -0.346 1
1 700 . 4 1 1 A 68 68 VAL CA C 67 62.133 60.481 1.652 1
1 701 . 4 1 1 A 68 68 VAL CB C 67 32.509 30.989 1.520 1
1 704 . 4 1 1 A 68 68 VAL N N 67 118.651 120.041 -1.390 1
1 705 . 4 1 1 A 69 69 ASP H H 68 8.441 8.024 0.417 1
1 706 . 4 1 1 A 69 69 ASP HA H 68 4.664 4.372 0.292 1
1 709 . 4 1 1 A 69 69 ASP CA C 68 54.211 54.751 -0.540 1
1 710 . 4 1 1 A 69 69 ASP CB C 68 40.995 39.344 1.651 1
1 711 . 4 1 1 A 69 69 ASP N N 68 122.953 116.671 6.282 1
1 712 . 4 1 1 A 70 70 GLY H H 69 8.231 8.373 -0.142 1
1 713 . 4 1 1 A 70 70 GLY HA2 H 69 3.980 4.223 -0.243 1
1 714 . 4 1 1 A 70 70 GLY CA C 69 45.347 45.731 -0.384 1
1 715 . 4 1 1 A 70 70 GLY N N 69 108.501 110.486 -1.985 1
1 716 . 4 1 1 A 71 71 LYS H H 70 8.097 8.561 -0.464 1
1 717 . 4 1 1 A 71 71 LYS HA H 70 4.552 4.199 0.353 1
1 725 . 4 1 1 A 71 71 LYS CA C 70 55.514 56.013 -0.499 1
1 726 . 4 1 1 A 71 71 LYS CB C 70 33.267 33.355 -0.088 1
1 730 . 4 1 1 A 71 71 LYS N N 70 120.089 122.245 -2.156 1
1 731 . 4 1 1 A 72 72 MET H H 71 8.485 8.444 0.041 1
1 732 . 4 1 1 A 72 72 MET HA H 71 4.622 4.710 -0.088 1
1 740 . 4 1 1 A 72 72 MET CA C 71 54.810 55.017 -0.207 1
1 741 . 4 1 1 A 72 72 MET CB C 71 34.060 33.265 0.795 1
1 744 . 4 1 1 A 72 72 MET N N 71 121.815 120.774 1.041 1
1 745 . 4 1 1 A 73 73 LEU H H 72 8.792 8.897 -0.105 1
1 746 . 4 1 1 A 73 73 LEU HA H 72 5.140 4.997 0.143 1
1 756 . 4 1 1 A 73 73 LEU CA C 72 53.671 54.020 -0.349 1
1 757 . 4 1 1 A 73 73 LEU CB C 72 44.258 42.346 1.912 1
1 761 . 4 1 1 A 73 73 LEU N N 72 124.871 125.917 -1.046 1
1 762 . 4 1 1 A 74 74 MET H H 73 9.089 8.712 0.377 1
1 763 . 4 1 1 A 74 74 MET HA H 73 5.741 4.941 0.800 1
1 770 . 4 1 1 A 74 74 MET CA C 73 53.328 55.003 -1.675 1
1 771 . 4 1 1 A 74 74 MET CB C 73 36.526 34.214 2.312 1
1 774 . 4 1 1 A 74 74 MET N N 73 119.200 123.863 -4.663 1
1 775 . 4 1 1 A 75 75 VAL H H 74 10.046 8.886 1.160 1
1 776 . 4 1 1 A 75 75 VAL HA H 74 6.298 5.101 1.197 1
1 784 . 4 1 1 A 75 75 VAL CA C 74 58.377 60.063 -1.686 1
1 785 . 4 1 1 A 75 75 VAL CB C 74 36.528 35.579 0.949 1
1 788 . 4 1 1 A 75 75 VAL N N 74 116.505 119.959 -3.454 1
1 789 . 4 1 1 A 76 76 THR H H 75 8.519 9.197 -0.678 1
1 790 . 4 1 1 A 76 76 THR HA H 75 4.978 5.469 -0.491 1
1 795 . 4 1 1 A 76 76 THR CA C 75 59.451 60.355 -0.904 1
1 796 . 4 1 1 A 76 76 THR CB C 75 71.755 71.280 0.475 1
1 798 . 4 1 1 A 76 76 THR N N 75 111.166 119.539 -8.373 1
1 799 . 4 1 1 A 77 77 LEU H H 76 10.195 9.317 0.878 1
1 800 . 4 1 1 A 77 77 LEU HA H 76 5.175 5.012 0.163 1
1 810 . 4 1 1 A 77 77 LEU CA C 76 55.214 53.425 1.789 1
1 811 . 4 1 1 A 77 77 LEU CB C 76 45.718 42.842 2.876 1
1 815 . 4 1 1 A 77 77 LEU N N 76 121.235 126.733 -5.498 1
1 816 . 4 1 1 A 78 78 SER H H 77 8.596 8.701 -0.105 1
1 817 . 4 1 1 A 78 78 SER HA H 77 5.427 4.910 0.517 1
1 821 . 4 1 1 A 78 78 SER CA C 77 52.060 55.535 -3.475 1
1 822 . 4 1 1 A 78 78 SER CB C 77 63.768 64.156 -0.388 1
1 823 . 4 1 1 A 78 78 SER N N 77 116.108 119.569 -3.461 1
1 824 . 4 1 1 A 79 79 PRO HA H 78 4.257 4.282 -0.025 1
1 831 . 4 1 1 A 79 79 PRO CA C 78 62.972 63.931 -0.959 1
1 832 . 4 1 1 A 79 79 PRO CB C 78 31.667 31.422 0.245 1
1 835 . 4 1 1 A 80 80 THR H H 79 6.796 7.203 -0.407 1
1 836 . 4 1 1 A 80 80 THR HA H 79 4.204 4.644 -0.440 1
1 842 . 4 1 1 A 80 80 THR CA C 79 60.016 60.139 -0.123 1
1 843 . 4 1 1 A 80 80 THR CB C 79 68.509 70.820 -2.311 1
1 845 . 4 1 1 A 80 80 THR N N 79 110.183 107.413 2.770 1
1 846 . 4 1 1 A 81 81 LYS H H 80 7.638 8.523 -0.885 1
1 847 . 4 1 1 A 81 81 LYS HA H 80 3.744 4.174 -0.430 1
1 853 . 4 1 1 A 81 81 LYS CA C 80 58.578 58.382 0.196 1
1 854 . 4 1 1 A 81 81 LYS CB C 80 32.325 32.343 -0.018 1
1 858 . 4 1 1 A 81 81 LYS N N 80 124.973 119.454 5.519 1
1 859 . 4 1 1 A 82 82 ASP H H 81 8.255 7.498 0.757 1
1 860 . 4 1 1 A 82 82 ASP HA H 81 4.277 3.951 0.326 1
1 863 . 4 1 1 A 82 82 ASP CA C 81 57.378 55.228 2.150 1
1 864 . 4 1 1 A 82 82 ASP CB C 81 39.348 40.917 -1.569 1
1 865 . 4 1 1 A 82 82 ASP N N 81 117.344 116.578 0.766 1
1 866 . 4 1 1 A 83 83 PHE H H 82 7.880 7.148 0.732 1
1 867 . 4 1 1 A 83 83 PHE HA H 82 5.243 4.457 0.786 1
1 875 . 4 1 1 A 83 83 PHE CA C 82 56.927 59.145 -2.218 1
1 876 . 4 1 1 A 83 83 PHE CB C 82 41.679 39.944 1.735 1
1 881 . 4 1 1 A 83 83 PHE N N 82 115.687 117.956 -2.269 1
1 882 . 4 1 1 A 84 84 TRP H H 83 8.718 9.038 -0.320 1
1 883 . 4 1 1 A 84 84 TRP HA H 83 5.445 5.248 0.197 1
1 892 . 4 1 1 A 84 84 TRP CA C 83 57.105 56.049 1.056 1
1 893 . 4 1 1 A 84 84 TRP CB C 83 33.602 33.301 0.301 1
1 898 . 4 1 1 A 84 84 TRP N N 83 119.999 122.585 -2.586 1
1 900 . 4 1 1 A 85 85 LEU H H 84 8.738 8.188 0.550 1
1 901 . 4 1 1 A 85 85 LEU HA H 84 4.802 4.729 0.073 1
1 911 . 4 1 1 A 85 85 LEU CA C 84 56.224 55.142 1.082 1
1 912 . 4 1 1 A 85 85 LEU CB C 84 42.532 42.858 -0.326 1
1 916 . 4 1 1 A 85 85 LEU N N 84 123.889 123.578 0.311 1
1 917 . 4 1 1 A 86 86 HIS H H 85 9.563 9.409 0.154 1
1 918 . 4 1 1 A 86 86 HIS HA H 85 5.027 5.075 -0.048 1
1 923 . 4 1 1 A 86 86 HIS CA C 85 54.704 54.600 0.104 1
1 924 . 4 1 1 A 86 86 HIS CB C 85 33.214 32.798 0.416 1
1 926 . 4 1 1 A 86 86 HIS N N 85 121.782 122.283 -0.501 1
1 927 . 4 1 1 A 87 87 ALA H H 86 8.544 8.978 -0.434 1
1 928 . 4 1 1 A 87 87 ALA HA H 86 4.614 4.740 -0.126 1
1 932 . 4 1 1 A 87 87 ALA CA C 86 52.098 51.453 0.645 1
1 933 . 4 1 1 A 87 87 ALA CB C 86 20.690 19.903 0.787 1
1 934 . 4 1 1 A 87 87 ALA N N 86 125.230 126.628 -1.398 1
1 935 . 4 1 1 A 88 88 ASN H H 87 8.846 8.954 -0.108 1
1 936 . 4 1 1 A 88 88 ASN HA H 87 4.862 4.936 -0.074 1
1 939 . 4 1 1 A 88 88 ASN CA C 87 51.444 51.607 -0.163 1
1 940 . 4 1 1 A 88 88 ASN CB C 87 37.171 37.973 -0.802 1
1 941 . 4 1 1 A 88 88 ASN N N 87 121.260 123.207 -1.947 1
1 942 . 4 1 1 A 89 89 ASN H H 88 8.638 8.579 0.059 1
1 943 . 4 1 1 A 89 89 ASN HA H 88 4.284 4.318 -0.034 1
1 946 . 4 1 1 A 89 89 ASN CA C 88 55.788 55.498 0.290 1
1 947 . 4 1 1 A 89 89 ASN CB C 88 37.818 38.480 -0.662 1
1 948 . 4 1 1 A 89 89 ASN N N 88 121.570 124.067 -2.497 1
1 949 . 4 1 1 A 90 90 LYS H H 89 8.196 7.789 0.407 1
1 950 . 4 1 1 A 90 90 LYS HA H 89 4.101 3.965 0.136 1
1 957 . 4 1 1 A 90 90 LYS CA C 89 58.402 58.789 -0.387 1
1 958 . 4 1 1 A 90 90 LYS CB C 89 32.018 32.330 -0.312 1
1 962 . 4 1 1 A 90 90 LYS N N 89 119.566 117.749 1.817 1
1 963 . 4 1 1 A 91 91 GLU H H 90 6.917 7.618 -0.701 1
1 964 . 4 1 1 A 91 91 GLU HA H 90 4.378 4.458 -0.080 1
1 969 . 4 1 1 A 91 91 GLU CA C 90 54.864 55.342 -0.478 1
1 970 . 4 1 1 A 91 91 GLU CB C 90 29.597 31.055 -1.458 1
1 972 . 4 1 1 A 91 91 GLU N N 90 114.145 116.275 -2.130 1
1 973 . 4 1 1 A 92 92 HIS H H 91 7.738 7.707 0.031 1
1 974 . 4 1 1 A 92 92 HIS HA H 91 4.181 4.217 -0.036 1
1 978 . 4 1 1 A 92 92 HIS CA C 91 57.189 56.875 0.314 1
1 979 . 4 1 1 A 92 92 HIS CB C 91 26.154 26.816 -0.662 1
1 980 . 4 1 1 A 92 92 HIS N N 91 115.238 116.316 -1.078 1
1 981 . 4 1 1 A 93 93 SER H H 92 8.415 7.242 1.173 1
1 982 . 4 1 1 A 93 93 SER HA H 92 5.185 5.183 0.002 1
1 985 . 4 1 1 A 93 93 SER CA C 92 56.374 56.858 -0.484 1
1 986 . 4 1 1 A 93 93 SER CB C 92 67.005 67.063 -0.058 1
1 987 . 4 1 1 A 93 93 SER N N 92 113.966 110.696 3.270 1
1 988 . 4 1 1 A 94 94 VAL H H 93 8.251 8.763 -0.512 1
1 989 . 4 1 1 A 94 94 VAL HA H 93 4.868 4.813 0.055 1
1 997 . 4 1 1 A 94 94 VAL CA C 93 60.478 61.494 -1.016 1
1 998 . 4 1 1 A 94 94 VAL CB C 93 33.120 32.819 0.301 1
1 1001 . 4 1 1 A 94 94 VAL N N 93 116.256 121.216 -4.960 1
1 1002 . 4 1 1 A 95 95 GLU H H 94 8.904 9.021 -0.117 1
1 1003 . 4 1 1 A 95 95 GLU HA H 94 4.878 4.931 -0.053 1
1 1008 . 4 1 1 A 95 95 GLU CA C 94 53.455 54.528 -1.073 1
1 1009 . 4 1 1 A 95 95 GLU CB C 94 34.430 33.768 0.662 1
1 1011 . 4 1 1 A 95 95 GLU N N 94 122.142 126.103 -3.961 1
1 1012 . 4 1 1 A 96 96 LEU H H 95 8.237 8.026 0.211 1
1 1013 . 4 1 1 A 96 96 LEU HA H 95 4.974 5.250 -0.276 1
1 1023 . 4 1 1 A 96 96 LEU CA C 95 53.731 53.673 0.058 1
1 1024 . 4 1 1 A 96 96 LEU CB C 95 43.478 41.504 1.974 1
1 1028 . 4 1 1 A 96 96 LEU N N 95 121.305 122.719 -1.414 1
1 1029 . 4 1 1 A 97 97 HIS H H 96 8.294 9.674 -1.380 1
1 1030 . 4 1 1 A 97 97 HIS HA H 96 4.947 5.232 -0.285 1
1 1034 . 4 1 1 A 97 97 HIS CA C 96 54.144 54.090 0.054 1
1 1035 . 4 1 1 A 97 97 HIS CB C 96 33.344 33.377 -0.033 1
1 1036 . 4 1 1 A 97 97 HIS N N 96 119.193 122.336 -3.143 1
1 1037 . 4 1 1 A 98 98 LYS H H 97 8.582 9.124 -0.542 1
1 1038 . 4 1 1 A 98 98 LYS HA H 97 4.564 5.009 -0.445 1
1 1046 . 4 1 1 A 98 98 LYS CA C 97 55.190 55.014 0.176 1
1 1047 . 4 1 1 A 98 98 LYS CB C 97 31.941 34.488 -2.547 1
1 1051 . 4 1 1 A 98 98 LYS N N 97 127.478 122.853 4.625 1
1 1052 . 4 1 1 A 99 99 CYS H H 98 8.695 8.748 -0.053 1
1 1053 . 4 1 1 A 99 99 CYS HA H 98 4.822 5.144 -0.322 1
1 1056 . 4 1 1 A 99 99 CYS CA C 98 57.391 57.629 -0.238 1
1 1057 . 4 1 1 A 99 99 CYS CB C 98 30.916 32.282 -1.366 1
1 1058 . 4 1 1 A 99 99 CYS N N 98 122.622 123.472 -0.850 1
1 1059 . 4 1 1 A 100 100 GLU H H 99 8.251 8.698 -0.447 1
1 1060 . 4 1 1 A 100 100 GLU HA H 99 4.513 4.378 0.135 1
1 1064 . 4 1 1 A 100 100 GLU CA C 99 54.674 56.634 -1.960 1
1 1065 . 4 1 1 A 100 100 GLU CB C 99 31.421 30.679 0.742 1
1 1067 . 4 1 1 A 100 100 GLU N N 99 121.252 121.561 -0.309 1
1 1068 . 4 1 1 A 101 101 LYS H H 100 8.195 9.001 -0.806 1
1 1069 . 4 1 1 A 101 101 LYS HA H 100 3.953 4.021 -0.068 1
1 1077 . 4 1 1 A 101 101 LYS CA C 100 55.042 61.381 -6.339 1
1 1078 . 4 1 1 A 101 101 LYS CB C 100 31.473 30.240 1.233 1
1 1082 . 4 1 1 A 101 101 LYS N N 100 118.588 123.740 -5.152 1
1 1083 . 4 1 1 A 102 102 PRO HA H 101 4.447 4.316 0.131 1
1 1090 . 4 1 1 A 102 102 PRO CA C 101 61.513 63.261 -1.748 1
1 1091 . 4 1 1 A 102 102 PRO CB C 101 34.073 31.477 2.596 1
1 1094 . 4 1 1 A 103 103 LEU H H 102 8.384 8.255 0.129 1
1 1095 . 4 1 1 A 103 103 LEU HA H 102 4.175 4.486 -0.311 1
1 1105 . 4 1 1 A 103 103 LEU CA C 102 52.733 52.387 0.346 1
1 1106 . 4 1 1 A 103 103 LEU CB C 102 41.000 41.841 -0.841 1
1 1110 . 4 1 1 A 103 103 LEU N N 102 123.679 124.368 -0.689 1
1 1111 . 4 1 1 A 104 104 PRO HA H 103 4.658 4.641 0.017 1
1 1118 . 4 1 1 A 104 104 PRO CA C 103 61.564 62.404 -0.840 1
1 1119 . 4 1 1 A 104 104 PRO CB C 103 32.310 32.993 -0.683 1
1 1122 . 4 1 1 A 105 105 ASP H H 104 8.605 8.726 -0.121 1
1 1123 . 4 1 1 A 105 105 ASP HA H 104 4.275 4.388 -0.113 1
1 1126 . 4 1 1 A 105 105 ASP CA C 104 57.659 57.733 -0.074 1
1 1127 . 4 1 1 A 105 105 ASP CB C 104 40.754 40.570 0.184 1
1 1128 . 4 1 1 A 105 105 ASP N N 104 119.037 121.162 -2.125 1
1 1129 . 4 1 1 A 106 106 GLN H H 105 8.330 8.315 0.015 1
1 1130 . 4 1 1 A 106 106 GLN HA H 105 4.189 4.014 0.175 1
1 1135 . 4 1 1 A 106 106 GLN CA C 105 58.516 58.334 0.182 1
1 1136 . 4 1 1 A 106 106 GLN CB C 105 27.206 28.414 -1.208 1
1 1138 . 4 1 1 A 106 106 GLN N N 105 113.235 118.162 -4.927 1
1 1139 . 4 1 1 A 107 107 ALA H H 106 7.763 7.662 0.101 1
1 1140 . 4 1 1 A 107 107 ALA HA H 106 4.862 3.729 1.133 1
1 1144 . 4 1 1 A 107 107 ALA CA C 106 50.856 51.875 -1.019 1
1 1145 . 4 1 1 A 107 107 ALA CB C 106 18.420 18.066 0.354 1
1 1146 . 4 1 1 A 107 107 ALA N N 106 121.188 120.282 0.906 1
1 1147 . 4 1 1 A 108 108 PHE H H 107 7.291 7.017 0.274 1
1 1148 . 4 1 1 A 108 108 PHE HA H 107 4.675 4.992 -0.317 1
1 1156 . 4 1 1 A 108 108 PHE CA C 107 57.225 56.260 0.965 1
1 1157 . 4 1 1 A 108 108 PHE CB C 107 41.449 42.646 -1.197 1
1 1163 . 4 1 1 A 108 108 PHE N N 107 114.254 117.021 -2.767 1
1 1164 . 4 1 1 A 109 109 PHE H H 108 9.089 9.305 -0.216 1
1 1165 . 4 1 1 A 109 109 PHE HA H 108 5.216 5.288 -0.072 1
1 1173 . 4 1 1 A 109 109 PHE CA C 108 55.752 56.835 -1.083 1
1 1174 . 4 1 1 A 109 109 PHE CB C 108 41.744 41.224 0.520 1
1 1180 . 4 1 1 A 109 109 PHE N N 108 119.202 122.417 -3.215 1
1 1181 . 4 1 1 A 110 110 VAL H H 109 10.389 8.936 1.453 1
1 1182 . 4 1 1 A 110 110 VAL HA H 109 4.299 4.250 0.049 1
1 1190 . 4 1 1 A 110 110 VAL CA C 109 62.758 63.240 -0.482 1
1 1191 . 4 1 1 A 110 110 VAL CB C 109 33.099 31.948 1.151 1
1 1194 . 4 1 1 A 110 110 VAL N N 109 125.234 124.503 0.731 1
1 1195 . 4 1 1 A 111 111 LEU H H 110 8.568 8.445 0.123 1
1 1196 . 4 1 1 A 111 111 LEU HA H 110 4.872 4.578 0.294 1
1 1206 . 4 1 1 A 111 111 LEU CA C 110 54.077 55.577 -1.500 1
1 1207 . 4 1 1 A 111 111 LEU CB C 110 43.562 42.659 0.903 1
1 1211 . 4 1 1 A 111 111 LEU N N 110 130.826 130.404 0.422 1
1 1212 . 4 1 1 A 112 112 HIS H H 111 9.070 9.064 0.006 1
1 1213 . 4 1 1 A 112 112 HIS HA H 111 4.917 5.007 -0.090 1
1 1217 . 4 1 1 A 112 112 HIS CA C 111 54.229 54.581 -0.352 1
1 1218 . 4 1 1 A 112 112 HIS CB C 111 31.745 33.307 -1.562 1
1 1219 . 4 1 1 A 112 112 HIS N N 111 124.953 125.448 -0.495 1
1 1220 . 4 1 1 A 113 113 ASN H H 112 9.018 8.748 0.270 1
1 1221 . 4 1 1 A 113 113 ASN HA H 112 4.912 4.789 0.123 1
1 1224 . 4 1 1 A 113 113 ASN CA C 112 54.151 52.977 1.174 1
1 1225 . 4 1 1 A 113 113 ASN CB C 112 38.868 38.835 0.033 1
1 1226 . 4 1 1 A 113 113 ASN N N 112 122.645 122.109 0.536 1
1 1227 . 4 1 1 A 114 114 MET H H 113 8.314 8.415 -0.101 1
1 1228 . 4 1 1 A 114 114 MET HA H 113 4.891 4.497 0.394 1
1 1236 . 4 1 1 A 114 114 MET CA C 113 53.171 56.937 -3.766 1
1 1237 . 4 1 1 A 114 114 MET CB C 113 32.922 33.550 -0.628 1
1 1240 . 4 1 1 A 114 114 MET N N 113 123.103 125.096 -1.993 1
1 1241 . 4 1 1 A 115 115 HIS H H 114 7.453 7.764 -0.311 1
1 1242 . 4 1 1 A 115 115 HIS HA H 114 4.664 4.927 -0.263 1
1 1246 . 4 1 1 A 115 115 HIS CA C 114 55.572 55.057 0.515 1
1 1247 . 4 1 1 A 115 115 HIS CB C 114 30.856 31.718 -0.862 1
1 1248 . 4 1 1 A 115 115 HIS N N 114 115.450 114.595 0.855 1
1 1250 . 4 1 1 A 116 116 SER CB C 115 61.131 62.898 -1.767 1
1 1251 . 4 1 1 A 117 117 ASN H H 116 8.912 8.053 0.859 1
1 1252 . 4 1 1 A 117 117 ASN HA H 116 4.556 4.883 -0.327 1
1 1255 . 4 1 1 A 117 117 ASN CA C 116 54.106 53.395 0.711 1
1 1256 . 4 1 1 A 117 117 ASN CB C 116 37.615 40.844 -3.229 1
1 1257 . 4 1 1 A 117 117 ASN N N 116 113.703 115.910 -2.207 1
1 1258 . 4 1 1 A 118 118 CYS H H 117 7.532 7.774 -0.242 1
1 1259 . 4 1 1 A 118 118 CYS HA H 117 5.316 4.835 0.481 1
1 1262 . 4 1 1 A 118 118 CYS CA C 117 58.639 58.930 -0.291 1
1 1263 . 4 1 1 A 118 118 CYS CB C 117 30.949 27.475 3.474 1
1 1264 . 4 1 1 A 118 118 CYS N N 117 115.213 119.193 -3.980 1
1 1265 . 4 1 1 A 119 119 VAL H H 118 9.617 9.017 0.600 1
1 1266 . 4 1 1 A 119 119 VAL HA H 118 5.397 5.126 0.271 1
1 1274 . 4 1 1 A 119 119 VAL CA C 118 58.788 59.150 -0.362 1
1 1275 . 4 1 1 A 119 119 VAL CB C 118 35.745 35.972 -0.227 1
1 1278 . 4 1 1 A 119 119 VAL N N 118 116.144 120.105 -3.961 1
1 1279 . 4 1 1 A 120 120 SER H H 119 8.578 8.652 -0.074 1
1 1280 . 4 1 1 A 120 120 SER HA H 119 5.089 5.446 -0.357 1
1 1283 . 4 1 1 A 120 120 SER CA C 119 57.311 57.242 0.069 1
1 1284 . 4 1 1 A 120 120 SER CB C 119 67.751 65.860 1.891 1
1 1285 . 4 1 1 A 120 120 SER N N 119 113.930 118.234 -4.304 1
1 1286 . 4 1 1 A 121 121 PHE H H 120 10.612 9.443 1.169 1
1 1287 . 4 1 1 A 121 121 PHE HA H 120 5.365 5.203 0.162 1
1 1294 . 4 1 1 A 121 121 PHE CA C 120 55.797 56.721 -0.924 1
1 1295 . 4 1 1 A 121 121 PHE CB C 120 41.542 38.979 2.563 1
1 1300 . 4 1 1 A 121 121 PHE N N 120 120.777 124.528 -3.751 1
1 1301 . 4 1 1 A 122 122 GLU H H 121 9.509 9.314 0.195 1
1 1302 . 4 1 1 A 122 122 GLU HA H 121 4.537 4.853 -0.316 1
1 1307 . 4 1 1 A 122 122 GLU CA C 121 53.200 56.260 -3.060 1
1 1308 . 4 1 1 A 122 122 GLU CB C 121 32.943 30.586 2.357 1
1 1310 . 4 1 1 A 122 122 GLU N N 121 126.070 125.961 0.109 1
1 1311 . 4 1 1 A 123 123 CYS H H 122 9.405 8.961 0.444 1
1 1312 . 4 1 1 A 123 123 CYS HA H 122 4.065 4.840 -0.775 1
1 1315 . 4 1 1 A 123 123 CYS CA C 122 61.504 59.165 2.339 1
1 1316 . 4 1 1 A 123 123 CYS CB C 122 27.626 27.636 -0.010 1
1 1317 . 4 1 1 A 123 123 CYS N N 122 127.122 125.911 1.211 1
1 1318 . 4 1 1 A 124 124 LYS H H 123 7.533 8.789 -1.256 1
1 1319 . 4 1 1 A 124 124 LYS HA H 123 3.831 4.019 -0.188 1
1 1326 . 4 1 1 A 124 124 LYS CA C 123 59.245 58.833 0.412 1
1 1327 . 4 1 1 A 124 124 LYS CB C 123 32.946 32.405 0.541 1
1 1331 . 4 1 1 A 124 124 LYS N N 123 125.643 126.317 -0.674 1
1 1332 . 4 1 1 A 125 125 THR H H 124 8.020 7.651 0.369 1
1 1333 . 4 1 1 A 125 125 THR HA H 124 4.216 4.302 -0.086 1
1 1338 . 4 1 1 A 125 125 THR CA C 124 61.424 63.372 -1.948 1
1 1339 . 4 1 1 A 125 125 THR CB C 124 68.505 69.327 -0.822 1
1 1341 . 4 1 1 A 125 125 THR N N 124 102.851 108.789 -5.938 1
1 1342 . 4 1 1 A 126 126 ASP H H 125 6.456 8.098 -1.642 1
1 1343 . 4 1 1 A 126 126 ASP HA H 125 5.125 5.046 0.079 1
1 1346 . 4 1 1 A 126 126 ASP CA C 125 51.060 51.233 -0.173 1
1 1347 . 4 1 1 A 126 126 ASP CB C 125 42.308 41.657 0.651 1
1 1348 . 4 1 1 A 126 126 ASP N N 125 119.891 121.038 -1.147 1
1 1349 . 4 1 1 A 127 127 PRO HA H 126 4.366 4.251 0.115 1
1 1356 . 4 1 1 A 127 127 PRO CA C 126 63.377 63.670 -0.293 1
1 1357 . 4 1 1 A 127 127 PRO CB C 126 31.816 31.323 0.493 1
1 1360 . 4 1 1 A 128 128 GLY H H 127 10.553 8.649 1.904 1
1 1361 . 4 1 1 A 128 128 GLY HA2 H 127 3.775 3.730 0.045 1
1 1362 . 4 1 1 A 128 128 GLY HA3 H 127 4.318 3.810 0.508 1
1 1363 . 4 1 1 A 128 128 GLY CA C 127 44.954 45.033 -0.079 1
1 1364 . 4 1 1 A 128 128 GLY N N 127 113.361 112.342 1.019 1
1 1365 . 4 1 1 A 129 129 VAL H H 128 7.846 7.066 0.780 1
1 1366 . 4 1 1 A 129 129 VAL HA H 128 4.794 4.320 0.474 1
1 1374 . 4 1 1 A 129 129 VAL CA C 128 61.754 60.284 1.470 1
1 1375 . 4 1 1 A 129 129 VAL CB C 128 31.449 33.365 -1.916 1
1 1378 . 4 1 1 A 129 129 VAL N N 128 121.005 121.585 -0.580 1
1 1379 . 4 1 1 A 130 130 PHE H H 129 9.293 9.185 0.108 1
1 1380 . 4 1 1 A 130 130 PHE HA H 129 5.819 5.618 0.201 1
1 1388 . 4 1 1 A 130 130 PHE CA C 129 55.600 55.943 -0.343 1
1 1389 . 4 1 1 A 130 130 PHE CB C 129 42.773 42.645 0.128 1
1 1395 . 4 1 1 A 130 130 PHE N N 129 126.384 126.392 -0.008 1
1 1396 . 4 1 1 A 131 131 ILE H H 130 8.555 8.691 -0.136 1
1 1397 . 4 1 1 A 131 131 ILE HA H 130 4.375 4.478 -0.103 1
1 1407 . 4 1 1 A 131 131 ILE CA C 130 63.278 61.631 1.647 1
1 1408 . 4 1 1 A 131 131 ILE CB C 130 37.850 38.357 -0.507 1
1 1412 . 4 1 1 A 131 131 ILE N N 130 118.433 123.660 -5.227 1
1 1413 . 4 1 1 A 132 132 GLY H H 131 9.225 8.455 0.770 1
1 1414 . 4 1 1 A 132 132 GLY HA2 H 131 3.693 4.191 -0.498 1
1 1415 . 4 1 1 A 132 132 GLY HA3 H 131 5.248 4.230 1.018 1
1 1416 . 4 1 1 A 132 132 GLY CA C 131 45.218 45.702 -0.484 1
1 1417 . 4 1 1 A 132 132 GLY N N 131 113.442 113.047 0.395 1
1 1418 . 4 1 1 A 133 133 VAL H H 132 8.177 8.390 -0.213 1
1 1419 . 4 1 1 A 133 133 VAL HA H 132 4.710 4.489 0.221 1
1 1427 . 4 1 1 A 133 133 VAL CA C 132 61.537 63.112 -1.575 1
1 1428 . 4 1 1 A 133 133 VAL CB C 132 33.281 31.182 2.099 1
1 1431 . 4 1 1 A 133 133 VAL N N 132 118.438 120.996 -2.558 1
1 1432 . 4 1 1 A 134 134 LYS H H 133 8.752 8.574 0.178 1
1 1433 . 4 1 1 A 134 134 LYS HA H 133 4.472 3.879 0.593 1
1 1440 . 4 1 1 A 134 134 LYS CA C 133 55.257 58.811 -3.554 1
1 1441 . 4 1 1 A 134 134 LYS CB C 133 35.500 32.836 2.664 1
1 1445 . 4 1 1 A 134 134 LYS N N 133 127.706 130.130 -2.424 1
1 1446 . 4 1 1 A 135 135 ASP H H 134 9.321 7.627 1.694 1
1 1447 . 4 1 1 A 135 135 ASP HA H 134 4.230 4.482 -0.252 1
1 1450 . 4 1 1 A 135 135 ASP CA C 134 55.965 56.130 -0.165 1
1 1451 . 4 1 1 A 135 135 ASP CB C 134 39.212 41.825 -2.613 1
1 1452 . 4 1 1 A 135 135 ASP N N 134 126.815 118.949 7.866 1
1 1453 . 4 1 1 A 136 136 ASN H H 135 8.603 7.830 0.773 1
1 1454 . 4 1 1 A 136 136 ASN HA H 135 4.380 4.962 -0.582 1
1 1457 . 4 1 1 A 136 136 ASN CA C 135 54.117 52.671 1.446 1
1 1458 . 4 1 1 A 136 136 ASN CB C 135 37.384 39.954 -2.570 1
1 1459 . 4 1 1 A 136 136 ASN N N 135 113.023 112.629 0.394 1
1 1460 . 4 1 1 A 137 137 HIS H H 136 8.112 7.308 0.804 1
1 1461 . 4 1 1 A 137 137 HIS HA H 136 5.116 5.165 -0.049 1
1 1465 . 4 1 1 A 137 137 HIS CA C 136 54.190 53.739 0.451 1
1 1466 . 4 1 1 A 137 137 HIS CB C 136 31.681 32.228 -0.547 1
1 1467 . 4 1 1 A 137 137 HIS N N 136 115.753 115.034 0.719 1
1 1468 . 4 1 1 A 138 138 LEU H H 137 8.553 8.614 -0.061 1
1 1469 . 4 1 1 A 138 138 LEU HA H 137 5.251 4.524 0.727 1
1 1479 . 4 1 1 A 138 138 LEU CA C 137 54.147 55.196 -1.049 1
1 1480 . 4 1 1 A 138 138 LEU CB C 137 42.849 42.492 0.357 1
1 1484 . 4 1 1 A 138 138 LEU N N 137 118.446 120.938 -2.492 1
1 1485 . 4 1 1 A 139 139 ALA H H 138 9.357 8.993 0.364 1
1 1486 . 4 1 1 A 139 139 ALA HA H 138 4.760 4.917 -0.157 1
1 1490 . 4 1 1 A 139 139 ALA CA C 138 51.091 51.182 -0.091 1
1 1491 . 4 1 1 A 139 139 ALA CB C 138 22.924 23.625 -0.701 1
1 1492 . 4 1 1 A 139 139 ALA N N 138 126.689 125.554 1.135 1
1 1493 . 4 1 1 A 140 140 LEU H H 139 7.287 8.598 -1.311 1
1 1494 . 4 1 1 A 140 140 LEU HA H 139 5.278 4.650 0.628 1
1 1504 . 4 1 1 A 140 140 LEU CA C 139 53.026 54.487 -1.461 1
1 1505 . 4 1 1 A 140 140 LEU CB C 139 42.025 41.085 0.940 1
1 1509 . 4 1 1 A 140 140 LEU N N 139 116.219 120.483 -4.264 1
1 1510 . 4 1 1 A 141 141 ILE H H 140 9.676 9.330 0.346 1
1 1511 . 4 1 1 A 141 141 ILE HA H 140 4.321 4.626 -0.305 1
1 1521 . 4 1 1 A 141 141 ILE CA C 140 59.331 60.453 -1.122 1
1 1522 . 4 1 1 A 141 141 ILE CB C 140 40.745 38.340 2.405 1
1 1526 . 4 1 1 A 141 141 ILE N N 140 124.052 125.933 -1.881 1
1 1527 . 4 1 1 A 142 142 LYS H H 141 8.665 9.074 -0.409 1
1 1528 . 4 1 1 A 142 142 LYS HA H 141 5.053 4.919 0.134 1
1 1534 . 4 1 1 A 142 142 LYS CA C 141 55.586 55.379 0.207 1
1 1535 . 4 1 1 A 142 142 LYS CB C 141 32.709 33.752 -1.043 1
1 1539 . 4 1 1 A 142 142 LYS N N 141 128.856 129.163 -0.307 1
1 1540 . 4 1 1 A 143 143 VAL H H 142 8.757 9.053 -0.296 1
1 1541 . 4 1 1 A 143 143 VAL HA H 142 4.223 4.997 -0.774 1
1 1549 . 4 1 1 A 143 143 VAL CA C 142 62.032 60.116 1.916 1
1 1550 . 4 1 1 A 143 143 VAL CB C 142 33.008 34.003 -0.995 1
1 1553 . 4 1 1 A 143 143 VAL N N 142 127.220 122.211 5.009 1
1 1554 . 4 1 1 A 144 144 ASP H H 143 8.595 8.973 -0.378 1
1 1555 . 4 1 1 A 144 144 ASP HA H 143 4.698 5.057 -0.359 1
1 1557 . 4 1 1 A 144 144 ASP CB C 143 41.517 44.365 -2.848 1
1 1558 . 4 1 1 A 144 144 ASP N N 143 125.250 121.282 3.968 1
1 1559 . 4 1 1 A 145 145 SER H H 144 8.296 8.653 -0.357 1
1 1560 . 4 1 1 A 145 145 SER HA H 144 4.455 4.377 0.078 1
1 1563 . 4 1 1 A 145 145 SER CA C 144 58.814 58.177 0.637 1
1 1564 . 4 1 1 A 145 145 SER CB C 144 63.202 63.621 -0.419 1
1 1565 . 4 1 1 A 145 145 SER N N 144 116.695 114.802 1.893 1
1 1566 . 4 1 1 A 146 146 SER H H 145 8.512 8.829 -0.317 1
1 1567 . 4 1 1 A 146 146 SER HA H 145 4.393 4.117 0.276 1
1 1570 . 4 1 1 A 146 146 SER CA C 145 59.286 60.898 -1.612 1
1 1571 . 4 1 1 A 146 146 SER CB C 145 63.396 61.375 2.021 1
1 1572 . 4 1 1 A 146 146 SER N N 145 117.509 113.538 3.971 1
1 1573 . 4 1 1 A 147 147 GLU H H 146 8.145 8.042 0.103 1
1 1574 . 4 1 1 A 147 147 GLU HA H 146 4.351 4.461 -0.110 1
1 1578 . 4 1 1 A 147 147 GLU CA C 146 56.389 56.242 0.147 1
1 1579 . 4 1 1 A 147 147 GLU N N 146 121.023 118.169 2.854 1
1 1580 . 4 1 1 A 148 148 ASN H H 147 8.145 7.859 0.286 1
1 1581 . 4 1 1 A 148 148 ASN HA H 147 4.584 4.604 -0.020 1
1 1584 . 4 1 1 A 148 148 ASN CA C 147 53.643 52.791 0.852 1
1 1585 . 4 1 1 A 148 148 ASN CB C 147 38.423 37.898 0.525 1
1 1586 . 4 1 1 A 148 148 ASN N N 147 118.043 115.796 2.247 1
1 1587 . 4 1 1 A 149 149 LEU H H 148 7.953 7.726 0.227 1
1 1588 . 4 1 1 A 149 149 LEU HA H 148 4.294 4.432 -0.138 1
1 1598 . 4 1 1 A 149 149 LEU CA C 148 55.249 55.443 -0.194 1
1 1599 . 4 1 1 A 149 149 LEU CB C 148 42.000 44.108 -2.108 1
1 1603 . 4 1 1 A 149 149 LEU N N 148 120.366 118.435 1.931 1
1 1604 . 4 1 1 A 150 150 CYS H H 149 8.141 7.712 0.429 1
1 1605 . 4 1 1 A 150 150 CYS HA H 149 4.517 4.692 -0.175 1
1 1608 . 4 1 1 A 150 150 CYS CA C 149 57.817 57.785 0.032 1
1 1609 . 4 1 1 A 150 150 CYS CB C 149 27.529 28.022 -0.493 1
1 1610 . 4 1 1 A 150 150 CYS N N 149 118.879 117.686 1.193 1
1 1611 . 4 1 1 A 151 151 THR H H 150 7.892 7.836 0.056 1
1 1612 . 4 1 1 A 151 151 THR HA H 150 4.191 4.715 -0.524 1
1 1617 . 4 1 1 A 151 151 THR CA C 150 61.680 59.674 2.006 1
1 1618 . 4 1 1 A 151 151 THR CB C 150 68.930 69.395 -0.465 1
1 1620 . 4 1 1 A 151 151 THR N N 150 117.354 114.458 2.896 1
1 1621 . 4 1 1 A 152 152 GLU H H 151 8.547 8.836 -0.289 1
1 1622 . 4 1 1 A 152 152 GLU HA H 151 3.600 3.904 -0.304 1
1 1627 . 4 1 1 A 152 152 GLU CA C 151 59.126 58.467 0.659 1
1 1628 . 4 1 1 A 152 152 GLU CB C 151 28.575 28.936 -0.361 1
1 1630 . 4 1 1 A 152 152 GLU N N 151 122.526 123.600 -1.074 1
1 1631 . 4 1 1 A 153 153 ASN H H 152 8.140 8.035 0.105 1
1 1632 . 4 1 1 A 153 153 ASN HA H 152 4.525 4.357 0.168 1
1 1635 . 4 1 1 A 153 153 ASN CA C 152 54.838 56.195 -1.357 1
1 1636 . 4 1 1 A 153 153 ASN CB C 152 37.230 38.498 -1.268 1
1 1637 . 4 1 1 A 153 153 ASN N N 152 113.916 118.290 -4.374 1
1 1638 . 4 1 1 A 154 154 ILE H H 153 6.885 7.190 -0.305 1
1 1639 . 4 1 1 A 154 154 ILE HA H 153 5.150 4.118 1.032 1
1 1649 . 4 1 1 A 154 154 ILE CA C 153 60.523 63.265 -2.742 1
1 1650 . 4 1 1 A 154 154 ILE CB C 153 38.399 37.604 0.795 1
1 1654 . 4 1 1 A 154 154 ILE N N 153 108.606 113.626 -5.020 1
1 1655 . 4 1 1 A 155 155 LEU H H 154 7.162 7.275 -0.113 1
1 1656 . 4 1 1 A 155 155 LEU HA H 154 4.654 4.129 0.525 1
1 1666 . 4 1 1 A 155 155 LEU CA C 154 54.179 55.177 -0.998 1
1 1667 . 4 1 1 A 155 155 LEU CB C 154 43.178 42.069 1.109 1
1 1671 . 4 1 1 A 155 155 LEU N N 154 123.152 124.371 -1.219 1
1 1672 . 4 1 1 A 156 156 PHE H H 155 9.292 9.347 -0.055 1
1 1673 . 4 1 1 A 156 156 PHE HA H 155 5.175 5.281 -0.106 1
1 1681 . 4 1 1 A 156 156 PHE CA C 155 56.409 56.354 0.055 1
1 1682 . 4 1 1 A 156 156 PHE CB C 155 43.001 44.208 -1.207 1
1 1688 . 4 1 1 A 156 156 PHE N N 155 119.900 123.571 -3.671 1
1 1689 . 4 1 1 A 157 157 LYS H H 156 9.195 8.962 0.233 1
1 1690 . 4 1 1 A 157 157 LYS HA H 156 4.966 5.316 -0.350 1
1 1698 . 4 1 1 A 157 157 LYS CA C 156 55.200 54.776 0.424 1
1 1699 . 4 1 1 A 157 157 LYS CB C 156 35.002 36.363 -1.361 1
1 1703 . 4 1 1 A 157 157 LYS N N 156 118.435 119.721 -1.286 1
1 1704 . 4 1 1 A 158 158 LEU H H 157 8.769 9.176 -0.407 1
1 1705 . 4 1 1 A 158 158 LEU HA H 157 5.356 5.480 -0.124 1
1 1715 . 4 1 1 A 158 158 LEU CA C 157 53.173 53.445 -0.272 1
1 1716 . 4 1 1 A 158 158 LEU CB C 157 44.220 44.425 -0.205 1
1 1720 . 4 1 1 A 158 158 LEU N N 157 122.607 123.799 -1.192 1
1 1721 . 4 1 1 A 159 159 SER H H 158 8.462 8.625 -0.163 1
1 1722 . 4 1 1 A 159 159 SER HA H 158 4.854 5.077 -0.223 1
1 1724 . 4 1 1 A 159 159 SER CA C 158 57.305 58.204 -0.899 1
1 1725 . 4 1 1 A 159 159 SER CB C 158 64.330 64.744 -0.414 1
1 1726 . 4 1 1 A 159 159 SER N N 158 116.051 121.657 -5.606 1
1 1727 . 4 1 1 A 160 160 GLU H H 159 9.008 8.671 0.337 1
1 1728 . 4 1 1 A 160 160 GLU HA H 159 4.606 4.894 -0.288 1
1 1732 . 4 1 1 A 160 160 GLU CA C 159 56.956 55.412 1.544 1
1 1733 . 4 1 1 A 160 160 GLU CB C 159 30.452 29.940 0.512 1
1 1735 . 4 1 1 A 160 160 GLU N N 159 124.532 124.028 0.504 1
1 1 . 5 1 1 A 4 4 ILE H H 3 8.198 7.576 0.622 1
1 2 . 5 1 1 A 4 4 ILE HA H 3 4.246 4.144 0.102 1
1 12 . 5 1 1 A 4 4 ILE CA C 3 61.002 62.395 -1.393 1
1 13 . 5 1 1 A 4 4 ILE CB C 3 38.400 39.139 -0.739 1
1 17 . 5 1 1 A 4 4 ILE N N 3 121.904 119.688 2.216 1
1 18 . 5 1 1 A 5 5 THR H H 4 8.045 7.827 0.218 1
1 19 . 5 1 1 A 5 5 THR HA H 4 4.328 4.582 -0.254 1
1 24 . 5 1 1 A 5 5 THR CA C 4 61.754 60.428 1.326 1
1 25 . 5 1 1 A 5 5 THR CB C 4 69.755 69.154 0.601 1
1 27 . 5 1 1 A 5 5 THR N N 4 117.078 110.212 6.866 1
1 28 . 5 1 1 A 6 6 GLY H H 5 8.294 8.236 0.058 1
1 29 . 5 1 1 A 6 6 GLY HA2 H 5 3.978 3.883 0.095 1
1 30 . 5 1 1 A 6 6 GLY HA3 H 5 4.040 3.887 0.153 1
1 31 . 5 1 1 A 6 6 GLY CA C 5 45.204 46.870 -1.666 1
1 32 . 5 1 1 A 6 6 GLY N N 5 110.823 110.249 0.574 1
1 33 . 5 1 1 A 7 7 ILE H H 6 7.850 7.605 0.245 1
1 34 . 5 1 1 A 7 7 ILE HA H 6 4.507 4.746 -0.239 1
1 44 . 5 1 1 A 7 7 ILE CA C 6 61.058 59.052 2.006 1
1 45 . 5 1 1 A 7 7 ILE CB C 6 39.405 40.055 -0.650 1
1 49 . 5 1 1 A 7 7 ILE N N 6 117.894 115.003 2.891 1
1 50 . 5 1 1 A 8 8 SER H H 7 8.484 8.806 -0.322 1
1 51 . 5 1 1 A 8 8 SER HA H 7 5.138 5.073 0.065 1
1 54 . 5 1 1 A 8 8 SER CA C 7 55.586 55.799 -0.213 1
1 55 . 5 1 1 A 8 8 SER CB C 7 63.867 65.756 -1.889 1
1 56 . 5 1 1 A 8 8 SER N N 7 119.581 119.852 -0.271 1
1 57 . 5 1 1 A 9 9 PRO HA H 8 4.070 3.943 0.127 1
1 64 . 5 1 1 A 9 9 PRO CA C 8 62.783 62.542 0.241 1
1 65 . 5 1 1 A 9 9 PRO CB C 8 32.390 31.814 0.576 1
1 68 . 5 1 1 A 10 10 ILE H H 9 8.916 8.746 0.170 1
1 69 . 5 1 1 A 10 10 ILE HA H 9 4.231 4.192 0.039 1
1 79 . 5 1 1 A 10 10 ILE CA C 9 62.297 62.623 -0.326 1
1 80 . 5 1 1 A 10 10 ILE CB C 9 39.145 38.641 0.504 1
1 84 . 5 1 1 A 10 10 ILE N N 9 119.667 119.054 0.613 1
1 85 . 5 1 1 A 11 11 THR H H 10 7.263 7.462 -0.199 1
1 86 . 5 1 1 A 11 11 THR HA H 10 4.577 4.578 -0.001 1
1 91 . 5 1 1 A 11 11 THR CA C 10 60.889 61.352 -0.463 1
1 92 . 5 1 1 A 11 11 THR CB C 10 69.698 71.389 -1.691 1
1 94 . 5 1 1 A 11 11 THR N N 10 112.847 112.464 0.383 1
1 95 . 5 1 1 A 12 12 GLU H H 11 8.157 8.813 -0.656 1
1 96 . 5 1 1 A 12 12 GLU HA H 11 5.689 4.949 0.740 1
1 100 . 5 1 1 A 12 12 GLU CA C 11 54.700 55.576 -0.876 1
1 101 . 5 1 1 A 12 12 GLU CB C 11 33.384 30.946 2.438 1
1 103 . 5 1 1 A 12 12 GLU N N 11 122.192 126.549 -4.357 1
1 104 . 5 1 1 A 13 13 TYR H H 12 8.917 9.210 -0.293 1
1 105 . 5 1 1 A 13 13 TYR HA H 12 4.919 5.217 -0.298 1
1 112 . 5 1 1 A 13 13 TYR CA C 12 56.453 58.000 -1.547 1
1 113 . 5 1 1 A 13 13 TYR CB C 12 40.158 41.213 -1.055 1
1 118 . 5 1 1 A 13 13 TYR N N 12 119.678 124.922 -5.244 1
1 119 . 5 1 1 A 14 14 LEU H H 13 8.420 8.604 -0.184 1
1 120 . 5 1 1 A 14 14 LEU HA H 13 5.201 5.116 0.085 1
1 130 . 5 1 1 A 14 14 LEU CA C 13 53.778 53.747 0.031 1
1 131 . 5 1 1 A 14 14 LEU CB C 13 43.570 43.791 -0.221 1
1 135 . 5 1 1 A 14 14 LEU N N 13 121.655 121.872 -0.217 1
1 136 . 5 1 1 A 15 15 ALA H H 14 9.227 8.794 0.433 1
1 137 . 5 1 1 A 15 15 ALA HA H 14 4.979 4.890 0.089 1
1 141 . 5 1 1 A 15 15 ALA CA C 14 50.832 51.548 -0.716 1
1 142 . 5 1 1 A 15 15 ALA CB C 14 23.479 23.412 0.067 1
1 143 . 5 1 1 A 15 15 ALA N N 14 124.927 125.475 -0.548 1
1 144 . 5 1 1 A 16 16 SER H H 15 9.006 8.853 0.153 1
1 145 . 5 1 1 A 16 16 SER HA H 15 5.044 5.172 -0.128 1
1 148 . 5 1 1 A 16 16 SER CA C 15 57.379 56.632 0.747 1
1 149 . 5 1 1 A 16 16 SER CB C 15 64.811 64.471 0.340 1
1 150 . 5 1 1 A 16 16 SER N N 15 115.217 116.142 -0.925 1
1 151 . 5 1 1 A 17 17 LEU H H 16 9.299 8.773 0.526 1
1 152 . 5 1 1 A 17 17 LEU HA H 16 5.350 4.605 0.745 1
1 162 . 5 1 1 A 17 17 LEU CA C 16 54.150 55.249 -1.099 1
1 163 . 5 1 1 A 17 17 LEU CB C 16 45.483 41.810 3.673 1
1 167 . 5 1 1 A 17 17 LEU N N 16 125.526 126.681 -1.155 1
1 168 . 5 1 1 A 18 18 SER H H 17 9.032 9.281 -0.249 1
1 169 . 5 1 1 A 18 18 SER HA H 17 5.707 5.112 0.595 1
1 172 . 5 1 1 A 18 18 SER CA C 17 56.078 57.379 -1.301 1
1 173 . 5 1 1 A 18 18 SER CB C 17 66.504 65.392 1.112 1
1 174 . 5 1 1 A 18 18 SER N N 17 118.219 122.908 -4.689 1
1 175 . 5 1 1 A 19 19 THR H H 18 9.122 8.909 0.213 1
1 176 . 5 1 1 A 19 19 THR HA H 18 4.651 4.461 0.190 1
1 182 . 5 1 1 A 19 19 THR CA C 18 60.871 61.397 -0.526 1
1 183 . 5 1 1 A 19 19 THR CB C 18 71.214 71.049 0.165 1
1 185 . 5 1 1 A 19 19 THR N N 18 110.542 117.707 -7.165 1
1 186 . 5 1 1 A 20 20 TYR H H 19 7.890 9.056 -1.166 1
1 187 . 5 1 1 A 20 20 TYR HA H 19 3.895 4.184 -0.289 1
1 194 . 5 1 1 A 20 20 TYR CA C 19 61.228 60.282 0.946 1
1 195 . 5 1 1 A 20 20 TYR CB C 19 39.123 39.024 0.099 1
1 200 . 5 1 1 A 20 20 TYR N N 19 119.460 123.184 -3.724 1
1 201 . 5 1 1 A 21 21 ASN H H 20 7.312 7.982 -0.670 1
1 202 . 5 1 1 A 21 21 ASN HA H 20 4.663 4.814 -0.151 1
1 205 . 5 1 1 A 21 21 ASN CA C 20 52.035 52.950 -0.915 1
1 206 . 5 1 1 A 21 21 ASN CB C 20 37.228 38.544 -1.316 1
1 207 . 5 1 1 A 21 21 ASN N N 20 112.235 116.151 -3.916 1
1 208 . 5 1 1 A 22 22 ASP H H 21 7.919 7.664 0.255 1
1 209 . 5 1 1 A 22 22 ASP HA H 21 4.210 4.143 0.067 1
1 212 . 5 1 1 A 22 22 ASP CA C 21 56.289 55.533 0.756 1
1 213 . 5 1 1 A 22 22 ASP CB C 21 38.389 40.438 -2.049 1
1 214 . 5 1 1 A 22 22 ASP N N 21 113.136 117.661 -4.525 1
1 215 . 5 1 1 A 23 23 GLN H H 22 7.621 7.392 0.229 1
1 216 . 5 1 1 A 23 23 GLN HA H 22 4.576 4.667 -0.091 1
1 221 . 5 1 1 A 23 23 GLN CA C 22 55.474 54.823 0.651 1
1 222 . 5 1 1 A 23 23 GLN CB C 22 29.609 29.921 -0.312 1
1 224 . 5 1 1 A 23 23 GLN N N 22 115.930 119.838 -3.908 1
1 225 . 5 1 1 A 24 24 SER H H 23 8.847 8.654 0.193 1
1 226 . 5 1 1 A 24 24 SER HA H 23 4.699 5.146 -0.447 1
1 229 . 5 1 1 A 24 24 SER CA C 23 59.518 56.269 3.249 1
1 230 . 5 1 1 A 24 24 SER CB C 23 64.710 65.672 -0.962 1
1 231 . 5 1 1 A 24 24 SER N N 23 118.760 117.435 1.325 1
1 232 . 5 1 1 A 25 25 ILE H H 24 7.851 8.583 -0.732 1
1 233 . 5 1 1 A 25 25 ILE HA H 24 4.685 4.735 -0.050 1
1 243 . 5 1 1 A 25 25 ILE CA C 24 59.480 60.665 -1.185 1
1 244 . 5 1 1 A 25 25 ILE CB C 24 36.204 38.967 -2.763 1
1 248 . 5 1 1 A 25 25 ILE N N 24 122.951 124.534 -1.583 1
1 249 . 5 1 1 A 26 26 THR H H 25 8.865 8.678 0.187 1
1 250 . 5 1 1 A 26 26 THR HA H 25 4.615 5.054 -0.439 1
1 255 . 5 1 1 A 26 26 THR CA C 25 59.720 61.184 -1.464 1
1 256 . 5 1 1 A 26 26 THR CB C 25 70.755 71.037 -0.282 1
1 258 . 5 1 1 A 26 26 THR N N 25 123.404 122.134 1.270 1
1 259 . 5 1 1 A 27 27 PHE H H 26 8.614 9.272 -0.658 1
1 260 . 5 1 1 A 27 27 PHE HA H 26 4.986 5.022 -0.036 1
1 268 . 5 1 1 A 27 27 PHE CA C 26 55.673 56.368 -0.695 1
1 269 . 5 1 1 A 27 27 PHE CB C 26 40.422 39.921 0.501 1
1 275 . 5 1 1 A 27 27 PHE N N 26 120.710 125.519 -4.809 1
1 276 . 5 1 1 A 28 28 ALA H H 27 8.989 8.855 0.134 1
1 277 . 5 1 1 A 28 28 ALA HA H 27 4.719 4.653 0.066 1
1 281 . 5 1 1 A 28 28 ALA CA C 27 51.105 51.146 -0.041 1
1 282 . 5 1 1 A 28 28 ALA CB C 27 20.169 19.404 0.765 1
1 283 . 5 1 1 A 28 28 ALA N N 27 127.571 128.040 -0.469 1
1 284 . 5 1 1 A 29 29 LEU H H 28 8.302 8.636 -0.334 1
1 285 . 5 1 1 A 29 29 LEU HA H 28 4.388 4.831 -0.443 1
1 295 . 5 1 1 A 29 29 LEU CA C 28 54.689 53.732 0.957 1
1 296 . 5 1 1 A 29 29 LEU CB C 28 42.072 42.685 -0.613 1
1 300 . 5 1 1 A 29 29 LEU N N 28 123.967 124.506 -0.539 1
1 301 . 5 1 1 A 30 30 GLU H H 29 8.426 8.788 -0.362 1
1 302 . 5 1 1 A 30 30 GLU HA H 29 4.383 4.501 -0.118 1
1 306 . 5 1 1 A 30 30 GLU CA C 29 55.674 55.345 0.329 1
1 307 . 5 1 1 A 30 30 GLU CB C 29 30.616 30.950 -0.334 1
1 309 . 5 1 1 A 30 30 GLU N N 29 123.800 123.784 0.016 1
1 310 . 5 1 1 A 31 31 ASP H H 30 8.504 8.907 -0.403 1
1 311 . 5 1 1 A 31 31 ASP HA H 30 4.359 4.274 0.085 1
1 314 . 5 1 1 A 31 31 ASP CA C 30 55.650 57.178 -1.528 1
1 315 . 5 1 1 A 31 31 ASP CB C 30 39.912 40.706 -0.794 1
1 316 . 5 1 1 A 31 31 ASP N N 30 121.263 122.907 -1.644 1
1 317 . 5 1 1 A 32 32 GLU H H 31 8.235 7.959 0.276 1
1 318 . 5 1 1 A 32 32 GLU HA H 31 4.039 4.368 -0.329 1
1 323 . 5 1 1 A 32 32 GLU CA C 31 56.572 55.838 0.734 1
1 324 . 5 1 1 A 32 32 GLU CB C 31 29.099 31.112 -2.013 1
1 326 . 5 1 1 A 32 32 GLU N N 31 115.284 113.436 1.848 1
1 327 . 5 1 1 A 33 33 SER H H 32 7.854 7.392 0.462 1
1 328 . 5 1 1 A 33 33 SER HA H 32 4.556 4.774 -0.218 1
1 330 . 5 1 1 A 33 33 SER CA C 32 57.848 56.883 0.965 1
1 331 . 5 1 1 A 33 33 SER CB C 32 64.080 65.590 -1.510 1
1 332 . 5 1 1 A 33 33 SER N N 32 114.403 115.288 -0.885 1
1 333 . 5 1 1 A 34 34 TYR H H 33 8.117 8.873 -0.756 1
1 334 . 5 1 1 A 34 34 TYR HA H 33 4.995 5.083 -0.088 1
1 341 . 5 1 1 A 34 34 TYR CA C 33 56.928 56.536 0.392 1
1 342 . 5 1 1 A 34 34 TYR CB C 33 39.116 40.856 -1.740 1
1 347 . 5 1 1 A 34 34 TYR N N 33 119.987 120.851 -0.864 1
1 348 . 5 1 1 A 35 35 GLU H H 34 8.466 8.616 -0.150 1
1 349 . 5 1 1 A 35 35 GLU HA H 34 4.574 5.285 -0.711 1
1 352 . 5 1 1 A 35 35 GLU CA C 34 55.417 55.137 0.280 1
1 353 . 5 1 1 A 35 35 GLU CB C 34 33.071 33.206 -0.135 1
1 355 . 5 1 1 A 35 35 GLU N N 34 120.614 123.332 -2.718 1
1 356 . 5 1 1 A 36 36 ILE H H 35 8.485 8.525 -0.040 1
1 357 . 5 1 1 A 36 36 ILE HA H 35 4.713 5.104 -0.391 1
1 367 . 5 1 1 A 36 36 ILE CA C 35 60.138 60.147 -0.009 1
1 368 . 5 1 1 A 36 36 ILE CB C 35 39.383 40.658 -1.275 1
1 372 . 5 1 1 A 36 36 ILE N N 35 121.673 123.603 -1.930 1
1 373 . 5 1 1 A 37 37 TYR H H 36 8.725 8.700 0.025 1
1 374 . 5 1 1 A 37 37 TYR HA H 36 5.148 5.150 -0.002 1
1 380 . 5 1 1 A 37 37 TYR CA C 36 55.698 56.470 -0.772 1
1 381 . 5 1 1 A 37 37 TYR CB C 36 40.866 43.044 -2.178 1
1 386 . 5 1 1 A 37 37 TYR N N 36 125.169 124.489 0.680 1
1 387 . 5 1 1 A 38 38 VAL H H 37 7.859 8.929 -1.070 1
1 388 . 5 1 1 A 38 38 VAL HA H 37 4.636 4.639 -0.003 1
1 396 . 5 1 1 A 38 38 VAL CA C 37 60.937 61.820 -0.883 1
1 397 . 5 1 1 A 38 38 VAL CB C 37 32.382 32.255 0.127 1
1 400 . 5 1 1 A 38 38 VAL N N 37 120.727 123.253 -2.526 1
1 401 . 5 1 1 A 39 39 GLU H H 38 8.885 8.785 0.100 1
1 402 . 5 1 1 A 39 39 GLU HA H 38 4.690 4.845 -0.155 1
1 407 . 5 1 1 A 39 39 GLU CA C 38 55.174 54.693 0.481 1
1 408 . 5 1 1 A 39 39 GLU CB C 38 33.421 31.407 2.014 1
1 410 . 5 1 1 A 39 39 GLU N N 38 124.823 127.467 -2.644 1
1 411 . 5 1 1 A 40 40 ASP H H 39 8.646 8.770 -0.124 1
1 412 . 5 1 1 A 40 40 ASP HA H 39 4.721 5.366 -0.645 1
1 415 . 5 1 1 A 40 40 ASP CA C 39 54.340 52.738 1.602 1
1 416 . 5 1 1 A 40 40 ASP CB C 39 40.839 42.312 -1.473 1
1 417 . 5 1 1 A 40 40 ASP N N 39 122.400 120.716 1.684 1
1 418 . 5 1 1 A 41 41 LEU H H 40 8.133 9.030 -0.897 1
1 419 . 5 1 1 A 41 41 LEU HA H 40 4.430 4.843 -0.413 1
1 429 . 5 1 1 A 41 41 LEU CA C 40 54.553 53.311 1.242 1
1 430 . 5 1 1 A 41 41 LEU CB C 40 42.942 44.130 -1.188 1
1 434 . 5 1 1 A 41 41 LEU N N 40 122.394 124.337 -1.943 1
1 435 . 5 1 1 A 42 42 LYS H H 41 8.659 8.903 -0.244 1
1 436 . 5 1 1 A 42 42 LYS HA H 41 4.357 4.581 -0.224 1
1 442 . 5 1 1 A 42 42 LYS CA C 41 55.924 56.972 -1.048 1
1 443 . 5 1 1 A 42 42 LYS CB C 41 32.421 35.275 -2.854 1
1 447 . 5 1 1 A 42 42 LYS N N 41 122.920 121.159 1.761 1
1 448 . 5 1 1 A 43 43 LYS H H 42 8.371 7.994 0.377 1
1 449 . 5 1 1 A 43 43 LYS HA H 42 4.223 4.603 -0.380 1
1 455 . 5 1 1 A 43 43 LYS CA C 42 56.924 54.849 2.075 1
1 456 . 5 1 1 A 43 43 LYS CB C 42 32.671 33.992 -1.321 1
1 460 . 5 1 1 A 43 43 LYS N N 42 121.924 117.863 4.061 1
1 461 . 5 1 1 A 44 44 ASP H H 43 8.355 8.477 -0.122 1
1 462 . 5 1 1 A 44 44 ASP HA H 43 4.556 4.657 -0.101 1
1 464 . 5 1 1 A 44 44 ASP CA C 43 54.243 53.478 0.765 1
1 465 . 5 1 1 A 44 44 ASP CB C 43 40.582 39.509 1.073 1
1 466 . 5 1 1 A 44 44 ASP N N 43 118.485 122.043 -3.558 1
1 467 . 5 1 1 A 45 45 GLU H H 44 8.011 8.292 -0.281 1
1 468 . 5 1 1 A 45 45 GLU HA H 44 4.313 4.872 -0.559 1
1 473 . 5 1 1 A 45 45 GLU CA C 44 56.362 54.956 1.406 1
1 474 . 5 1 1 A 45 45 GLU CB C 44 30.265 31.009 -0.744 1
1 476 . 5 1 1 A 45 45 GLU N N 44 119.516 124.635 -5.119 1
1 477 . 5 1 1 A 46 46 LYS H H 45 8.304 8.573 -0.269 1
1 478 . 5 1 1 A 46 46 LYS HA H 45 4.307 4.350 -0.043 1
1 485 . 5 1 1 A 46 46 LYS CA C 45 56.424 56.841 -0.417 1
1 486 . 5 1 1 A 46 46 LYS CB C 45 32.421 33.224 -0.803 1
1 490 . 5 1 1 A 46 46 LYS N N 45 121.875 124.391 -2.516 1
1 491 . 5 1 1 A 47 47 LYS H H 46 8.280 8.672 -0.392 1
1 492 . 5 1 1 A 47 47 LYS HA H 46 4.469 4.820 -0.351 1
1 498 . 5 1 1 A 47 47 LYS CA C 46 55.514 54.221 1.293 1
1 499 . 5 1 1 A 47 47 LYS CB C 46 33.264 35.691 -2.427 1
1 503 . 5 1 1 A 47 47 LYS N N 46 122.374 120.266 2.108 1
1 504 . 5 1 1 A 48 48 ASP H H 47 8.778 8.512 0.266 1
1 505 . 5 1 1 A 48 48 ASP HA H 47 4.811 4.924 -0.113 1
1 507 . 5 1 1 A 48 48 ASP CA C 47 54.357 54.397 -0.040 1
1 508 . 5 1 1 A 48 48 ASP CB C 47 41.842 41.489 0.353 1
1 509 . 5 1 1 A 48 48 ASP N N 47 122.211 120.064 2.147 1
1 510 . 5 1 1 A 49 49 LYS H H 48 8.388 8.456 -0.068 1
1 511 . 5 1 1 A 49 49 LYS HA H 48 4.593 4.924 -0.331 1
1 519 . 5 1 1 A 49 49 LYS CA C 48 55.134 55.062 0.072 1
1 520 . 5 1 1 A 49 49 LYS CB C 48 34.993 34.661 0.332 1
1 524 . 5 1 1 A 49 49 LYS N N 48 120.889 122.301 -1.412 1
1 525 . 5 1 1 A 50 50 VAL H H 49 9.063 8.877 0.186 1
1 526 . 5 1 1 A 50 50 VAL HA H 49 4.097 4.763 -0.666 1
1 534 . 5 1 1 A 50 50 VAL CA C 49 59.275 60.986 -1.711 1
1 535 . 5 1 1 A 50 50 VAL CB C 49 33.958 34.748 -0.790 1
1 538 . 5 1 1 A 50 50 VAL N N 49 118.350 123.165 -4.815 1
1 539 . 5 1 1 A 51 51 LEU H H 50 8.238 8.704 -0.466 1
1 540 . 5 1 1 A 51 51 LEU HA H 50 4.561 4.790 -0.229 1
1 550 . 5 1 1 A 51 51 LEU CA C 50 54.877 54.303 0.574 1
1 551 . 5 1 1 A 51 51 LEU CB C 50 42.481 43.338 -0.857 1
1 555 . 5 1 1 A 51 51 LEU N N 50 125.236 129.266 -4.030 1
1 556 . 5 1 1 A 52 52 LEU H H 51 9.286 9.274 0.012 1
1 557 . 5 1 1 A 52 52 LEU HA H 51 5.190 5.401 -0.211 1
1 567 . 5 1 1 A 52 52 LEU CA C 51 54.228 53.766 0.462 1
1 568 . 5 1 1 A 52 52 LEU CB C 51 42.961 42.183 0.778 1
1 572 . 5 1 1 A 52 52 LEU N N 51 134.513 130.475 4.038 1
1 573 . 5 1 1 A 53 53 SER H H 52 7.992 8.963 -0.971 1
1 574 . 5 1 1 A 53 53 SER HA H 52 5.233 5.256 -0.023 1
1 577 . 5 1 1 A 53 53 SER CA C 52 56.869 57.576 -0.707 1
1 578 . 5 1 1 A 53 53 SER CB C 52 62.776 64.680 -1.904 1
1 579 . 5 1 1 A 53 53 SER N N 52 117.641 121.393 -3.752 1
1 580 . 5 1 1 A 54 54 TYR H H 53 8.703 8.959 -0.256 1
1 581 . 5 1 1 A 54 54 TYR HA H 53 5.611 5.310 0.301 1
1 588 . 5 1 1 A 54 54 TYR CA C 53 56.264 57.509 -1.245 1
1 589 . 5 1 1 A 54 54 TYR CB C 53 40.455 41.179 -0.724 1
1 594 . 5 1 1 A 54 54 TYR N N 53 122.503 126.147 -3.644 1
1 595 . 5 1 1 A 55 55 TYR H H 54 9.813 9.203 0.610 1
1 596 . 5 1 1 A 55 55 TYR HA H 54 4.983 5.111 -0.128 1
1 603 . 5 1 1 A 55 55 TYR CA C 54 56.465 56.270 0.195 1
1 604 . 5 1 1 A 55 55 TYR CB C 54 41.898 43.003 -1.105 1
1 609 . 5 1 1 A 55 55 TYR N N 54 120.204 120.236 -0.032 1
1 610 . 5 1 1 A 56 56 GLU H H 55 8.804 8.761 0.043 1
1 611 . 5 1 1 A 56 56 GLU HA H 55 4.913 4.883 0.030 1
1 616 . 5 1 1 A 56 56 GLU CA C 55 55.700 55.446 0.254 1
1 617 . 5 1 1 A 56 56 GLU CB C 55 31.684 31.175 0.509 1
1 619 . 5 1 1 A 56 56 GLU N N 55 120.472 122.904 -2.432 1
1 620 . 5 1 1 A 57 57 SER H H 56 8.580 8.316 0.264 1
1 621 . 5 1 1 A 57 57 SER HA H 56 4.619 4.755 -0.136 1
1 624 . 5 1 1 A 57 57 SER CA C 56 57.332 56.541 0.791 1
1 625 . 5 1 1 A 57 57 SER CB C 56 64.338 63.970 0.368 1
1 626 . 5 1 1 A 57 57 SER N N 56 117.342 120.787 -3.445 1
1 627 . 5 1 1 A 58 58 GLN H H 57 8.426 8.550 -0.124 1
1 628 . 5 1 1 A 58 58 GLN HA H 57 4.482 4.992 -0.510 1
1 632 . 5 1 1 A 58 58 GLN CA C 57 55.364 54.368 0.996 1
1 633 . 5 1 1 A 58 58 GLN CB C 57 29.603 30.956 -1.353 1
1 635 . 5 1 1 A 58 58 GLN N N 57 121.444 125.583 -4.139 1
1 636 . 5 1 1 A 59 59 HIS H H 58 8.481 8.647 -0.166 1
1 637 . 5 1 1 A 59 59 HIS HA H 58 4.862 4.568 0.294 1
1 641 . 5 1 1 A 59 59 HIS CA C 58 54.055 55.316 -1.261 1
1 642 . 5 1 1 A 59 59 HIS CB C 58 30.237 29.909 0.328 1
1 643 . 5 1 1 A 59 59 HIS N N 58 122.199 122.254 -0.055 1
1 644 . 5 1 1 A 60 60 PRO HA H 59 4.506 4.309 0.197 1
1 650 . 5 1 1 A 60 60 PRO CA C 59 63.254 64.872 -1.618 1
1 651 . 5 1 1 A 60 60 PRO CB C 59 31.829 31.891 -0.062 1
1 654 . 5 1 1 A 62 62 ASN H H 61 8.465 7.906 0.559 1
1 655 . 5 1 1 A 62 62 ASN HA H 61 4.769 4.761 0.008 1
1 657 . 5 1 1 A 62 62 ASN CA C 61 53.310 52.406 0.904 1
1 658 . 5 1 1 A 62 62 ASN CB C 61 38.545 37.855 0.690 1
1 659 . 5 1 1 A 62 62 ASN N N 61 120.049 122.397 -2.348 1
1 660 . 5 1 1 A 63 63 GLU H H 62 8.369 8.577 -0.208 1
1 661 . 5 1 1 A 63 63 GLU HA H 62 4.348 4.525 -0.177 1
1 666 . 5 1 1 A 63 63 GLU CA C 62 56.828 57.614 -0.786 1
1 667 . 5 1 1 A 63 63 GLU CB C 62 30.044 30.843 -0.799 1
1 669 . 5 1 1 A 63 63 GLU N N 62 120.260 126.709 -6.449 1
1 670 . 5 1 1 A 64 64 SER H H 63 8.254 7.971 0.283 1
1 671 . 5 1 1 A 64 64 SER HA H 63 4.494 4.542 -0.048 1
1 674 . 5 1 1 A 64 64 SER CA C 63 58.213 57.249 0.964 1
1 675 . 5 1 1 A 64 64 SER CB C 63 63.799 62.811 0.988 1
1 676 . 5 1 1 A 64 64 SER N N 63 115.291 113.716 1.575 1
1 677 . 5 1 1 A 65 65 GLY H H 64 8.294 8.569 -0.275 1
1 678 . 5 1 1 A 65 65 GLY HA2 H 64 4.001 4.083 -0.082 1
1 679 . 5 1 1 A 65 65 GLY CA C 64 45.306 45.095 0.211 1
1 680 . 5 1 1 A 65 65 GLY N N 64 110.364 113.740 -3.376 1
1 681 . 5 1 1 A 66 66 ASP H H 65 8.227 8.076 0.151 1
1 682 . 5 1 1 A 66 66 ASP HA H 65 4.664 4.303 0.361 1
1 684 . 5 1 1 A 66 66 ASP CA C 65 54.180 55.092 -0.912 1
1 685 . 5 1 1 A 66 66 ASP CB C 65 41.160 39.304 1.856 1
1 686 . 5 1 1 A 66 66 ASP N N 65 119.894 117.524 2.370 1
1 687 . 5 1 1 A 67 67 GLY H H 66 8.379 8.057 0.322 1
1 688 . 5 1 1 A 67 67 GLY HA2 H 66 3.997 4.203 -0.206 1
1 689 . 5 1 1 A 67 67 GLY CA C 66 45.216 46.117 -0.901 1
1 690 . 5 1 1 A 67 67 GLY N N 66 108.939 109.435 -0.496 1
1 691 . 5 1 1 A 68 68 VAL H H 67 8.008 8.331 -0.323 1
1 692 . 5 1 1 A 68 68 VAL HA H 67 4.164 4.495 -0.331 1
1 700 . 5 1 1 A 68 68 VAL CA C 67 62.133 60.413 1.720 1
1 701 . 5 1 1 A 68 68 VAL CB C 67 32.509 31.027 1.482 1
1 704 . 5 1 1 A 68 68 VAL N N 67 118.651 119.407 -0.756 1
1 705 . 5 1 1 A 69 69 ASP H H 68 8.441 8.014 0.427 1
1 706 . 5 1 1 A 69 69 ASP HA H 68 4.664 4.319 0.345 1
1 709 . 5 1 1 A 69 69 ASP CA C 68 54.211 54.843 -0.632 1
1 710 . 5 1 1 A 69 69 ASP CB C 68 40.995 39.353 1.642 1
1 711 . 5 1 1 A 69 69 ASP N N 68 122.953 117.406 5.547 1
1 712 . 5 1 1 A 70 70 GLY H H 69 8.231 8.390 -0.159 1
1 713 . 5 1 1 A 70 70 GLY HA2 H 69 3.980 3.943 0.037 1
1 714 . 5 1 1 A 70 70 GLY CA C 69 45.347 45.753 -0.406 1
1 715 . 5 1 1 A 70 70 GLY N N 69 108.501 110.420 -1.919 1
1 716 . 5 1 1 A 71 71 LYS H H 70 8.097 7.405 0.692 1
1 717 . 5 1 1 A 71 71 LYS HA H 70 4.552 4.342 0.210 1
1 725 . 5 1 1 A 71 71 LYS CA C 70 55.514 55.555 -0.041 1
1 726 . 5 1 1 A 71 71 LYS CB C 70 33.267 32.976 0.291 1
1 730 . 5 1 1 A 71 71 LYS N N 70 120.089 119.216 0.873 1
1 731 . 5 1 1 A 72 72 MET H H 71 8.485 8.429 0.056 1
1 732 . 5 1 1 A 72 72 MET HA H 71 4.622 4.483 0.139 1
1 740 . 5 1 1 A 72 72 MET CA C 71 54.810 55.214 -0.404 1
1 741 . 5 1 1 A 72 72 MET CB C 71 34.060 32.898 1.162 1
1 744 . 5 1 1 A 72 72 MET N N 71 121.815 121.844 -0.029 1
1 745 . 5 1 1 A 73 73 LEU H H 72 8.792 8.773 0.019 1
1 746 . 5 1 1 A 73 73 LEU HA H 72 5.140 5.002 0.138 1
1 756 . 5 1 1 A 73 73 LEU CA C 72 53.671 53.882 -0.211 1
1 757 . 5 1 1 A 73 73 LEU CB C 72 44.258 43.754 0.504 1
1 761 . 5 1 1 A 73 73 LEU N N 72 124.871 125.655 -0.784 1
1 762 . 5 1 1 A 74 74 MET H H 73 9.089 8.929 0.160 1
1 763 . 5 1 1 A 74 74 MET HA H 73 5.741 5.381 0.360 1
1 770 . 5 1 1 A 74 74 MET CA C 73 53.328 54.305 -0.977 1
1 771 . 5 1 1 A 74 74 MET CB C 73 36.526 34.762 1.764 1
1 774 . 5 1 1 A 74 74 MET N N 73 119.200 122.991 -3.791 1
1 775 . 5 1 1 A 75 75 VAL H H 74 10.046 8.893 1.153 1
1 776 . 5 1 1 A 75 75 VAL HA H 74 6.298 5.182 1.116 1
1 784 . 5 1 1 A 75 75 VAL CA C 74 58.377 60.524 -2.147 1
1 785 . 5 1 1 A 75 75 VAL CB C 74 36.528 35.461 1.067 1
1 788 . 5 1 1 A 75 75 VAL N N 74 116.505 120.036 -3.531 1
1 789 . 5 1 1 A 76 76 THR H H 75 8.519 9.065 -0.546 1
1 790 . 5 1 1 A 76 76 THR HA H 75 4.978 5.404 -0.426 1
1 795 . 5 1 1 A 76 76 THR CA C 75 59.451 60.226 -0.775 1
1 796 . 5 1 1 A 76 76 THR CB C 75 71.755 71.287 0.468 1
1 798 . 5 1 1 A 76 76 THR N N 75 111.166 119.764 -8.598 1
1 799 . 5 1 1 A 77 77 LEU H H 76 10.195 9.204 0.991 1
1 800 . 5 1 1 A 77 77 LEU HA H 76 5.175 5.136 0.039 1
1 810 . 5 1 1 A 77 77 LEU CA C 76 55.214 53.400 1.814 1
1 811 . 5 1 1 A 77 77 LEU CB C 76 45.718 43.043 2.675 1
1 815 . 5 1 1 A 77 77 LEU N N 76 121.235 126.607 -5.372 1
1 816 . 5 1 1 A 78 78 SER H H 77 8.596 8.814 -0.218 1
1 817 . 5 1 1 A 78 78 SER HA H 77 5.427 4.798 0.629 1
1 821 . 5 1 1 A 78 78 SER CA C 77 52.060 55.522 -3.462 1
1 822 . 5 1 1 A 78 78 SER CB C 77 63.768 64.095 -0.327 1
1 823 . 5 1 1 A 78 78 SER N N 77 116.108 119.360 -3.252 1
1 824 . 5 1 1 A 79 79 PRO HA H 78 4.257 4.362 -0.105 1
1 831 . 5 1 1 A 79 79 PRO CA C 78 62.972 63.887 -0.915 1
1 832 . 5 1 1 A 79 79 PRO CB C 78 31.667 31.503 0.164 1
1 835 . 5 1 1 A 80 80 THR H H 79 6.796 7.178 -0.382 1
1 836 . 5 1 1 A 80 80 THR HA H 79 4.204 4.623 -0.419 1
1 842 . 5 1 1 A 80 80 THR CA C 79 60.016 60.084 -0.068 1
1 843 . 5 1 1 A 80 80 THR CB C 79 68.509 71.174 -2.665 1
1 845 . 5 1 1 A 80 80 THR N N 79 110.183 107.498 2.685 1
1 846 . 5 1 1 A 81 81 LYS H H 80 7.638 8.718 -1.080 1
1 847 . 5 1 1 A 81 81 LYS HA H 80 3.744 4.078 -0.334 1
1 853 . 5 1 1 A 81 81 LYS CA C 80 58.578 58.650 -0.072 1
1 854 . 5 1 1 A 81 81 LYS CB C 80 32.325 32.244 0.081 1
1 858 . 5 1 1 A 81 81 LYS N N 80 124.973 119.535 5.438 1
1 859 . 5 1 1 A 82 82 ASP H H 81 8.255 7.666 0.589 1
1 860 . 5 1 1 A 82 82 ASP HA H 81 4.277 3.937 0.340 1
1 863 . 5 1 1 A 82 82 ASP CA C 81 57.378 55.520 1.858 1
1 864 . 5 1 1 A 82 82 ASP CB C 81 39.348 41.083 -1.735 1
1 865 . 5 1 1 A 82 82 ASP N N 81 117.344 116.632 0.712 1
1 866 . 5 1 1 A 83 83 PHE H H 82 7.880 7.248 0.632 1
1 867 . 5 1 1 A 83 83 PHE HA H 82 5.243 4.365 0.878 1
1 875 . 5 1 1 A 83 83 PHE CA C 82 56.927 59.634 -2.707 1
1 876 . 5 1 1 A 83 83 PHE CB C 82 41.679 39.617 2.062 1
1 881 . 5 1 1 A 83 83 PHE N N 82 115.687 118.144 -2.457 1
1 882 . 5 1 1 A 84 84 TRP H H 83 8.718 9.052 -0.334 1
1 883 . 5 1 1 A 84 84 TRP HA H 83 5.445 5.072 0.373 1
1 892 . 5 1 1 A 84 84 TRP CA C 83 57.105 56.228 0.877 1
1 893 . 5 1 1 A 84 84 TRP CB C 83 33.602 32.617 0.985 1
1 898 . 5 1 1 A 84 84 TRP N N 83 119.999 123.849 -3.850 1
1 900 . 5 1 1 A 85 85 LEU H H 84 8.738 8.129 0.609 1
1 901 . 5 1 1 A 85 85 LEU HA H 84 4.802 4.823 -0.021 1
1 911 . 5 1 1 A 85 85 LEU CA C 84 56.224 54.700 1.524 1
1 912 . 5 1 1 A 85 85 LEU CB C 84 42.532 43.013 -0.481 1
1 916 . 5 1 1 A 85 85 LEU N N 84 123.889 122.990 0.899 1
1 917 . 5 1 1 A 86 86 HIS H H 85 9.563 9.218 0.345 1
1 918 . 5 1 1 A 86 86 HIS HA H 85 5.027 5.387 -0.360 1
1 923 . 5 1 1 A 86 86 HIS CA C 85 54.704 54.913 -0.209 1
1 924 . 5 1 1 A 86 86 HIS CB C 85 33.214 33.523 -0.309 1
1 926 . 5 1 1 A 86 86 HIS N N 85 121.782 121.426 0.356 1
1 927 . 5 1 1 A 87 87 ALA H H 86 8.544 8.461 0.083 1
1 928 . 5 1 1 A 87 87 ALA HA H 86 4.614 4.881 -0.267 1
1 932 . 5 1 1 A 87 87 ALA CA C 86 52.098 51.371 0.727 1
1 933 . 5 1 1 A 87 87 ALA CB C 86 20.690 20.231 0.459 1
1 934 . 5 1 1 A 87 87 ALA N N 86 125.230 125.562 -0.332 1
1 935 . 5 1 1 A 88 88 ASN H H 87 8.846 8.849 -0.003 1
1 936 . 5 1 1 A 88 88 ASN HA H 87 4.862 4.788 0.074 1
1 939 . 5 1 1 A 88 88 ASN CA C 87 51.444 52.025 -0.581 1
1 940 . 5 1 1 A 88 88 ASN CB C 87 37.171 38.513 -1.342 1
1 941 . 5 1 1 A 88 88 ASN N N 87 121.260 122.411 -1.151 1
1 942 . 5 1 1 A 89 89 ASN H H 88 8.638 8.974 -0.336 1
1 943 . 5 1 1 A 89 89 ASN HA H 88 4.284 4.444 -0.160 1
1 946 . 5 1 1 A 89 89 ASN CA C 88 55.788 54.155 1.633 1
1 947 . 5 1 1 A 89 89 ASN CB C 88 37.818 37.602 0.216 1
1 948 . 5 1 1 A 89 89 ASN N N 88 121.570 124.119 -2.549 1
1 949 . 5 1 1 A 90 90 LYS H H 89 8.196 7.463 0.733 1
1 950 . 5 1 1 A 90 90 LYS HA H 89 4.101 4.059 0.042 1
1 957 . 5 1 1 A 90 90 LYS CA C 89 58.402 59.653 -1.251 1
1 958 . 5 1 1 A 90 90 LYS CB C 89 32.018 32.463 -0.445 1
1 962 . 5 1 1 A 90 90 LYS N N 89 119.566 118.948 0.618 1
1 963 . 5 1 1 A 91 91 GLU H H 90 6.917 7.903 -0.986 1
1 964 . 5 1 1 A 91 91 GLU HA H 90 4.378 4.633 -0.255 1
1 969 . 5 1 1 A 91 91 GLU CA C 90 54.864 55.995 -1.131 1
1 970 . 5 1 1 A 91 91 GLU CB C 90 29.597 30.002 -0.405 1
1 972 . 5 1 1 A 91 91 GLU N N 90 114.145 116.058 -1.913 1
1 973 . 5 1 1 A 92 92 HIS H H 91 7.738 7.628 0.110 1
1 974 . 5 1 1 A 92 92 HIS HA H 91 4.181 4.226 -0.045 1
1 978 . 5 1 1 A 92 92 HIS CA C 91 57.189 56.792 0.397 1
1 979 . 5 1 1 A 92 92 HIS CB C 91 26.154 26.649 -0.495 1
1 980 . 5 1 1 A 92 92 HIS N N 91 115.238 116.144 -0.906 1
1 981 . 5 1 1 A 93 93 SER H H 92 8.415 7.422 0.993 1
1 982 . 5 1 1 A 93 93 SER HA H 92 5.185 5.126 0.059 1
1 985 . 5 1 1 A 93 93 SER CA C 92 56.374 56.877 -0.503 1
1 986 . 5 1 1 A 93 93 SER CB C 92 67.005 67.068 -0.063 1
1 987 . 5 1 1 A 93 93 SER N N 92 113.966 110.574 3.392 1
1 988 . 5 1 1 A 94 94 VAL H H 93 8.251 8.805 -0.554 1
1 989 . 5 1 1 A 94 94 VAL HA H 93 4.868 4.821 0.047 1
1 997 . 5 1 1 A 94 94 VAL CA C 93 60.478 61.959 -1.481 1
1 998 . 5 1 1 A 94 94 VAL CB C 93 33.120 32.293 0.827 1
1 1001 . 5 1 1 A 94 94 VAL N N 93 116.256 122.112 -5.856 1
1 1002 . 5 1 1 A 95 95 GLU H H 94 8.904 9.058 -0.154 1
1 1003 . 5 1 1 A 95 95 GLU HA H 94 4.878 4.976 -0.098 1
1 1008 . 5 1 1 A 95 95 GLU CA C 94 53.455 54.560 -1.105 1
1 1009 . 5 1 1 A 95 95 GLU CB C 94 34.430 33.600 0.830 1
1 1011 . 5 1 1 A 95 95 GLU N N 94 122.142 126.527 -4.385 1
1 1012 . 5 1 1 A 96 96 LEU H H 95 8.237 8.105 0.132 1
1 1013 . 5 1 1 A 96 96 LEU HA H 95 4.974 5.573 -0.599 1
1 1023 . 5 1 1 A 96 96 LEU CA C 95 53.731 53.964 -0.233 1
1 1024 . 5 1 1 A 96 96 LEU CB C 95 43.478 43.391 0.087 1
1 1028 . 5 1 1 A 96 96 LEU N N 95 121.305 122.702 -1.397 1
1 1029 . 5 1 1 A 97 97 HIS H H 96 8.294 9.623 -1.329 1
1 1030 . 5 1 1 A 97 97 HIS HA H 96 4.947 5.200 -0.253 1
1 1034 . 5 1 1 A 97 97 HIS CA C 96 54.144 54.355 -0.211 1
1 1035 . 5 1 1 A 97 97 HIS CB C 96 33.344 34.350 -1.006 1
1 1036 . 5 1 1 A 97 97 HIS N N 96 119.193 121.841 -2.648 1
1 1037 . 5 1 1 A 98 98 LYS H H 97 8.582 8.956 -0.374 1
1 1038 . 5 1 1 A 98 98 LYS HA H 97 4.564 5.027 -0.463 1
1 1046 . 5 1 1 A 98 98 LYS CA C 97 55.190 54.952 0.238 1
1 1047 . 5 1 1 A 98 98 LYS CB C 97 31.941 35.004 -3.063 1
1 1051 . 5 1 1 A 98 98 LYS N N 97 127.478 122.530 4.948 1
1 1052 . 5 1 1 A 99 99 CYS H H 98 8.695 8.797 -0.102 1
1 1053 . 5 1 1 A 99 99 CYS HA H 98 4.822 5.021 -0.199 1
1 1056 . 5 1 1 A 99 99 CYS CA C 98 57.391 57.856 -0.465 1
1 1057 . 5 1 1 A 99 99 CYS CB C 98 30.916 32.386 -1.470 1
1 1058 . 5 1 1 A 99 99 CYS N N 98 122.622 123.351 -0.729 1
1 1059 . 5 1 1 A 100 100 GLU H H 99 8.251 8.707 -0.456 1
1 1060 . 5 1 1 A 100 100 GLU HA H 99 4.513 4.386 0.127 1
1 1064 . 5 1 1 A 100 100 GLU CA C 99 54.674 56.635 -1.961 1
1 1065 . 5 1 1 A 100 100 GLU CB C 99 31.421 30.676 0.745 1
1 1067 . 5 1 1 A 100 100 GLU N N 99 121.252 121.562 -0.310 1
1 1068 . 5 1 1 A 101 101 LYS H H 100 8.195 9.001 -0.806 1
1 1069 . 5 1 1 A 101 101 LYS HA H 100 3.953 3.997 -0.044 1
1 1077 . 5 1 1 A 101 101 LYS CA C 100 55.042 61.364 -6.322 1
1 1078 . 5 1 1 A 101 101 LYS CB C 100 31.473 30.236 1.237 1
1 1082 . 5 1 1 A 101 101 LYS N N 100 118.588 123.732 -5.144 1
1 1083 . 5 1 1 A 102 102 PRO HA H 101 4.447 4.379 0.068 1
1 1090 . 5 1 1 A 102 102 PRO CA C 101 61.513 63.047 -1.534 1
1 1091 . 5 1 1 A 102 102 PRO CB C 101 34.073 30.954 3.119 1
1 1094 . 5 1 1 A 103 103 LEU H H 102 8.384 8.181 0.203 1
1 1095 . 5 1 1 A 103 103 LEU HA H 102 4.175 4.327 -0.152 1
1 1105 . 5 1 1 A 103 103 LEU CA C 102 52.733 52.726 0.007 1
1 1106 . 5 1 1 A 103 103 LEU CB C 102 41.000 41.438 -0.438 1
1 1110 . 5 1 1 A 103 103 LEU N N 102 123.679 124.155 -0.476 1
1 1111 . 5 1 1 A 104 104 PRO HA H 103 4.658 4.635 0.023 1
1 1118 . 5 1 1 A 104 104 PRO CA C 103 61.564 62.132 -0.568 1
1 1119 . 5 1 1 A 104 104 PRO CB C 103 32.310 33.099 -0.789 1
1 1122 . 5 1 1 A 105 105 ASP H H 104 8.605 8.673 -0.068 1
1 1123 . 5 1 1 A 105 105 ASP HA H 104 4.275 4.385 -0.110 1
1 1126 . 5 1 1 A 105 105 ASP CA C 104 57.659 56.746 0.913 1
1 1127 . 5 1 1 A 105 105 ASP CB C 104 40.754 40.404 0.350 1
1 1128 . 5 1 1 A 105 105 ASP N N 104 119.037 120.798 -1.761 1
1 1129 . 5 1 1 A 106 106 GLN H H 105 8.330 7.894 0.436 1
1 1130 . 5 1 1 A 106 106 GLN HA H 105 4.189 4.025 0.164 1
1 1135 . 5 1 1 A 106 106 GLN CA C 105 58.516 57.777 0.739 1
1 1136 . 5 1 1 A 106 106 GLN CB C 105 27.206 28.547 -1.341 1
1 1138 . 5 1 1 A 106 106 GLN N N 105 113.235 118.860 -5.625 1
1 1139 . 5 1 1 A 107 107 ALA H H 106 7.763 7.418 0.345 1
1 1140 . 5 1 1 A 107 107 ALA HA H 106 4.862 4.001 0.861 1
1 1144 . 5 1 1 A 107 107 ALA CA C 106 50.856 52.888 -2.032 1
1 1145 . 5 1 1 A 107 107 ALA CB C 106 18.420 19.276 -0.856 1
1 1146 . 5 1 1 A 107 107 ALA N N 106 121.188 121.092 0.096 1
1 1147 . 5 1 1 A 108 108 PHE H H 107 7.291 6.955 0.336 1
1 1148 . 5 1 1 A 108 108 PHE HA H 107 4.675 4.738 -0.063 1
1 1156 . 5 1 1 A 108 108 PHE CA C 107 57.225 56.189 1.036 1
1 1157 . 5 1 1 A 108 108 PHE CB C 107 41.449 39.582 1.867 1
1 1163 . 5 1 1 A 108 108 PHE N N 107 114.254 115.671 -1.417 1
1 1164 . 5 1 1 A 109 109 PHE H H 108 9.089 9.099 -0.010 1
1 1165 . 5 1 1 A 109 109 PHE HA H 108 5.216 5.077 0.139 1
1 1173 . 5 1 1 A 109 109 PHE CA C 108 55.752 56.582 -0.830 1
1 1174 . 5 1 1 A 109 109 PHE CB C 108 41.744 42.079 -0.335 1
1 1180 . 5 1 1 A 109 109 PHE N N 108 119.202 122.131 -2.929 1
1 1181 . 5 1 1 A 110 110 VAL H H 109 10.389 9.015 1.374 1
1 1182 . 5 1 1 A 110 110 VAL HA H 109 4.299 4.442 -0.143 1
1 1190 . 5 1 1 A 110 110 VAL CA C 109 62.758 62.915 -0.157 1
1 1191 . 5 1 1 A 110 110 VAL CB C 109 33.099 32.203 0.896 1
1 1194 . 5 1 1 A 110 110 VAL N N 109 125.234 124.009 1.225 1
1 1195 . 5 1 1 A 111 111 LEU H H 110 8.568 8.564 0.004 1
1 1196 . 5 1 1 A 111 111 LEU HA H 110 4.872 4.857 0.015 1
1 1206 . 5 1 1 A 111 111 LEU CA C 110 54.077 55.587 -1.510 1
1 1207 . 5 1 1 A 111 111 LEU CB C 110 43.562 42.717 0.845 1
1 1211 . 5 1 1 A 111 111 LEU N N 110 130.826 130.632 0.194 1
1 1212 . 5 1 1 A 112 112 HIS H H 111 9.070 9.133 -0.063 1
1 1213 . 5 1 1 A 112 112 HIS HA H 111 4.917 5.065 -0.148 1
1 1217 . 5 1 1 A 112 112 HIS CA C 111 54.229 54.284 -0.055 1
1 1218 . 5 1 1 A 112 112 HIS CB C 111 31.745 33.323 -1.578 1
1 1219 . 5 1 1 A 112 112 HIS N N 111 124.953 126.385 -1.432 1
1 1220 . 5 1 1 A 113 113 ASN H H 112 9.018 8.781 0.237 1
1 1221 . 5 1 1 A 113 113 ASN HA H 112 4.912 4.738 0.174 1
1 1224 . 5 1 1 A 113 113 ASN CA C 112 54.151 53.131 1.020 1
1 1225 . 5 1 1 A 113 113 ASN CB C 112 38.868 38.660 0.208 1
1 1226 . 5 1 1 A 113 113 ASN N N 112 122.645 121.825 0.820 1
1 1227 . 5 1 1 A 114 114 MET H H 113 8.314 8.794 -0.480 1
1 1228 . 5 1 1 A 114 114 MET HA H 113 4.891 4.532 0.359 1
1 1236 . 5 1 1 A 114 114 MET CA C 113 53.171 56.958 -3.787 1
1 1237 . 5 1 1 A 114 114 MET CB C 113 32.922 33.649 -0.727 1
1 1240 . 5 1 1 A 114 114 MET N N 113 123.103 125.298 -2.195 1
1 1241 . 5 1 1 A 115 115 HIS H H 114 7.453 8.198 -0.745 1
1 1242 . 5 1 1 A 115 115 HIS HA H 114 4.664 4.813 -0.149 1
1 1246 . 5 1 1 A 115 115 HIS CA C 114 55.572 54.502 1.070 1
1 1247 . 5 1 1 A 115 115 HIS CB C 114 30.856 31.512 -0.656 1
1 1248 . 5 1 1 A 115 115 HIS N N 114 115.450 118.103 -2.653 1
1 1250 . 5 1 1 A 116 116 SER CB C 115 61.131 62.732 -1.601 1
1 1251 . 5 1 1 A 117 117 ASN H H 116 8.912 7.998 0.914 1
1 1252 . 5 1 1 A 117 117 ASN HA H 116 4.556 4.855 -0.299 1
1 1255 . 5 1 1 A 117 117 ASN CA C 116 54.106 53.720 0.386 1
1 1256 . 5 1 1 A 117 117 ASN CB C 116 37.615 40.657 -3.042 1
1 1257 . 5 1 1 A 117 117 ASN N N 116 113.703 115.561 -1.858 1
1 1258 . 5 1 1 A 118 118 CYS H H 117 7.532 7.803 -0.271 1
1 1259 . 5 1 1 A 118 118 CYS HA H 117 5.316 4.937 0.379 1
1 1262 . 5 1 1 A 118 118 CYS CA C 117 58.639 59.535 -0.896 1
1 1263 . 5 1 1 A 118 118 CYS CB C 117 30.949 28.058 2.891 1
1 1264 . 5 1 1 A 118 118 CYS N N 117 115.213 119.242 -4.029 1
1 1265 . 5 1 1 A 119 119 VAL H H 118 9.617 8.855 0.762 1
1 1266 . 5 1 1 A 119 119 VAL HA H 118 5.397 5.029 0.368 1
1 1274 . 5 1 1 A 119 119 VAL CA C 118 58.788 59.010 -0.222 1
1 1275 . 5 1 1 A 119 119 VAL CB C 118 35.745 35.816 -0.071 1
1 1278 . 5 1 1 A 119 119 VAL N N 118 116.144 118.649 -2.505 1
1 1279 . 5 1 1 A 120 120 SER H H 119 8.578 8.947 -0.369 1
1 1280 . 5 1 1 A 120 120 SER HA H 119 5.089 5.384 -0.295 1
1 1283 . 5 1 1 A 120 120 SER CA C 119 57.311 55.848 1.463 1
1 1284 . 5 1 1 A 120 120 SER CB C 119 67.751 66.171 1.580 1
1 1285 . 5 1 1 A 120 120 SER N N 119 113.930 118.336 -4.406 1
1 1286 . 5 1 1 A 121 121 PHE H H 120 10.612 9.238 1.374 1
1 1287 . 5 1 1 A 121 121 PHE HA H 120 5.365 5.246 0.119 1
1 1294 . 5 1 1 A 121 121 PHE CA C 120 55.797 56.287 -0.490 1
1 1295 . 5 1 1 A 121 121 PHE CB C 120 41.542 40.449 1.093 1
1 1300 . 5 1 1 A 121 121 PHE N N 120 120.777 124.115 -3.338 1
1 1301 . 5 1 1 A 122 122 GLU H H 121 9.509 9.247 0.262 1
1 1302 . 5 1 1 A 122 122 GLU HA H 121 4.537 4.660 -0.123 1
1 1307 . 5 1 1 A 122 122 GLU CA C 121 53.200 56.281 -3.081 1
1 1308 . 5 1 1 A 122 122 GLU CB C 121 32.943 30.843 2.100 1
1 1310 . 5 1 1 A 122 122 GLU N N 121 126.070 125.952 0.118 1
1 1311 . 5 1 1 A 123 123 CYS H H 122 9.405 8.980 0.425 1
1 1312 . 5 1 1 A 123 123 CYS HA H 122 4.065 4.829 -0.764 1
1 1315 . 5 1 1 A 123 123 CYS CA C 122 61.504 58.552 2.952 1
1 1316 . 5 1 1 A 123 123 CYS CB C 122 27.626 27.684 -0.058 1
1 1317 . 5 1 1 A 123 123 CYS N N 122 127.122 125.418 1.704 1
1 1318 . 5 1 1 A 124 124 LYS H H 123 7.533 8.758 -1.225 1
1 1319 . 5 1 1 A 124 124 LYS HA H 123 3.831 4.007 -0.176 1
1 1326 . 5 1 1 A 124 124 LYS CA C 123 59.245 59.049 0.196 1
1 1327 . 5 1 1 A 124 124 LYS CB C 123 32.946 32.439 0.507 1
1 1331 . 5 1 1 A 124 124 LYS N N 123 125.643 126.849 -1.206 1
1 1332 . 5 1 1 A 125 125 THR H H 124 8.020 7.981 0.039 1
1 1333 . 5 1 1 A 125 125 THR HA H 124 4.216 4.239 -0.023 1
1 1338 . 5 1 1 A 125 125 THR CA C 124 61.424 64.241 -2.817 1
1 1339 . 5 1 1 A 125 125 THR CB C 124 68.505 69.580 -1.075 1
1 1341 . 5 1 1 A 125 125 THR N N 124 102.851 113.976 -11.125 1
1 1342 . 5 1 1 A 126 126 ASP H H 125 6.456 7.993 -1.537 1
1 1343 . 5 1 1 A 126 126 ASP HA H 125 5.125 5.054 0.071 1
1 1346 . 5 1 1 A 126 126 ASP CA C 125 51.060 51.271 -0.211 1
1 1347 . 5 1 1 A 126 126 ASP CB C 125 42.308 41.436 0.872 1
1 1348 . 5 1 1 A 126 126 ASP N N 125 119.891 120.258 -0.367 1
1 1349 . 5 1 1 A 127 127 PRO HA H 126 4.366 4.253 0.113 1
1 1356 . 5 1 1 A 127 127 PRO CA C 126 63.377 63.728 -0.351 1
1 1357 . 5 1 1 A 127 127 PRO CB C 126 31.816 31.347 0.469 1
1 1360 . 5 1 1 A 128 128 GLY H H 127 10.553 8.679 1.874 1
1 1361 . 5 1 1 A 128 128 GLY HA2 H 127 3.775 3.845 -0.070 1
1 1362 . 5 1 1 A 128 128 GLY HA3 H 127 4.318 3.863 0.455 1
1 1363 . 5 1 1 A 128 128 GLY CA C 127 44.954 45.064 -0.110 1
1 1364 . 5 1 1 A 128 128 GLY N N 127 113.361 112.708 0.653 1
1 1365 . 5 1 1 A 129 129 VAL H H 128 7.846 7.308 0.538 1
1 1366 . 5 1 1 A 129 129 VAL HA H 128 4.794 4.272 0.522 1
1 1374 . 5 1 1 A 129 129 VAL CA C 128 61.754 61.788 -0.034 1
1 1375 . 5 1 1 A 129 129 VAL CB C 128 31.449 33.327 -1.878 1
1 1378 . 5 1 1 A 129 129 VAL N N 128 121.005 121.512 -0.507 1
1 1379 . 5 1 1 A 130 130 PHE H H 129 9.293 9.242 0.051 1
1 1380 . 5 1 1 A 130 130 PHE HA H 129 5.819 5.297 0.522 1
1 1388 . 5 1 1 A 130 130 PHE CA C 129 55.600 56.432 -0.832 1
1 1389 . 5 1 1 A 130 130 PHE CB C 129 42.773 43.374 -0.601 1
1 1395 . 5 1 1 A 130 130 PHE N N 129 126.384 125.718 0.666 1
1 1396 . 5 1 1 A 131 131 ILE H H 130 8.555 8.687 -0.132 1
1 1397 . 5 1 1 A 131 131 ILE HA H 130 4.375 4.465 -0.090 1
1 1407 . 5 1 1 A 131 131 ILE CA C 130 63.278 61.835 1.443 1
1 1408 . 5 1 1 A 131 131 ILE CB C 130 37.850 38.097 -0.247 1
1 1412 . 5 1 1 A 131 131 ILE N N 130 118.433 124.646 -6.213 1
1 1413 . 5 1 1 A 132 132 GLY H H 131 9.225 8.488 0.737 1
1 1414 . 5 1 1 A 132 132 GLY HA2 H 131 3.693 4.200 -0.507 1
1 1415 . 5 1 1 A 132 132 GLY HA3 H 131 5.248 4.215 1.033 1
1 1416 . 5 1 1 A 132 132 GLY CA C 131 45.218 45.591 -0.373 1
1 1417 . 5 1 1 A 132 132 GLY N N 131 113.442 113.652 -0.210 1
1 1418 . 5 1 1 A 133 133 VAL H H 132 8.177 8.771 -0.594 1
1 1419 . 5 1 1 A 133 133 VAL HA H 132 4.710 4.399 0.311 1
1 1427 . 5 1 1 A 133 133 VAL CA C 132 61.537 63.056 -1.519 1
1 1428 . 5 1 1 A 133 133 VAL CB C 132 33.281 31.171 2.110 1
1 1431 . 5 1 1 A 133 133 VAL N N 132 118.438 121.189 -2.751 1
1 1432 . 5 1 1 A 134 134 LYS H H 133 8.752 8.537 0.215 1
1 1433 . 5 1 1 A 134 134 LYS HA H 133 4.472 3.791 0.681 1
1 1440 . 5 1 1 A 134 134 LYS CA C 133 55.257 58.989 -3.732 1
1 1441 . 5 1 1 A 134 134 LYS CB C 133 35.500 32.578 2.922 1
1 1445 . 5 1 1 A 134 134 LYS N N 133 127.706 130.310 -2.604 1
1 1446 . 5 1 1 A 135 135 ASP H H 134 9.321 8.007 1.314 1
1 1447 . 5 1 1 A 135 135 ASP HA H 134 4.230 4.604 -0.374 1
1 1450 . 5 1 1 A 135 135 ASP CA C 134 55.965 55.948 0.017 1
1 1451 . 5 1 1 A 135 135 ASP CB C 134 39.212 42.271 -3.059 1
1 1452 . 5 1 1 A 135 135 ASP N N 134 126.815 118.334 8.481 1
1 1453 . 5 1 1 A 136 136 ASN H H 135 8.603 8.107 0.496 1
1 1454 . 5 1 1 A 136 136 ASN HA H 135 4.380 5.008 -0.628 1
1 1457 . 5 1 1 A 136 136 ASN CA C 135 54.117 52.458 1.659 1
1 1458 . 5 1 1 A 136 136 ASN CB C 135 37.384 40.386 -3.002 1
1 1459 . 5 1 1 A 136 136 ASN N N 135 113.023 115.363 -2.340 1
1 1460 . 5 1 1 A 137 137 HIS H H 136 8.112 7.544 0.568 1
1 1461 . 5 1 1 A 137 137 HIS HA H 136 5.116 5.236 -0.120 1
1 1465 . 5 1 1 A 137 137 HIS CA C 136 54.190 53.408 0.782 1
1 1466 . 5 1 1 A 137 137 HIS CB C 136 31.681 32.360 -0.679 1
1 1467 . 5 1 1 A 137 137 HIS N N 136 115.753 116.453 -0.700 1
1 1468 . 5 1 1 A 138 138 LEU H H 137 8.553 8.489 0.064 1
1 1469 . 5 1 1 A 138 138 LEU HA H 137 5.251 4.392 0.859 1
1 1479 . 5 1 1 A 138 138 LEU CA C 137 54.147 55.178 -1.031 1
1 1480 . 5 1 1 A 138 138 LEU CB C 137 42.849 42.211 0.638 1
1 1484 . 5 1 1 A 138 138 LEU N N 137 118.446 121.305 -2.859 1
1 1485 . 5 1 1 A 139 139 ALA H H 138 9.357 8.961 0.396 1
1 1486 . 5 1 1 A 139 139 ALA HA H 138 4.760 4.931 -0.171 1
1 1490 . 5 1 1 A 139 139 ALA CA C 138 51.091 50.894 0.197 1
1 1491 . 5 1 1 A 139 139 ALA CB C 138 22.924 23.765 -0.841 1
1 1492 . 5 1 1 A 139 139 ALA N N 138 126.689 126.049 0.640 1
1 1493 . 5 1 1 A 140 140 LEU H H 139 7.287 8.722 -1.435 1
1 1494 . 5 1 1 A 140 140 LEU HA H 139 5.278 4.675 0.603 1
1 1504 . 5 1 1 A 140 140 LEU CA C 139 53.026 54.342 -1.316 1
1 1505 . 5 1 1 A 140 140 LEU CB C 139 42.025 41.460 0.565 1
1 1509 . 5 1 1 A 140 140 LEU N N 139 116.219 119.727 -3.508 1
1 1510 . 5 1 1 A 141 141 ILE H H 140 9.676 9.253 0.423 1
1 1511 . 5 1 1 A 141 141 ILE HA H 140 4.321 4.784 -0.463 1
1 1521 . 5 1 1 A 141 141 ILE CA C 140 59.331 60.210 -0.879 1
1 1522 . 5 1 1 A 141 141 ILE CB C 140 40.745 39.324 1.421 1
1 1526 . 5 1 1 A 141 141 ILE N N 140 124.052 125.715 -1.663 1
1 1527 . 5 1 1 A 142 142 LYS H H 141 8.665 8.901 -0.236 1
1 1528 . 5 1 1 A 142 142 LYS HA H 141 5.053 4.827 0.226 1
1 1534 . 5 1 1 A 142 142 LYS CA C 141 55.586 55.906 -0.320 1
1 1535 . 5 1 1 A 142 142 LYS CB C 141 32.709 33.367 -0.658 1
1 1539 . 5 1 1 A 142 142 LYS N N 141 128.856 128.658 0.198 1
1 1540 . 5 1 1 A 143 143 VAL H H 142 8.757 8.588 0.169 1
1 1541 . 5 1 1 A 143 143 VAL HA H 142 4.223 4.647 -0.424 1
1 1549 . 5 1 1 A 143 143 VAL CA C 142 62.032 61.045 0.987 1
1 1550 . 5 1 1 A 143 143 VAL CB C 142 33.008 35.303 -2.295 1
1 1553 . 5 1 1 A 143 143 VAL N N 142 127.220 126.266 0.954 1
1 1554 . 5 1 1 A 144 144 ASP H H 143 8.595 8.802 -0.207 1
1 1555 . 5 1 1 A 144 144 ASP HA H 143 4.698 4.938 -0.240 1
1 1557 . 5 1 1 A 144 144 ASP CB C 143 41.517 41.774 -0.257 1
1 1558 . 5 1 1 A 144 144 ASP N N 143 125.250 128.898 -3.648 1
1 1559 . 5 1 1 A 145 145 SER H H 144 8.296 8.810 -0.514 1
1 1560 . 5 1 1 A 145 145 SER HA H 144 4.455 4.248 0.207 1
1 1563 . 5 1 1 A 145 145 SER CA C 144 58.814 59.535 -0.721 1
1 1564 . 5 1 1 A 145 145 SER CB C 144 63.202 63.017 0.185 1
1 1565 . 5 1 1 A 145 145 SER N N 144 116.695 120.472 -3.777 1
1 1566 . 5 1 1 A 146 146 SER H H 145 8.512 8.889 -0.377 1
1 1567 . 5 1 1 A 146 146 SER HA H 145 4.393 4.223 0.170 1
1 1570 . 5 1 1 A 146 146 SER CA C 145 59.286 59.512 -0.226 1
1 1571 . 5 1 1 A 146 146 SER CB C 145 63.396 63.026 0.370 1
1 1572 . 5 1 1 A 146 146 SER N N 145 117.509 119.717 -2.208 1
1 1573 . 5 1 1 A 147 147 GLU H H 146 8.145 7.588 0.557 1
1 1574 . 5 1 1 A 147 147 GLU HA H 146 4.351 4.623 -0.272 1
1 1578 . 5 1 1 A 147 147 GLU CA C 146 56.389 57.549 -1.160 1
1 1579 . 5 1 1 A 147 147 GLU N N 146 121.023 120.036 0.987 1
1 1580 . 5 1 1 A 148 148 ASN H H 147 8.145 7.801 0.344 1
1 1581 . 5 1 1 A 148 148 ASN HA H 147 4.584 5.015 -0.431 1
1 1584 . 5 1 1 A 148 148 ASN CA C 147 53.643 52.230 1.413 1
1 1585 . 5 1 1 A 148 148 ASN CB C 147 38.423 39.595 -1.172 1
1 1586 . 5 1 1 A 148 148 ASN N N 147 118.043 115.703 2.340 1
1 1587 . 5 1 1 A 149 149 LEU H H 148 7.953 7.928 0.025 1
1 1588 . 5 1 1 A 149 149 LEU HA H 148 4.294 4.012 0.282 1
1 1598 . 5 1 1 A 149 149 LEU CA C 148 55.249 56.911 -1.662 1
1 1599 . 5 1 1 A 149 149 LEU CB C 148 42.000 41.886 0.114 1
1 1603 . 5 1 1 A 149 149 LEU N N 148 120.366 120.104 0.262 1
1 1604 . 5 1 1 A 150 150 CYS H H 149 8.141 7.562 0.579 1
1 1605 . 5 1 1 A 150 150 CYS HA H 149 4.517 4.430 0.087 1
1 1608 . 5 1 1 A 150 150 CYS CA C 149 57.817 58.118 -0.301 1
1 1609 . 5 1 1 A 150 150 CYS CB C 149 27.529 26.596 0.933 1
1 1610 . 5 1 1 A 150 150 CYS N N 149 118.879 117.203 1.676 1
1 1611 . 5 1 1 A 151 151 THR H H 150 7.892 7.705 0.187 1
1 1612 . 5 1 1 A 151 151 THR HA H 150 4.191 4.708 -0.517 1
1 1617 . 5 1 1 A 151 151 THR CA C 150 61.680 61.630 0.050 1
1 1618 . 5 1 1 A 151 151 THR CB C 150 68.930 70.915 -1.985 1
1 1620 . 5 1 1 A 151 151 THR N N 150 117.354 120.827 -3.473 1
1 1621 . 5 1 1 A 152 152 GLU H H 151 8.547 8.920 -0.373 1
1 1622 . 5 1 1 A 152 152 GLU HA H 151 3.600 3.841 -0.241 1
1 1627 . 5 1 1 A 152 152 GLU CA C 151 59.126 58.504 0.622 1
1 1628 . 5 1 1 A 152 152 GLU CB C 151 28.575 28.873 -0.298 1
1 1630 . 5 1 1 A 152 152 GLU N N 151 122.526 125.621 -3.095 1
1 1631 . 5 1 1 A 153 153 ASN H H 152 8.140 8.027 0.113 1
1 1632 . 5 1 1 A 153 153 ASN HA H 152 4.525 4.404 0.121 1
1 1635 . 5 1 1 A 153 153 ASN CA C 152 54.838 56.157 -1.319 1
1 1636 . 5 1 1 A 153 153 ASN CB C 152 37.230 38.550 -1.320 1
1 1637 . 5 1 1 A 153 153 ASN N N 152 113.916 117.972 -4.056 1
1 1638 . 5 1 1 A 154 154 ILE H H 153 6.885 7.029 -0.144 1
1 1639 . 5 1 1 A 154 154 ILE HA H 153 5.150 4.111 1.039 1
1 1649 . 5 1 1 A 154 154 ILE CA C 153 60.523 61.026 -0.503 1
1 1650 . 5 1 1 A 154 154 ILE CB C 153 38.399 37.227 1.172 1
1 1654 . 5 1 1 A 154 154 ILE N N 153 108.606 112.458 -3.852 1
1 1655 . 5 1 1 A 155 155 LEU H H 154 7.162 7.145 0.017 1
1 1656 . 5 1 1 A 155 155 LEU HA H 154 4.654 4.661 -0.007 1
1 1666 . 5 1 1 A 155 155 LEU CA C 154 54.179 52.813 1.366 1
1 1667 . 5 1 1 A 155 155 LEU CB C 154 43.178 42.955 0.223 1
1 1671 . 5 1 1 A 155 155 LEU N N 154 123.152 123.806 -0.654 1
1 1672 . 5 1 1 A 156 156 PHE H H 155 9.292 9.127 0.165 1
1 1673 . 5 1 1 A 156 156 PHE HA H 155 5.175 5.334 -0.159 1
1 1681 . 5 1 1 A 156 156 PHE CA C 155 56.409 56.469 -0.060 1
1 1682 . 5 1 1 A 156 156 PHE CB C 155 43.001 42.148 0.853 1
1 1688 . 5 1 1 A 156 156 PHE N N 155 119.900 123.826 -3.926 1
1 1689 . 5 1 1 A 157 157 LYS H H 156 9.195 8.903 0.292 1
1 1690 . 5 1 1 A 157 157 LYS HA H 156 4.966 5.167 -0.201 1
1 1698 . 5 1 1 A 157 157 LYS CA C 156 55.200 54.791 0.409 1
1 1699 . 5 1 1 A 157 157 LYS CB C 156 35.002 35.936 -0.934 1
1 1703 . 5 1 1 A 157 157 LYS N N 156 118.435 119.740 -1.305 1
1 1704 . 5 1 1 A 158 158 LEU H H 157 8.769 9.090 -0.321 1
1 1705 . 5 1 1 A 158 158 LEU HA H 157 5.356 5.357 -0.001 1
1 1715 . 5 1 1 A 158 158 LEU CA C 157 53.173 53.326 -0.153 1
1 1716 . 5 1 1 A 158 158 LEU CB C 157 44.220 45.421 -1.201 1
1 1720 . 5 1 1 A 158 158 LEU N N 157 122.607 124.365 -1.758 1
1 1721 . 5 1 1 A 159 159 SER H H 158 8.462 8.708 -0.246 1
1 1722 . 5 1 1 A 159 159 SER HA H 158 4.854 4.997 -0.143 1
1 1724 . 5 1 1 A 159 159 SER CA C 158 57.305 56.961 0.344 1
1 1725 . 5 1 1 A 159 159 SER CB C 158 64.330 65.614 -1.284 1
1 1726 . 5 1 1 A 159 159 SER N N 158 116.051 115.790 0.261 1
1 1727 . 5 1 1 A 160 160 GLU H H 159 9.008 8.793 0.215 1
1 1728 . 5 1 1 A 160 160 GLU HA H 159 4.606 4.595 0.011 1
1 1732 . 5 1 1 A 160 160 GLU CA C 159 56.956 56.068 0.888 1
1 1733 . 5 1 1 A 160 160 GLU CB C 159 30.452 28.593 1.859 1
1 1735 . 5 1 1 A 160 160 GLU N N 159 124.532 128.587 -4.055 1
1 1 . 6 1 1 A 4 4 ILE H H 3 8.198 8.051 0.147 1
1 2 . 6 1 1 A 4 4 ILE HA H 3 4.246 4.390 -0.144 1
1 12 . 6 1 1 A 4 4 ILE CA C 3 61.002 61.712 -0.710 1
1 13 . 6 1 1 A 4 4 ILE CB C 3 38.400 40.544 -2.144 1
1 17 . 6 1 1 A 4 4 ILE N N 3 121.904 119.888 2.016 1
1 18 . 6 1 1 A 5 5 THR H H 4 8.045 7.559 0.486 1
1 19 . 6 1 1 A 5 5 THR HA H 4 4.328 4.230 0.098 1
1 24 . 6 1 1 A 5 5 THR CA C 4 61.754 62.452 -0.698 1
1 25 . 6 1 1 A 5 5 THR CB C 4 69.755 69.345 0.410 1
1 27 . 6 1 1 A 5 5 THR N N 4 117.078 112.634 4.444 1
1 28 . 6 1 1 A 6 6 GLY H H 5 8.294 8.859 -0.565 1
1 29 . 6 1 1 A 6 6 GLY HA2 H 5 3.978 3.942 0.036 1
1 30 . 6 1 1 A 6 6 GLY HA3 H 5 4.040 3.954 0.086 1
1 31 . 6 1 1 A 6 6 GLY CA C 5 45.204 44.996 0.208 1
1 32 . 6 1 1 A 6 6 GLY N N 5 110.823 113.323 -2.500 1
1 33 . 6 1 1 A 7 7 ILE H H 6 7.850 7.690 0.160 1
1 34 . 6 1 1 A 7 7 ILE HA H 6 4.507 4.754 -0.247 1
1 44 . 6 1 1 A 7 7 ILE CA C 6 61.058 59.070 1.988 1
1 45 . 6 1 1 A 7 7 ILE CB C 6 39.405 40.604 -1.199 1
1 49 . 6 1 1 A 7 7 ILE N N 6 117.894 117.216 0.678 1
1 50 . 6 1 1 A 8 8 SER H H 7 8.484 8.647 -0.163 1
1 51 . 6 1 1 A 8 8 SER HA H 7 5.138 4.898 0.240 1
1 54 . 6 1 1 A 8 8 SER CA C 7 55.586 55.621 -0.035 1
1 55 . 6 1 1 A 8 8 SER CB C 7 63.867 65.249 -1.382 1
1 56 . 6 1 1 A 8 8 SER N N 7 119.581 118.507 1.074 1
1 57 . 6 1 1 A 9 9 PRO HA H 8 4.070 4.265 -0.195 1
1 64 . 6 1 1 A 9 9 PRO CA C 8 62.783 62.495 0.288 1
1 65 . 6 1 1 A 9 9 PRO CB C 8 32.390 31.881 0.509 1
1 68 . 6 1 1 A 10 10 ILE H H 9 8.916 8.728 0.188 1
1 69 . 6 1 1 A 10 10 ILE HA H 9 4.231 4.102 0.129 1
1 79 . 6 1 1 A 10 10 ILE CA C 9 62.297 63.120 -0.823 1
1 80 . 6 1 1 A 10 10 ILE CB C 9 39.145 38.828 0.317 1
1 84 . 6 1 1 A 10 10 ILE N N 9 119.667 118.912 0.755 1
1 85 . 6 1 1 A 11 11 THR H H 10 7.263 7.777 -0.514 1
1 86 . 6 1 1 A 11 11 THR HA H 10 4.577 4.765 -0.188 1
1 91 . 6 1 1 A 11 11 THR CA C 10 60.889 60.297 0.592 1
1 92 . 6 1 1 A 11 11 THR CB C 10 69.698 71.434 -1.736 1
1 94 . 6 1 1 A 11 11 THR N N 10 112.847 112.590 0.257 1
1 95 . 6 1 1 A 12 12 GLU H H 11 8.157 8.839 -0.682 1
1 96 . 6 1 1 A 12 12 GLU HA H 11 5.689 5.410 0.279 1
1 100 . 6 1 1 A 12 12 GLU CA C 11 54.700 55.104 -0.404 1
1 101 . 6 1 1 A 12 12 GLU CB C 11 33.384 33.092 0.292 1
1 103 . 6 1 1 A 12 12 GLU N N 11 122.192 125.367 -3.175 1
1 104 . 6 1 1 A 13 13 TYR H H 12 8.917 8.786 0.131 1
1 105 . 6 1 1 A 13 13 TYR HA H 12 4.919 5.090 -0.171 1
1 112 . 6 1 1 A 13 13 TYR CA C 12 56.453 56.475 -0.022 1
1 113 . 6 1 1 A 13 13 TYR CB C 12 40.158 40.754 -0.596 1
1 118 . 6 1 1 A 13 13 TYR N N 12 119.678 120.153 -0.475 1
1 119 . 6 1 1 A 14 14 LEU H H 13 8.420 8.454 -0.034 1
1 120 . 6 1 1 A 14 14 LEU HA H 13 5.201 4.853 0.348 1
1 130 . 6 1 1 A 14 14 LEU CA C 13 53.778 54.715 -0.937 1
1 131 . 6 1 1 A 14 14 LEU CB C 13 43.570 42.596 0.974 1
1 135 . 6 1 1 A 14 14 LEU N N 13 121.655 122.068 -0.413 1
1 136 . 6 1 1 A 15 15 ALA H H 14 9.227 8.875 0.352 1
1 137 . 6 1 1 A 15 15 ALA HA H 14 4.979 5.208 -0.229 1
1 141 . 6 1 1 A 15 15 ALA CA C 14 50.832 51.671 -0.839 1
1 142 . 6 1 1 A 15 15 ALA CB C 14 23.479 23.250 0.229 1
1 143 . 6 1 1 A 15 15 ALA N N 14 124.927 124.073 0.854 1
1 144 . 6 1 1 A 16 16 SER H H 15 9.006 8.829 0.177 1
1 145 . 6 1 1 A 16 16 SER HA H 15 5.044 4.940 0.104 1
1 148 . 6 1 1 A 16 16 SER CA C 15 57.379 56.751 0.628 1
1 149 . 6 1 1 A 16 16 SER CB C 15 64.811 64.187 0.624 1
1 150 . 6 1 1 A 16 16 SER N N 15 115.217 117.459 -2.242 1
1 151 . 6 1 1 A 17 17 LEU H H 16 9.299 8.887 0.412 1
1 152 . 6 1 1 A 17 17 LEU HA H 16 5.350 4.825 0.525 1
1 162 . 6 1 1 A 17 17 LEU CA C 16 54.150 55.447 -1.297 1
1 163 . 6 1 1 A 17 17 LEU CB C 16 45.483 42.516 2.967 1
1 167 . 6 1 1 A 17 17 LEU N N 16 125.526 128.177 -2.651 1
1 168 . 6 1 1 A 18 18 SER H H 17 9.032 8.979 0.053 1
1 169 . 6 1 1 A 18 18 SER HA H 17 5.707 5.273 0.434 1
1 172 . 6 1 1 A 18 18 SER CA C 17 56.078 57.437 -1.359 1
1 173 . 6 1 1 A 18 18 SER CB C 17 66.504 66.064 0.440 1
1 174 . 6 1 1 A 18 18 SER N N 17 118.219 120.697 -2.478 1
1 175 . 6 1 1 A 19 19 THR H H 18 9.122 8.715 0.407 1
1 176 . 6 1 1 A 19 19 THR HA H 18 4.651 4.202 0.449 1
1 182 . 6 1 1 A 19 19 THR CA C 18 60.871 61.214 -0.343 1
1 183 . 6 1 1 A 19 19 THR CB C 18 71.214 70.932 0.282 1
1 185 . 6 1 1 A 19 19 THR N N 18 110.542 117.479 -6.937 1
1 186 . 6 1 1 A 20 20 TYR H H 19 7.890 8.850 -0.960 1
1 187 . 6 1 1 A 20 20 TYR HA H 19 3.895 4.235 -0.340 1
1 194 . 6 1 1 A 20 20 TYR CA C 19 61.228 59.777 1.451 1
1 195 . 6 1 1 A 20 20 TYR CB C 19 39.123 38.835 0.288 1
1 200 . 6 1 1 A 20 20 TYR N N 19 119.460 123.142 -3.682 1
1 201 . 6 1 1 A 21 21 ASN H H 20 7.312 7.470 -0.158 1
1 202 . 6 1 1 A 21 21 ASN HA H 20 4.663 4.821 -0.158 1
1 205 . 6 1 1 A 21 21 ASN CA C 20 52.035 51.870 0.165 1
1 206 . 6 1 1 A 21 21 ASN CB C 20 37.228 38.387 -1.159 1
1 207 . 6 1 1 A 21 21 ASN N N 20 112.235 118.199 -5.964 1
1 208 . 6 1 1 A 22 22 ASP H H 21 7.919 7.980 -0.061 1
1 209 . 6 1 1 A 22 22 ASP HA H 21 4.210 4.140 0.070 1
1 212 . 6 1 1 A 22 22 ASP CA C 21 56.289 55.359 0.930 1
1 213 . 6 1 1 A 22 22 ASP CB C 21 38.389 39.293 -0.904 1
1 214 . 6 1 1 A 22 22 ASP N N 21 113.136 116.020 -2.884 1
1 215 . 6 1 1 A 23 23 GLN H H 22 7.621 7.262 0.359 1
1 216 . 6 1 1 A 23 23 GLN HA H 22 4.576 4.710 -0.134 1
1 221 . 6 1 1 A 23 23 GLN CA C 22 55.474 54.293 1.181 1
1 222 . 6 1 1 A 23 23 GLN CB C 22 29.609 30.569 -0.960 1
1 224 . 6 1 1 A 23 23 GLN N N 22 115.930 117.903 -1.973 1
1 225 . 6 1 1 A 24 24 SER H H 23 8.847 8.712 0.135 1
1 226 . 6 1 1 A 24 24 SER HA H 23 4.699 5.087 -0.388 1
1 229 . 6 1 1 A 24 24 SER CA C 23 59.518 57.626 1.892 1
1 230 . 6 1 1 A 24 24 SER CB C 23 64.710 65.317 -0.607 1
1 231 . 6 1 1 A 24 24 SER N N 23 118.760 118.597 0.163 1
1 232 . 6 1 1 A 25 25 ILE H H 24 7.851 8.661 -0.810 1
1 233 . 6 1 1 A 25 25 ILE HA H 24 4.685 4.588 0.097 1
1 243 . 6 1 1 A 25 25 ILE CA C 24 59.480 60.778 -1.298 1
1 244 . 6 1 1 A 25 25 ILE CB C 24 36.204 38.668 -2.464 1
1 248 . 6 1 1 A 25 25 ILE N N 24 122.951 123.842 -0.891 1
1 249 . 6 1 1 A 26 26 THR H H 25 8.865 8.525 0.340 1
1 250 . 6 1 1 A 26 26 THR HA H 25 4.615 4.861 -0.246 1
1 255 . 6 1 1 A 26 26 THR CA C 25 59.720 60.730 -1.010 1
1 256 . 6 1 1 A 26 26 THR CB C 25 70.755 70.742 0.013 1
1 258 . 6 1 1 A 26 26 THR N N 25 123.404 122.614 0.790 1
1 259 . 6 1 1 A 27 27 PHE H H 26 8.614 9.203 -0.589 1
1 260 . 6 1 1 A 27 27 PHE HA H 26 4.986 4.923 0.063 1
1 268 . 6 1 1 A 27 27 PHE CA C 26 55.673 56.496 -0.823 1
1 269 . 6 1 1 A 27 27 PHE CB C 26 40.422 39.551 0.871 1
1 275 . 6 1 1 A 27 27 PHE N N 26 120.710 125.643 -4.933 1
1 276 . 6 1 1 A 28 28 ALA H H 27 8.989 8.765 0.224 1
1 277 . 6 1 1 A 28 28 ALA HA H 27 4.719 4.943 -0.224 1
1 281 . 6 1 1 A 28 28 ALA CA C 27 51.105 50.485 0.620 1
1 282 . 6 1 1 A 28 28 ALA CB C 27 20.169 20.565 -0.396 1
1 283 . 6 1 1 A 28 28 ALA N N 27 127.571 127.671 -0.100 1
1 284 . 6 1 1 A 29 29 LEU H H 28 8.302 8.821 -0.519 1
1 285 . 6 1 1 A 29 29 LEU HA H 28 4.388 4.864 -0.476 1
1 295 . 6 1 1 A 29 29 LEU CA C 28 54.689 53.492 1.197 1
1 296 . 6 1 1 A 29 29 LEU CB C 28 42.072 42.869 -0.797 1
1 300 . 6 1 1 A 29 29 LEU N N 28 123.967 124.158 -0.191 1
1 301 . 6 1 1 A 30 30 GLU H H 29 8.426 8.624 -0.198 1
1 302 . 6 1 1 A 30 30 GLU HA H 29 4.383 4.517 -0.134 1
1 306 . 6 1 1 A 30 30 GLU CA C 29 55.674 55.312 0.362 1
1 307 . 6 1 1 A 30 30 GLU CB C 29 30.616 31.016 -0.400 1
1 309 . 6 1 1 A 30 30 GLU N N 29 123.800 123.496 0.304 1
1 310 . 6 1 1 A 31 31 ASP H H 30 8.504 8.701 -0.197 1
1 311 . 6 1 1 A 31 31 ASP HA H 30 4.359 4.236 0.123 1
1 314 . 6 1 1 A 31 31 ASP CA C 30 55.650 56.624 -0.974 1
1 315 . 6 1 1 A 31 31 ASP CB C 30 39.912 40.566 -0.654 1
1 316 . 6 1 1 A 31 31 ASP N N 30 121.263 121.130 0.133 1
1 317 . 6 1 1 A 32 32 GLU H H 31 8.235 7.930 0.305 1
1 318 . 6 1 1 A 32 32 GLU HA H 31 4.039 4.343 -0.304 1
1 323 . 6 1 1 A 32 32 GLU CA C 31 56.572 55.950 0.622 1
1 324 . 6 1 1 A 32 32 GLU CB C 31 29.099 31.138 -2.039 1
1 326 . 6 1 1 A 32 32 GLU N N 31 115.284 113.169 2.115 1
1 327 . 6 1 1 A 33 33 SER H H 32 7.854 7.336 0.518 1
1 328 . 6 1 1 A 33 33 SER HA H 32 4.556 4.729 -0.173 1
1 330 . 6 1 1 A 33 33 SER CA C 32 57.848 56.949 0.899 1
1 331 . 6 1 1 A 33 33 SER CB C 32 64.080 65.742 -1.662 1
1 332 . 6 1 1 A 33 33 SER N N 32 114.403 115.323 -0.920 1
1 333 . 6 1 1 A 34 34 TYR H H 33 8.117 9.014 -0.897 1
1 334 . 6 1 1 A 34 34 TYR HA H 33 4.995 4.989 0.006 1
1 341 . 6 1 1 A 34 34 TYR CA C 33 56.928 56.593 0.335 1
1 342 . 6 1 1 A 34 34 TYR CB C 33 39.116 39.818 -0.702 1
1 347 . 6 1 1 A 34 34 TYR N N 33 119.987 120.305 -0.318 1
1 348 . 6 1 1 A 35 35 GLU H H 34 8.466 8.696 -0.230 1
1 349 . 6 1 1 A 35 35 GLU HA H 34 4.574 5.052 -0.478 1
1 352 . 6 1 1 A 35 35 GLU CA C 34 55.417 55.693 -0.276 1
1 353 . 6 1 1 A 35 35 GLU CB C 34 33.071 31.768 1.303 1
1 355 . 6 1 1 A 35 35 GLU N N 34 120.614 124.234 -3.620 1
1 356 . 6 1 1 A 36 36 ILE H H 35 8.485 8.897 -0.412 1
1 357 . 6 1 1 A 36 36 ILE HA H 35 4.713 4.743 -0.030 1
1 367 . 6 1 1 A 36 36 ILE CA C 35 60.138 60.188 -0.050 1
1 368 . 6 1 1 A 36 36 ILE CB C 35 39.383 40.235 -0.852 1
1 372 . 6 1 1 A 36 36 ILE N N 35 121.673 124.637 -2.964 1
1 373 . 6 1 1 A 37 37 TYR H H 36 8.725 8.198 0.527 1
1 374 . 6 1 1 A 37 37 TYR HA H 36 5.148 5.487 -0.339 1
1 380 . 6 1 1 A 37 37 TYR CA C 36 55.698 55.823 -0.125 1
1 381 . 6 1 1 A 37 37 TYR CB C 36 40.866 41.961 -1.095 1
1 386 . 6 1 1 A 37 37 TYR N N 36 125.169 123.793 1.376 1
1 387 . 6 1 1 A 38 38 VAL H H 37 7.859 8.811 -0.952 1
1 388 . 6 1 1 A 38 38 VAL HA H 37 4.636 4.630 0.006 1
1 396 . 6 1 1 A 38 38 VAL CA C 37 60.937 61.382 -0.445 1
1 397 . 6 1 1 A 38 38 VAL CB C 37 32.382 32.846 -0.464 1
1 400 . 6 1 1 A 38 38 VAL N N 37 120.727 120.798 -0.071 1
1 401 . 6 1 1 A 39 39 GLU H H 38 8.885 8.960 -0.075 1
1 402 . 6 1 1 A 39 39 GLU HA H 38 4.690 4.835 -0.145 1
1 407 . 6 1 1 A 39 39 GLU CA C 38 55.174 55.739 -0.565 1
1 408 . 6 1 1 A 39 39 GLU CB C 38 33.421 31.794 1.627 1
1 410 . 6 1 1 A 39 39 GLU N N 38 124.823 127.699 -2.876 1
1 411 . 6 1 1 A 40 40 ASP H H 39 8.646 8.815 -0.169 1
1 412 . 6 1 1 A 40 40 ASP HA H 39 4.721 5.031 -0.310 1
1 415 . 6 1 1 A 40 40 ASP CA C 39 54.340 52.947 1.393 1
1 416 . 6 1 1 A 40 40 ASP CB C 39 40.839 42.149 -1.310 1
1 417 . 6 1 1 A 40 40 ASP N N 39 122.400 123.793 -1.393 1
1 418 . 6 1 1 A 41 41 LEU H H 40 8.133 9.090 -0.957 1
1 419 . 6 1 1 A 41 41 LEU HA H 40 4.430 4.782 -0.352 1
1 429 . 6 1 1 A 41 41 LEU CA C 40 54.553 53.516 1.037 1
1 430 . 6 1 1 A 41 41 LEU CB C 40 42.942 43.887 -0.945 1
1 434 . 6 1 1 A 41 41 LEU N N 40 122.394 127.533 -5.139 1
1 435 . 6 1 1 A 42 42 LYS H H 41 8.659 8.741 -0.082 1
1 436 . 6 1 1 A 42 42 LYS HA H 41 4.357 4.453 -0.096 1
1 442 . 6 1 1 A 42 42 LYS CA C 41 55.924 56.778 -0.854 1
1 443 . 6 1 1 A 42 42 LYS CB C 41 32.421 33.783 -1.362 1
1 447 . 6 1 1 A 42 42 LYS N N 41 122.920 123.142 -0.222 1
1 448 . 6 1 1 A 43 43 LYS H H 42 8.371 7.741 0.630 1
1 449 . 6 1 1 A 43 43 LYS HA H 42 4.223 4.736 -0.513 1
1 455 . 6 1 1 A 43 43 LYS CA C 42 56.924 54.407 2.517 1
1 456 . 6 1 1 A 43 43 LYS CB C 42 32.671 35.084 -2.413 1
1 460 . 6 1 1 A 43 43 LYS N N 42 121.924 117.261 4.663 1
1 461 . 6 1 1 A 44 44 ASP H H 43 8.355 8.654 -0.299 1
1 462 . 6 1 1 A 44 44 ASP HA H 43 4.556 4.852 -0.296 1
1 464 . 6 1 1 A 44 44 ASP CA C 43 54.243 53.755 0.488 1
1 465 . 6 1 1 A 44 44 ASP CB C 43 40.582 39.597 0.985 1
1 466 . 6 1 1 A 44 44 ASP N N 43 118.485 120.857 -2.372 1
1 467 . 6 1 1 A 45 45 GLU H H 44 8.011 8.440 -0.429 1
1 468 . 6 1 1 A 45 45 GLU HA H 44 4.313 4.694 -0.381 1
1 473 . 6 1 1 A 45 45 GLU CA C 44 56.362 55.063 1.299 1
1 474 . 6 1 1 A 45 45 GLU CB C 44 30.265 31.480 -1.215 1
1 476 . 6 1 1 A 45 45 GLU N N 44 119.516 122.895 -3.379 1
1 477 . 6 1 1 A 46 46 LYS H H 45 8.304 8.580 -0.276 1
1 478 . 6 1 1 A 46 46 LYS HA H 45 4.307 4.335 -0.028 1
1 485 . 6 1 1 A 46 46 LYS CA C 45 56.424 57.248 -0.824 1
1 486 . 6 1 1 A 46 46 LYS CB C 45 32.421 33.238 -0.817 1
1 490 . 6 1 1 A 46 46 LYS N N 45 121.875 123.611 -1.736 1
1 491 . 6 1 1 A 47 47 LYS H H 46 8.280 8.820 -0.540 1
1 492 . 6 1 1 A 47 47 LYS HA H 46 4.469 4.917 -0.448 1
1 498 . 6 1 1 A 47 47 LYS CA C 46 55.514 54.299 1.215 1
1 499 . 6 1 1 A 47 47 LYS CB C 46 33.264 36.207 -2.943 1
1 503 . 6 1 1 A 47 47 LYS N N 46 122.374 121.353 1.021 1
1 504 . 6 1 1 A 48 48 ASP H H 47 8.778 8.657 0.121 1
1 505 . 6 1 1 A 48 48 ASP HA H 47 4.811 4.741 0.070 1
1 507 . 6 1 1 A 48 48 ASP CA C 47 54.357 54.657 -0.300 1
1 508 . 6 1 1 A 48 48 ASP CB C 47 41.842 41.619 0.223 1
1 509 . 6 1 1 A 48 48 ASP N N 47 122.211 122.086 0.125 1
1 510 . 6 1 1 A 49 49 LYS H H 48 8.388 8.531 -0.143 1
1 511 . 6 1 1 A 49 49 LYS HA H 48 4.593 4.942 -0.349 1
1 519 . 6 1 1 A 49 49 LYS CA C 48 55.134 54.787 0.347 1
1 520 . 6 1 1 A 49 49 LYS CB C 48 34.993 34.780 0.213 1
1 524 . 6 1 1 A 49 49 LYS N N 48 120.889 124.197 -3.308 1
1 525 . 6 1 1 A 50 50 VAL H H 49 9.063 8.705 0.358 1
1 526 . 6 1 1 A 50 50 VAL HA H 49 4.097 4.596 -0.499 1
1 534 . 6 1 1 A 50 50 VAL CA C 49 59.275 60.614 -1.339 1
1 535 . 6 1 1 A 50 50 VAL CB C 49 33.958 34.809 -0.851 1
1 538 . 6 1 1 A 50 50 VAL N N 49 118.350 120.898 -2.548 1
1 539 . 6 1 1 A 51 51 LEU H H 50 8.238 8.808 -0.570 1
1 540 . 6 1 1 A 51 51 LEU HA H 50 4.561 4.538 0.023 1
1 550 . 6 1 1 A 51 51 LEU CA C 50 54.877 54.851 0.026 1
1 551 . 6 1 1 A 51 51 LEU CB C 50 42.481 42.489 -0.008 1
1 555 . 6 1 1 A 51 51 LEU N N 50 125.236 130.577 -5.341 1
1 556 . 6 1 1 A 52 52 LEU H H 51 9.286 9.099 0.187 1
1 557 . 6 1 1 A 52 52 LEU HA H 51 5.190 5.592 -0.402 1
1 567 . 6 1 1 A 52 52 LEU CA C 51 54.228 53.394 0.834 1
1 568 . 6 1 1 A 52 52 LEU CB C 51 42.961 43.556 -0.595 1
1 572 . 6 1 1 A 52 52 LEU N N 51 134.513 130.129 4.384 1
1 573 . 6 1 1 A 53 53 SER H H 52 7.992 8.893 -0.901 1
1 574 . 6 1 1 A 53 53 SER HA H 52 5.233 5.500 -0.267 1
1 577 . 6 1 1 A 53 53 SER CA C 52 56.869 56.441 0.428 1
1 578 . 6 1 1 A 53 53 SER CB C 52 62.776 65.376 -2.600 1
1 579 . 6 1 1 A 53 53 SER N N 52 117.641 120.191 -2.550 1
1 580 . 6 1 1 A 54 54 TYR H H 53 8.703 9.064 -0.361 1
1 581 . 6 1 1 A 54 54 TYR HA H 53 5.611 5.378 0.233 1
1 588 . 6 1 1 A 54 54 TYR CA C 53 56.264 57.529 -1.265 1
1 589 . 6 1 1 A 54 54 TYR CB C 53 40.455 40.407 0.048 1
1 594 . 6 1 1 A 54 54 TYR N N 53 122.503 126.835 -4.332 1
1 595 . 6 1 1 A 55 55 TYR H H 54 9.813 9.184 0.629 1
1 596 . 6 1 1 A 55 55 TYR HA H 54 4.983 5.128 -0.145 1
1 603 . 6 1 1 A 55 55 TYR CA C 54 56.465 55.930 0.535 1
1 604 . 6 1 1 A 55 55 TYR CB C 54 41.898 42.047 -0.149 1
1 609 . 6 1 1 A 55 55 TYR N N 54 120.204 120.694 -0.490 1
1 610 . 6 1 1 A 56 56 GLU H H 55 8.804 8.815 -0.011 1
1 611 . 6 1 1 A 56 56 GLU HA H 55 4.913 4.628 0.285 1
1 616 . 6 1 1 A 56 56 GLU CA C 55 55.700 55.938 -0.238 1
1 617 . 6 1 1 A 56 56 GLU CB C 55 31.684 30.529 1.155 1
1 619 . 6 1 1 A 56 56 GLU N N 55 120.472 124.452 -3.980 1
1 620 . 6 1 1 A 57 57 SER H H 56 8.580 8.744 -0.164 1
1 621 . 6 1 1 A 57 57 SER HA H 56 4.619 4.589 0.030 1
1 624 . 6 1 1 A 57 57 SER CA C 56 57.332 58.071 -0.739 1
1 625 . 6 1 1 A 57 57 SER CB C 56 64.338 63.797 0.541 1
1 626 . 6 1 1 A 57 57 SER N N 56 117.342 120.234 -2.892 1
1 627 . 6 1 1 A 58 58 GLN H H 57 8.426 8.236 0.190 1
1 628 . 6 1 1 A 58 58 GLN HA H 57 4.482 4.577 -0.095 1
1 632 . 6 1 1 A 58 58 GLN CA C 57 55.364 55.682 -0.318 1
1 633 . 6 1 1 A 58 58 GLN CB C 57 29.603 31.062 -1.459 1
1 635 . 6 1 1 A 58 58 GLN N N 57 121.444 125.537 -4.093 1
1 636 . 6 1 1 A 59 59 HIS H H 58 8.481 9.055 -0.574 1
1 637 . 6 1 1 A 59 59 HIS HA H 58 4.862 4.990 -0.128 1
1 641 . 6 1 1 A 59 59 HIS CA C 58 54.055 53.397 0.658 1
1 642 . 6 1 1 A 59 59 HIS CB C 58 30.237 30.262 -0.025 1
1 643 . 6 1 1 A 59 59 HIS N N 58 122.199 125.909 -3.710 1
1 644 . 6 1 1 A 60 60 PRO HA H 59 4.506 4.694 -0.188 1
1 650 . 6 1 1 A 60 60 PRO CA C 59 63.254 62.296 0.958 1
1 651 . 6 1 1 A 60 60 PRO CB C 59 31.829 29.243 2.586 1
1 654 . 6 1 1 A 62 62 ASN H H 61 8.465 8.141 0.324 1
1 655 . 6 1 1 A 62 62 ASN HA H 61 4.769 4.911 -0.142 1
1 657 . 6 1 1 A 62 62 ASN CA C 61 53.310 52.942 0.368 1
1 658 . 6 1 1 A 62 62 ASN CB C 61 38.545 40.839 -2.294 1
1 659 . 6 1 1 A 62 62 ASN N N 61 120.049 115.448 4.601 1
1 660 . 6 1 1 A 63 63 GLU H H 62 8.369 7.647 0.722 1
1 661 . 6 1 1 A 63 63 GLU HA H 62 4.348 4.608 -0.260 1
1 666 . 6 1 1 A 63 63 GLU CA C 62 56.828 55.137 1.691 1
1 667 . 6 1 1 A 63 63 GLU CB C 62 30.044 27.699 2.345 1
1 669 . 6 1 1 A 63 63 GLU N N 62 120.260 120.275 -0.015 1
1 670 . 6 1 1 A 64 64 SER H H 63 8.254 8.660 -0.406 1
1 671 . 6 1 1 A 64 64 SER HA H 63 4.494 4.555 -0.061 1
1 674 . 6 1 1 A 64 64 SER CA C 63 58.213 58.743 -0.530 1
1 675 . 6 1 1 A 64 64 SER CB C 63 63.799 64.183 -0.384 1
1 676 . 6 1 1 A 64 64 SER N N 63 115.291 117.065 -1.774 1
1 677 . 6 1 1 A 65 65 GLY H H 64 8.294 7.443 0.851 1
1 678 . 6 1 1 A 65 65 GLY HA2 H 64 4.001 4.072 -0.071 1
1 679 . 6 1 1 A 65 65 GLY CA C 64 45.306 45.718 -0.412 1
1 680 . 6 1 1 A 65 65 GLY N N 64 110.364 108.202 2.162 1
1 681 . 6 1 1 A 66 66 ASP H H 65 8.227 8.830 -0.603 1
1 682 . 6 1 1 A 66 66 ASP HA H 65 4.664 4.259 0.405 1
1 684 . 6 1 1 A 66 66 ASP CA C 65 54.180 55.196 -1.016 1
1 685 . 6 1 1 A 66 66 ASP CB C 65 41.160 39.486 1.674 1
1 686 . 6 1 1 A 66 66 ASP N N 65 119.894 118.995 0.899 1
1 687 . 6 1 1 A 67 67 GLY H H 66 8.379 8.139 0.240 1
1 688 . 6 1 1 A 67 67 GLY HA2 H 66 3.997 4.193 -0.196 1
1 689 . 6 1 1 A 67 67 GLY CA C 66 45.216 45.795 -0.579 1
1 690 . 6 1 1 A 67 67 GLY N N 66 108.939 108.719 0.220 1
1 691 . 6 1 1 A 68 68 VAL H H 67 8.008 8.290 -0.282 1
1 692 . 6 1 1 A 68 68 VAL HA H 67 4.164 4.520 -0.356 1
1 700 . 6 1 1 A 68 68 VAL CA C 67 62.133 60.431 1.702 1
1 701 . 6 1 1 A 68 68 VAL CB C 67 32.509 31.041 1.468 1
1 704 . 6 1 1 A 68 68 VAL N N 67 118.651 116.537 2.114 1
1 705 . 6 1 1 A 69 69 ASP H H 68 8.441 8.132 0.309 1
1 706 . 6 1 1 A 69 69 ASP HA H 68 4.664 4.328 0.336 1
1 709 . 6 1 1 A 69 69 ASP CA C 68 54.211 54.878 -0.667 1
1 710 . 6 1 1 A 69 69 ASP CB C 68 40.995 39.312 1.683 1
1 711 . 6 1 1 A 69 69 ASP N N 68 122.953 121.341 1.612 1
1 712 . 6 1 1 A 70 70 GLY H H 69 8.231 8.178 0.053 1
1 713 . 6 1 1 A 70 70 GLY HA2 H 69 3.980 4.140 -0.160 1
1 714 . 6 1 1 A 70 70 GLY CA C 69 45.347 45.676 -0.329 1
1 715 . 6 1 1 A 70 70 GLY N N 69 108.501 108.671 -0.170 1
1 716 . 6 1 1 A 71 71 LYS H H 70 8.097 7.465 0.632 1
1 717 . 6 1 1 A 71 71 LYS HA H 70 4.552 4.290 0.262 1
1 725 . 6 1 1 A 71 71 LYS CA C 70 55.514 56.283 -0.769 1
1 726 . 6 1 1 A 71 71 LYS CB C 70 33.267 33.270 -0.003 1
1 730 . 6 1 1 A 71 71 LYS N N 70 120.089 119.713 0.376 1
1 731 . 6 1 1 A 72 72 MET H H 71 8.485 8.499 -0.014 1
1 732 . 6 1 1 A 72 72 MET HA H 71 4.622 4.493 0.129 1
1 740 . 6 1 1 A 72 72 MET CA C 71 54.810 55.110 -0.300 1
1 741 . 6 1 1 A 72 72 MET CB C 71 34.060 33.135 0.925 1
1 744 . 6 1 1 A 72 72 MET N N 71 121.815 121.650 0.165 1
1 745 . 6 1 1 A 73 73 LEU H H 72 8.792 8.862 -0.070 1
1 746 . 6 1 1 A 73 73 LEU HA H 72 5.140 5.077 0.063 1
1 756 . 6 1 1 A 73 73 LEU CA C 72 53.671 53.646 0.025 1
1 757 . 6 1 1 A 73 73 LEU CB C 72 44.258 43.114 1.144 1
1 761 . 6 1 1 A 73 73 LEU N N 72 124.871 125.554 -0.683 1
1 762 . 6 1 1 A 74 74 MET H H 73 9.089 8.958 0.131 1
1 763 . 6 1 1 A 74 74 MET HA H 73 5.741 5.100 0.641 1
1 770 . 6 1 1 A 74 74 MET CA C 73 53.328 54.623 -1.295 1
1 771 . 6 1 1 A 74 74 MET CB C 73 36.526 34.490 2.036 1
1 774 . 6 1 1 A 74 74 MET N N 73 119.200 123.304 -4.104 1
1 775 . 6 1 1 A 75 75 VAL H H 74 10.046 8.914 1.132 1
1 776 . 6 1 1 A 75 75 VAL HA H 74 6.298 4.900 1.398 1
1 784 . 6 1 1 A 75 75 VAL CA C 74 58.377 60.132 -1.755 1
1 785 . 6 1 1 A 75 75 VAL CB C 74 36.528 35.434 1.094 1
1 788 . 6 1 1 A 75 75 VAL N N 74 116.505 119.860 -3.355 1
1 789 . 6 1 1 A 76 76 THR H H 75 8.519 9.108 -0.589 1
1 790 . 6 1 1 A 76 76 THR HA H 75 4.978 5.428 -0.450 1
1 795 . 6 1 1 A 76 76 THR CA C 75 59.451 60.324 -0.873 1
1 796 . 6 1 1 A 76 76 THR CB C 75 71.755 71.303 0.452 1
1 798 . 6 1 1 A 76 76 THR N N 75 111.166 119.122 -7.956 1
1 799 . 6 1 1 A 77 77 LEU H H 76 10.195 9.169 1.026 1
1 800 . 6 1 1 A 77 77 LEU HA H 76 5.175 4.987 0.188 1
1 810 . 6 1 1 A 77 77 LEU CA C 76 55.214 53.346 1.868 1
1 811 . 6 1 1 A 77 77 LEU CB C 76 45.718 42.447 3.271 1
1 815 . 6 1 1 A 77 77 LEU N N 76 121.235 126.938 -5.703 1
1 816 . 6 1 1 A 78 78 SER H H 77 8.596 8.658 -0.062 1
1 817 . 6 1 1 A 78 78 SER HA H 77 5.427 4.881 0.546 1
1 821 . 6 1 1 A 78 78 SER CA C 77 52.060 55.726 -3.666 1
1 822 . 6 1 1 A 78 78 SER CB C 77 63.768 63.922 -0.154 1
1 823 . 6 1 1 A 78 78 SER N N 77 116.108 119.800 -3.692 1
1 824 . 6 1 1 A 79 79 PRO HA H 78 4.257 4.244 0.013 1
1 831 . 6 1 1 A 79 79 PRO CA C 78 62.972 63.698 -0.726 1
1 832 . 6 1 1 A 79 79 PRO CB C 78 31.667 31.149 0.518 1
1 835 . 6 1 1 A 80 80 THR H H 79 6.796 7.119 -0.323 1
1 836 . 6 1 1 A 80 80 THR HA H 79 4.204 4.588 -0.384 1
1 842 . 6 1 1 A 80 80 THR CA C 79 60.016 59.954 0.062 1
1 843 . 6 1 1 A 80 80 THR CB C 79 68.509 71.445 -2.936 1
1 845 . 6 1 1 A 80 80 THR N N 79 110.183 107.467 2.716 1
1 846 . 6 1 1 A 81 81 LYS H H 80 7.638 8.680 -1.042 1
1 847 . 6 1 1 A 81 81 LYS HA H 80 3.744 4.061 -0.317 1
1 853 . 6 1 1 A 81 81 LYS CA C 80 58.578 58.366 0.212 1
1 854 . 6 1 1 A 81 81 LYS CB C 80 32.325 32.319 0.006 1
1 858 . 6 1 1 A 81 81 LYS N N 80 124.973 119.792 5.181 1
1 859 . 6 1 1 A 82 82 ASP H H 81 8.255 7.642 0.613 1
1 860 . 6 1 1 A 82 82 ASP HA H 81 4.277 4.013 0.264 1
1 863 . 6 1 1 A 82 82 ASP CA C 81 57.378 54.624 2.754 1
1 864 . 6 1 1 A 82 82 ASP CB C 81 39.348 41.412 -2.064 1
1 865 . 6 1 1 A 82 82 ASP N N 81 117.344 117.139 0.205 1
1 866 . 6 1 1 A 83 83 PHE H H 82 7.880 7.483 0.397 1
1 867 . 6 1 1 A 83 83 PHE HA H 82 5.243 4.628 0.615 1
1 875 . 6 1 1 A 83 83 PHE CA C 82 56.927 58.608 -1.681 1
1 876 . 6 1 1 A 83 83 PHE CB C 82 41.679 40.156 1.523 1
1 881 . 6 1 1 A 83 83 PHE N N 82 115.687 118.162 -2.475 1
1 882 . 6 1 1 A 84 84 TRP H H 83 8.718 9.054 -0.336 1
1 883 . 6 1 1 A 84 84 TRP HA H 83 5.445 5.200 0.245 1
1 892 . 6 1 1 A 84 84 TRP CA C 83 57.105 55.923 1.182 1
1 893 . 6 1 1 A 84 84 TRP CB C 83 33.602 33.437 0.165 1
1 898 . 6 1 1 A 84 84 TRP N N 83 119.999 122.513 -2.514 1
1 900 . 6 1 1 A 85 85 LEU H H 84 8.738 7.982 0.756 1
1 901 . 6 1 1 A 85 85 LEU HA H 84 4.802 4.589 0.213 1
1 911 . 6 1 1 A 85 85 LEU CA C 84 56.224 54.896 1.328 1
1 912 . 6 1 1 A 85 85 LEU CB C 84 42.532 42.641 -0.109 1
1 916 . 6 1 1 A 85 85 LEU N N 84 123.889 123.595 0.294 1
1 917 . 6 1 1 A 86 86 HIS H H 85 9.563 9.219 0.344 1
1 918 . 6 1 1 A 86 86 HIS HA H 85 5.027 5.190 -0.163 1
1 923 . 6 1 1 A 86 86 HIS CA C 85 54.704 54.644 0.060 1
1 924 . 6 1 1 A 86 86 HIS CB C 85 33.214 32.940 0.274 1
1 926 . 6 1 1 A 86 86 HIS N N 85 121.782 121.944 -0.162 1
1 927 . 6 1 1 A 87 87 ALA H H 86 8.544 8.433 0.111 1
1 928 . 6 1 1 A 87 87 ALA HA H 86 4.614 4.906 -0.292 1
1 932 . 6 1 1 A 87 87 ALA CA C 86 52.098 51.182 0.916 1
1 933 . 6 1 1 A 87 87 ALA CB C 86 20.690 20.408 0.282 1
1 934 . 6 1 1 A 87 87 ALA N N 86 125.230 126.787 -1.557 1
1 935 . 6 1 1 A 88 88 ASN H H 87 8.846 8.846 0.000 1
1 936 . 6 1 1 A 88 88 ASN HA H 87 4.862 5.270 -0.408 1
1 939 . 6 1 1 A 88 88 ASN CA C 87 51.444 51.917 -0.473 1
1 940 . 6 1 1 A 88 88 ASN CB C 87 37.171 41.130 -3.959 1
1 941 . 6 1 1 A 88 88 ASN N N 87 121.260 120.942 0.318 1
1 942 . 6 1 1 A 89 89 ASN H H 88 8.638 9.187 -0.549 1
1 943 . 6 1 1 A 89 89 ASN HA H 88 4.284 4.595 -0.311 1
1 946 . 6 1 1 A 89 89 ASN CA C 88 55.788 54.706 1.082 1
1 947 . 6 1 1 A 89 89 ASN CB C 88 37.818 37.916 -0.098 1
1 948 . 6 1 1 A 89 89 ASN N N 88 121.570 122.848 -1.278 1
1 949 . 6 1 1 A 90 90 LYS H H 89 8.196 7.709 0.487 1
1 950 . 6 1 1 A 90 90 LYS HA H 89 4.101 3.978 0.123 1
1 957 . 6 1 1 A 90 90 LYS CA C 89 58.402 59.383 -0.981 1
1 958 . 6 1 1 A 90 90 LYS CB C 89 32.018 32.245 -0.227 1
1 962 . 6 1 1 A 90 90 LYS N N 89 119.566 118.933 0.633 1
1 963 . 6 1 1 A 91 91 GLU H H 90 6.917 7.706 -0.789 1
1 964 . 6 1 1 A 91 91 GLU HA H 90 4.378 4.447 -0.069 1
1 969 . 6 1 1 A 91 91 GLU CA C 90 54.864 55.419 -0.555 1
1 970 . 6 1 1 A 91 91 GLU CB C 90 29.597 30.589 -0.992 1
1 972 . 6 1 1 A 91 91 GLU N N 90 114.145 115.936 -1.791 1
1 973 . 6 1 1 A 92 92 HIS H H 91 7.738 7.707 0.031 1
1 974 . 6 1 1 A 92 92 HIS HA H 91 4.181 4.231 -0.050 1
1 978 . 6 1 1 A 92 92 HIS CA C 91 57.189 56.842 0.347 1
1 979 . 6 1 1 A 92 92 HIS CB C 91 26.154 26.762 -0.608 1
1 980 . 6 1 1 A 92 92 HIS N N 91 115.238 116.343 -1.105 1
1 981 . 6 1 1 A 93 93 SER H H 92 8.415 7.274 1.141 1
1 982 . 6 1 1 A 93 93 SER HA H 92 5.185 5.057 0.128 1
1 985 . 6 1 1 A 93 93 SER CA C 92 56.374 56.372 0.002 1
1 986 . 6 1 1 A 93 93 SER CB C 92 67.005 66.669 0.336 1
1 987 . 6 1 1 A 93 93 SER N N 92 113.966 111.096 2.870 1
1 988 . 6 1 1 A 94 94 VAL H H 93 8.251 8.728 -0.477 1
1 989 . 6 1 1 A 94 94 VAL HA H 93 4.868 4.754 0.114 1
1 997 . 6 1 1 A 94 94 VAL CA C 93 60.478 61.577 -1.099 1
1 998 . 6 1 1 A 94 94 VAL CB C 93 33.120 32.705 0.415 1
1 1001 . 6 1 1 A 94 94 VAL N N 93 116.256 121.383 -5.127 1
1 1002 . 6 1 1 A 95 95 GLU H H 94 8.904 9.015 -0.111 1
1 1003 . 6 1 1 A 95 95 GLU HA H 94 4.878 4.983 -0.105 1
1 1008 . 6 1 1 A 95 95 GLU CA C 94 53.455 54.548 -1.093 1
1 1009 . 6 1 1 A 95 95 GLU CB C 94 34.430 33.327 1.103 1
1 1011 . 6 1 1 A 95 95 GLU N N 94 122.142 126.318 -4.176 1
1 1012 . 6 1 1 A 96 96 LEU H H 95 8.237 8.004 0.233 1
1 1013 . 6 1 1 A 96 96 LEU HA H 95 4.974 5.320 -0.346 1
1 1023 . 6 1 1 A 96 96 LEU CA C 95 53.731 53.922 -0.191 1
1 1024 . 6 1 1 A 96 96 LEU CB C 95 43.478 43.073 0.405 1
1 1028 . 6 1 1 A 96 96 LEU N N 95 121.305 122.426 -1.121 1
1 1029 . 6 1 1 A 97 97 HIS H H 96 8.294 9.550 -1.256 1
1 1030 . 6 1 1 A 97 97 HIS HA H 96 4.947 5.159 -0.212 1
1 1034 . 6 1 1 A 97 97 HIS CA C 96 54.144 54.430 -0.286 1
1 1035 . 6 1 1 A 97 97 HIS CB C 96 33.344 33.710 -0.366 1
1 1036 . 6 1 1 A 97 97 HIS N N 96 119.193 121.615 -2.422 1
1 1037 . 6 1 1 A 98 98 LYS H H 97 8.582 9.135 -0.553 1
1 1038 . 6 1 1 A 98 98 LYS HA H 97 4.564 4.695 -0.131 1
1 1046 . 6 1 1 A 98 98 LYS CA C 97 55.190 55.039 0.151 1
1 1047 . 6 1 1 A 98 98 LYS CB C 97 31.941 33.404 -1.463 1
1 1051 . 6 1 1 A 98 98 LYS N N 97 127.478 123.189 4.289 1
1 1052 . 6 1 1 A 99 99 CYS H H 98 8.695 8.866 -0.171 1
1 1053 . 6 1 1 A 99 99 CYS HA H 98 4.822 4.954 -0.132 1
1 1056 . 6 1 1 A 99 99 CYS CA C 98 57.391 57.508 -0.117 1
1 1057 . 6 1 1 A 99 99 CYS CB C 98 30.916 30.795 0.121 1
1 1058 . 6 1 1 A 99 99 CYS N N 98 122.622 125.335 -2.713 1
1 1059 . 6 1 1 A 100 100 GLU H H 99 8.251 8.635 -0.384 1
1 1060 . 6 1 1 A 100 100 GLU HA H 99 4.513 4.385 0.128 1
1 1064 . 6 1 1 A 100 100 GLU CA C 99 54.674 56.634 -1.960 1
1 1065 . 6 1 1 A 100 100 GLU CB C 99 31.421 30.638 0.783 1
1 1067 . 6 1 1 A 100 100 GLU N N 99 121.252 121.909 -0.657 1
1 1068 . 6 1 1 A 101 101 LYS H H 100 8.195 8.997 -0.802 1
1 1069 . 6 1 1 A 101 101 LYS HA H 100 3.953 4.087 -0.134 1
1 1077 . 6 1 1 A 101 101 LYS CA C 100 55.042 61.401 -6.359 1
1 1078 . 6 1 1 A 101 101 LYS CB C 100 31.473 30.212 1.261 1
1 1082 . 6 1 1 A 101 101 LYS N N 100 118.588 123.720 -5.132 1
1 1083 . 6 1 1 A 102 102 PRO HA H 101 4.447 4.410 0.037 1
1 1090 . 6 1 1 A 102 102 PRO CA C 101 61.513 62.468 -0.955 1
1 1091 . 6 1 1 A 102 102 PRO CB C 101 34.073 30.036 4.037 1
1 1094 . 6 1 1 A 103 103 LEU H H 102 8.384 7.792 0.592 1
1 1095 . 6 1 1 A 103 103 LEU HA H 102 4.175 4.123 0.052 1
1 1105 . 6 1 1 A 103 103 LEU CA C 102 52.733 53.563 -0.830 1
1 1106 . 6 1 1 A 103 103 LEU CB C 102 41.000 41.646 -0.646 1
1 1110 . 6 1 1 A 103 103 LEU N N 102 123.679 124.437 -0.758 1
1 1111 . 6 1 1 A 104 104 PRO HA H 103 4.658 4.562 0.096 1
1 1118 . 6 1 1 A 104 104 PRO CA C 103 61.564 62.381 -0.817 1
1 1119 . 6 1 1 A 104 104 PRO CB C 103 32.310 33.035 -0.725 1
1 1122 . 6 1 1 A 105 105 ASP H H 104 8.605 8.627 -0.022 1
1 1123 . 6 1 1 A 105 105 ASP HA H 104 4.275 4.453 -0.178 1
1 1126 . 6 1 1 A 105 105 ASP CA C 104 57.659 56.818 0.841 1
1 1127 . 6 1 1 A 105 105 ASP CB C 104 40.754 40.466 0.288 1
1 1128 . 6 1 1 A 105 105 ASP N N 104 119.037 120.401 -1.364 1
1 1129 . 6 1 1 A 106 106 GLN H H 105 8.330 8.058 0.272 1
1 1130 . 6 1 1 A 106 106 GLN HA H 105 4.189 4.108 0.081 1
1 1135 . 6 1 1 A 106 106 GLN CA C 105 58.516 56.763 1.753 1
1 1136 . 6 1 1 A 106 106 GLN CB C 105 27.206 28.258 -1.052 1
1 1138 . 6 1 1 A 106 106 GLN N N 105 113.235 117.074 -3.839 1
1 1139 . 6 1 1 A 107 107 ALA H H 106 7.763 7.479 0.284 1
1 1140 . 6 1 1 A 107 107 ALA HA H 106 4.862 3.951 0.911 1
1 1144 . 6 1 1 A 107 107 ALA CA C 106 50.856 52.331 -1.475 1
1 1145 . 6 1 1 A 107 107 ALA CB C 106 18.420 19.529 -1.109 1
1 1146 . 6 1 1 A 107 107 ALA N N 106 121.188 121.060 0.128 1
1 1147 . 6 1 1 A 108 108 PHE H H 107 7.291 7.346 -0.055 1
1 1148 . 6 1 1 A 108 108 PHE HA H 107 4.675 4.560 0.115 1
1 1156 . 6 1 1 A 108 108 PHE CA C 107 57.225 56.496 0.729 1
1 1157 . 6 1 1 A 108 108 PHE CB C 107 41.449 39.294 2.155 1
1 1163 . 6 1 1 A 108 108 PHE N N 107 114.254 115.391 -1.137 1
1 1164 . 6 1 1 A 109 109 PHE H H 108 9.089 9.000 0.089 1
1 1165 . 6 1 1 A 109 109 PHE HA H 108 5.216 5.039 0.177 1
1 1173 . 6 1 1 A 109 109 PHE CA C 108 55.752 56.778 -1.026 1
1 1174 . 6 1 1 A 109 109 PHE CB C 108 41.744 41.108 0.636 1
1 1180 . 6 1 1 A 109 109 PHE N N 108 119.202 122.177 -2.975 1
1 1181 . 6 1 1 A 110 110 VAL H H 109 10.389 8.824 1.565 1
1 1182 . 6 1 1 A 110 110 VAL HA H 109 4.299 4.155 0.144 1
1 1190 . 6 1 1 A 110 110 VAL CA C 109 62.758 63.457 -0.699 1
1 1191 . 6 1 1 A 110 110 VAL CB C 109 33.099 31.619 1.480 1
1 1194 . 6 1 1 A 110 110 VAL N N 109 125.234 124.672 0.562 1
1 1195 . 6 1 1 A 111 111 LEU H H 110 8.568 8.681 -0.113 1
1 1196 . 6 1 1 A 111 111 LEU HA H 110 4.872 4.804 0.068 1
1 1206 . 6 1 1 A 111 111 LEU CA C 110 54.077 55.437 -1.360 1
1 1207 . 6 1 1 A 111 111 LEU CB C 110 43.562 43.095 0.467 1
1 1211 . 6 1 1 A 111 111 LEU N N 110 130.826 130.399 0.427 1
1 1212 . 6 1 1 A 112 112 HIS H H 111 9.070 9.095 -0.025 1
1 1213 . 6 1 1 A 112 112 HIS HA H 111 4.917 5.060 -0.143 1
1 1217 . 6 1 1 A 112 112 HIS CA C 111 54.229 54.714 -0.485 1
1 1218 . 6 1 1 A 112 112 HIS CB C 111 31.745 32.941 -1.196 1
1 1219 . 6 1 1 A 112 112 HIS N N 111 124.953 125.216 -0.263 1
1 1220 . 6 1 1 A 113 113 ASN H H 112 9.018 8.885 0.133 1
1 1221 . 6 1 1 A 113 113 ASN HA H 112 4.912 4.872 0.040 1
1 1224 . 6 1 1 A 113 113 ASN CA C 112 54.151 52.868 1.283 1
1 1225 . 6 1 1 A 113 113 ASN CB C 112 38.868 38.926 -0.058 1
1 1226 . 6 1 1 A 113 113 ASN N N 112 122.645 121.074 1.571 1
1 1227 . 6 1 1 A 114 114 MET H H 113 8.314 8.418 -0.104 1
1 1228 . 6 1 1 A 114 114 MET HA H 113 4.891 4.596 0.295 1
1 1236 . 6 1 1 A 114 114 MET CA C 113 53.171 56.490 -3.319 1
1 1237 . 6 1 1 A 114 114 MET CB C 113 32.922 33.843 -0.921 1
1 1240 . 6 1 1 A 114 114 MET N N 113 123.103 121.394 1.709 1
1 1241 . 6 1 1 A 115 115 HIS H H 114 7.453 8.188 -0.735 1
1 1242 . 6 1 1 A 115 115 HIS HA H 114 4.664 4.925 -0.261 1
1 1246 . 6 1 1 A 115 115 HIS CA C 114 55.572 55.255 0.317 1
1 1247 . 6 1 1 A 115 115 HIS CB C 114 30.856 31.664 -0.808 1
1 1248 . 6 1 1 A 115 115 HIS N N 114 115.450 114.723 0.727 1
1 1250 . 6 1 1 A 116 116 SER CB C 115 61.131 63.209 -2.078 1
1 1251 . 6 1 1 A 117 117 ASN H H 116 8.912 8.187 0.725 1
1 1252 . 6 1 1 A 117 117 ASN HA H 116 4.556 4.928 -0.372 1
1 1255 . 6 1 1 A 117 117 ASN CA C 116 54.106 53.060 1.046 1
1 1256 . 6 1 1 A 117 117 ASN CB C 116 37.615 40.028 -2.413 1
1 1257 . 6 1 1 A 117 117 ASN N N 116 113.703 115.818 -2.115 1
1 1258 . 6 1 1 A 118 118 CYS H H 117 7.532 7.590 -0.058 1
1 1259 . 6 1 1 A 118 118 CYS HA H 117 5.316 4.914 0.402 1
1 1262 . 6 1 1 A 118 118 CYS CA C 117 58.639 58.444 0.195 1
1 1263 . 6 1 1 A 118 118 CYS CB C 117 30.949 27.816 3.133 1
1 1264 . 6 1 1 A 118 118 CYS N N 117 115.213 119.500 -4.287 1
1 1265 . 6 1 1 A 119 119 VAL H H 118 9.617 9.044 0.573 1
1 1266 . 6 1 1 A 119 119 VAL HA H 118 5.397 5.062 0.335 1
1 1274 . 6 1 1 A 119 119 VAL CA C 118 58.788 58.967 -0.179 1
1 1275 . 6 1 1 A 119 119 VAL CB C 118 35.745 35.983 -0.238 1
1 1278 . 6 1 1 A 119 119 VAL N N 118 116.144 119.697 -3.553 1
1 1279 . 6 1 1 A 120 120 SER H H 119 8.578 8.890 -0.312 1
1 1280 . 6 1 1 A 120 120 SER HA H 119 5.089 5.325 -0.236 1
1 1283 . 6 1 1 A 120 120 SER CA C 119 57.311 55.955 1.356 1
1 1284 . 6 1 1 A 120 120 SER CB C 119 67.751 66.261 1.490 1
1 1285 . 6 1 1 A 120 120 SER N N 119 113.930 117.553 -3.623 1
1 1286 . 6 1 1 A 121 121 PHE H H 120 10.612 9.063 1.549 1
1 1287 . 6 1 1 A 121 121 PHE HA H 120 5.365 5.204 0.161 1
1 1294 . 6 1 1 A 121 121 PHE CA C 120 55.797 56.209 -0.412 1
1 1295 . 6 1 1 A 121 121 PHE CB C 120 41.542 40.194 1.348 1
1 1300 . 6 1 1 A 121 121 PHE N N 120 120.777 123.800 -3.023 1
1 1301 . 6 1 1 A 122 122 GLU H H 121 9.509 9.214 0.295 1
1 1302 . 6 1 1 A 122 122 GLU HA H 121 4.537 4.788 -0.251 1
1 1307 . 6 1 1 A 122 122 GLU CA C 121 53.200 55.814 -2.614 1
1 1308 . 6 1 1 A 122 122 GLU CB C 121 32.943 30.707 2.236 1
1 1310 . 6 1 1 A 122 122 GLU N N 121 126.070 126.121 -0.051 1
1 1311 . 6 1 1 A 123 123 CYS H H 122 9.405 8.940 0.465 1
1 1312 . 6 1 1 A 123 123 CYS HA H 122 4.065 4.761 -0.696 1
1 1315 . 6 1 1 A 123 123 CYS CA C 122 61.504 59.239 2.265 1
1 1316 . 6 1 1 A 123 123 CYS CB C 122 27.626 27.652 -0.026 1
1 1317 . 6 1 1 A 123 123 CYS N N 122 127.122 125.849 1.273 1
1 1318 . 6 1 1 A 124 124 LYS H H 123 7.533 8.858 -1.325 1
1 1319 . 6 1 1 A 124 124 LYS HA H 123 3.831 4.248 -0.417 1
1 1326 . 6 1 1 A 124 124 LYS CA C 123 59.245 58.269 0.976 1
1 1327 . 6 1 1 A 124 124 LYS CB C 123 32.946 32.487 0.459 1
1 1331 . 6 1 1 A 124 124 LYS N N 123 125.643 125.938 -0.295 1
1 1332 . 6 1 1 A 125 125 THR H H 124 8.020 7.713 0.307 1
1 1333 . 6 1 1 A 125 125 THR HA H 124 4.216 4.481 -0.265 1
1 1338 . 6 1 1 A 125 125 THR CA C 124 61.424 62.603 -1.179 1
1 1339 . 6 1 1 A 125 125 THR CB C 124 68.505 69.880 -1.375 1
1 1341 . 6 1 1 A 125 125 THR N N 124 102.851 107.653 -4.802 1
1 1342 . 6 1 1 A 126 126 ASP H H 125 6.456 8.094 -1.638 1
1 1343 . 6 1 1 A 126 126 ASP HA H 125 5.125 5.067 0.058 1
1 1346 . 6 1 1 A 126 126 ASP CA C 125 51.060 51.455 -0.395 1
1 1347 . 6 1 1 A 126 126 ASP CB C 125 42.308 41.484 0.824 1
1 1348 . 6 1 1 A 126 126 ASP N N 125 119.891 121.411 -1.520 1
1 1349 . 6 1 1 A 127 127 PRO HA H 126 4.366 4.249 0.117 1
1 1356 . 6 1 1 A 127 127 PRO CA C 126 63.377 63.832 -0.455 1
1 1357 . 6 1 1 A 127 127 PRO CB C 126 31.816 31.355 0.461 1
1 1360 . 6 1 1 A 128 128 GLY H H 127 10.553 8.556 1.997 1
1 1361 . 6 1 1 A 128 128 GLY HA2 H 127 3.775 3.825 -0.050 1
1 1362 . 6 1 1 A 128 128 GLY HA3 H 127 4.318 3.885 0.433 1
1 1363 . 6 1 1 A 128 128 GLY CA C 127 44.954 45.317 -0.363 1
1 1364 . 6 1 1 A 128 128 GLY N N 127 113.361 112.469 0.892 1
1 1365 . 6 1 1 A 129 129 VAL H H 128 7.846 7.248 0.598 1
1 1366 . 6 1 1 A 129 129 VAL HA H 128 4.794 4.534 0.260 1
1 1374 . 6 1 1 A 129 129 VAL CA C 128 61.754 60.825 0.929 1
1 1375 . 6 1 1 A 129 129 VAL CB C 128 31.449 34.151 -2.702 1
1 1378 . 6 1 1 A 129 129 VAL N N 128 121.005 121.590 -0.585 1
1 1379 . 6 1 1 A 130 130 PHE H H 129 9.293 9.366 -0.073 1
1 1380 . 6 1 1 A 130 130 PHE HA H 129 5.819 5.390 0.429 1
1 1388 . 6 1 1 A 130 130 PHE CA C 129 55.600 56.234 -0.634 1
1 1389 . 6 1 1 A 130 130 PHE CB C 129 42.773 42.972 -0.199 1
1 1395 . 6 1 1 A 130 130 PHE N N 129 126.384 125.303 1.081 1
1 1396 . 6 1 1 A 131 131 ILE H H 130 8.555 8.602 -0.047 1
1 1397 . 6 1 1 A 131 131 ILE HA H 130 4.375 4.496 -0.121 1
1 1407 . 6 1 1 A 131 131 ILE CA C 130 63.278 61.340 1.938 1
1 1408 . 6 1 1 A 131 131 ILE CB C 130 37.850 37.602 0.248 1
1 1412 . 6 1 1 A 131 131 ILE N N 130 118.433 124.406 -5.973 1
1 1413 . 6 1 1 A 132 132 GLY H H 131 9.225 8.718 0.507 1
1 1414 . 6 1 1 A 132 132 GLY HA2 H 131 3.693 4.488 -0.795 1
1 1415 . 6 1 1 A 132 132 GLY HA3 H 131 5.248 4.801 0.447 1
1 1416 . 6 1 1 A 132 132 GLY CA C 131 45.218 45.372 -0.154 1
1 1417 . 6 1 1 A 132 132 GLY N N 131 113.442 114.759 -1.317 1
1 1418 . 6 1 1 A 133 133 VAL H H 132 8.177 8.466 -0.289 1
1 1419 . 6 1 1 A 133 133 VAL HA H 132 4.710 4.529 0.181 1
1 1427 . 6 1 1 A 133 133 VAL CA C 132 61.537 62.820 -1.283 1
1 1428 . 6 1 1 A 133 133 VAL CB C 132 33.281 31.027 2.254 1
1 1431 . 6 1 1 A 133 133 VAL N N 132 118.438 121.071 -2.633 1
1 1432 . 6 1 1 A 134 134 LYS H H 133 8.752 8.641 0.111 1
1 1433 . 6 1 1 A 134 134 LYS HA H 133 4.472 3.762 0.710 1
1 1440 . 6 1 1 A 134 134 LYS CA C 133 55.257 59.445 -4.188 1
1 1441 . 6 1 1 A 134 134 LYS CB C 133 35.500 32.741 2.759 1
1 1445 . 6 1 1 A 134 134 LYS N N 133 127.706 130.162 -2.456 1
1 1446 . 6 1 1 A 135 135 ASP H H 134 9.321 7.823 1.498 1
1 1447 . 6 1 1 A 135 135 ASP HA H 134 4.230 4.533 -0.303 1
1 1450 . 6 1 1 A 135 135 ASP CA C 134 55.965 55.871 0.094 1
1 1451 . 6 1 1 A 135 135 ASP CB C 134 39.212 42.096 -2.884 1
1 1452 . 6 1 1 A 135 135 ASP N N 134 126.815 118.228 8.587 1
1 1453 . 6 1 1 A 136 136 ASN H H 135 8.603 7.722 0.881 1
1 1454 . 6 1 1 A 136 136 ASN HA H 135 4.380 4.899 -0.519 1
1 1457 . 6 1 1 A 136 136 ASN CA C 135 54.117 52.577 1.540 1
1 1458 . 6 1 1 A 136 136 ASN CB C 135 37.384 39.851 -2.467 1
1 1459 . 6 1 1 A 136 136 ASN N N 135 113.023 111.635 1.388 1
1 1460 . 6 1 1 A 137 137 HIS H H 136 8.112 7.290 0.822 1
1 1461 . 6 1 1 A 137 137 HIS HA H 136 5.116 5.334 -0.218 1
1 1465 . 6 1 1 A 137 137 HIS CA C 136 54.190 53.702 0.488 1
1 1466 . 6 1 1 A 137 137 HIS CB C 136 31.681 32.534 -0.853 1
1 1467 . 6 1 1 A 137 137 HIS N N 136 115.753 114.769 0.984 1
1 1468 . 6 1 1 A 138 138 LEU H H 137 8.553 8.652 -0.099 1
1 1469 . 6 1 1 A 138 138 LEU HA H 137 5.251 4.590 0.661 1
1 1479 . 6 1 1 A 138 138 LEU CA C 137 54.147 54.891 -0.744 1
1 1480 . 6 1 1 A 138 138 LEU CB C 137 42.849 42.368 0.481 1
1 1484 . 6 1 1 A 138 138 LEU N N 137 118.446 120.923 -2.477 1
1 1485 . 6 1 1 A 139 139 ALA H H 138 9.357 8.877 0.480 1
1 1486 . 6 1 1 A 139 139 ALA HA H 138 4.760 4.963 -0.203 1
1 1490 . 6 1 1 A 139 139 ALA CA C 138 51.091 51.528 -0.437 1
1 1491 . 6 1 1 A 139 139 ALA CB C 138 22.924 23.156 -0.232 1
1 1492 . 6 1 1 A 139 139 ALA N N 138 126.689 125.146 1.543 1
1 1493 . 6 1 1 A 140 140 LEU H H 139 7.287 8.739 -1.452 1
1 1494 . 6 1 1 A 140 140 LEU HA H 139 5.278 4.490 0.788 1
1 1504 . 6 1 1 A 140 140 LEU CA C 139 53.026 54.780 -1.754 1
1 1505 . 6 1 1 A 140 140 LEU CB C 139 42.025 40.852 1.173 1
1 1509 . 6 1 1 A 140 140 LEU N N 139 116.219 121.071 -4.852 1
1 1510 . 6 1 1 A 141 141 ILE H H 140 9.676 8.994 0.682 1
1 1511 . 6 1 1 A 141 141 ILE HA H 140 4.321 4.757 -0.436 1
1 1521 . 6 1 1 A 141 141 ILE CA C 140 59.331 60.724 -1.393 1
1 1522 . 6 1 1 A 141 141 ILE CB C 140 40.745 38.539 2.206 1
1 1526 . 6 1 1 A 141 141 ILE N N 140 124.052 125.845 -1.793 1
1 1527 . 6 1 1 A 142 142 LYS H H 141 8.665 8.767 -0.102 1
1 1528 . 6 1 1 A 142 142 LYS HA H 141 5.053 4.817 0.236 1
1 1534 . 6 1 1 A 142 142 LYS CA C 141 55.586 56.056 -0.470 1
1 1535 . 6 1 1 A 142 142 LYS CB C 141 32.709 33.238 -0.529 1
1 1539 . 6 1 1 A 142 142 LYS N N 141 128.856 128.373 0.483 1
1 1540 . 6 1 1 A 143 143 VAL H H 142 8.757 9.074 -0.317 1
1 1541 . 6 1 1 A 143 143 VAL HA H 142 4.223 4.949 -0.726 1
1 1549 . 6 1 1 A 143 143 VAL CA C 142 62.032 60.660 1.372 1
1 1550 . 6 1 1 A 143 143 VAL CB C 142 33.008 34.401 -1.393 1
1 1553 . 6 1 1 A 143 143 VAL N N 142 127.220 126.833 0.387 1
1 1554 . 6 1 1 A 144 144 ASP H H 143 8.595 8.759 -0.164 1
1 1555 . 6 1 1 A 144 144 ASP HA H 143 4.698 5.070 -0.372 1
1 1557 . 6 1 1 A 144 144 ASP CB C 143 41.517 44.392 -2.875 1
1 1558 . 6 1 1 A 144 144 ASP N N 143 125.250 125.345 -0.095 1
1 1559 . 6 1 1 A 145 145 SER H H 144 8.296 8.805 -0.509 1
1 1560 . 6 1 1 A 145 145 SER HA H 144 4.455 4.424 0.031 1
1 1563 . 6 1 1 A 145 145 SER CA C 144 58.814 59.081 -0.267 1
1 1564 . 6 1 1 A 145 145 SER CB C 144 63.202 62.894 0.308 1
1 1565 . 6 1 1 A 145 145 SER N N 144 116.695 116.874 -0.179 1
1 1566 . 6 1 1 A 146 146 SER H H 145 8.512 8.895 -0.383 1
1 1567 . 6 1 1 A 146 146 SER HA H 145 4.393 4.136 0.257 1
1 1570 . 6 1 1 A 146 146 SER CA C 145 59.286 61.098 -1.812 1
1 1571 . 6 1 1 A 146 146 SER CB C 145 63.396 62.824 0.572 1
1 1572 . 6 1 1 A 146 146 SER N N 145 117.509 119.894 -2.385 1
1 1573 . 6 1 1 A 147 147 GLU H H 146 8.145 8.263 -0.118 1
1 1574 . 6 1 1 A 147 147 GLU HA H 146 4.351 4.129 0.222 1
1 1578 . 6 1 1 A 147 147 GLU CA C 146 56.389 58.881 -2.492 1
1 1579 . 6 1 1 A 147 147 GLU N N 146 121.023 121.864 -0.841 1
1 1580 . 6 1 1 A 148 148 ASN H H 147 8.145 7.879 0.266 1
1 1581 . 6 1 1 A 148 148 ASN HA H 147 4.584 4.577 0.007 1
1 1584 . 6 1 1 A 148 148 ASN CA C 147 53.643 53.486 0.157 1
1 1585 . 6 1 1 A 148 148 ASN CB C 147 38.423 38.192 0.231 1
1 1586 . 6 1 1 A 148 148 ASN N N 147 118.043 117.546 0.497 1
1 1587 . 6 1 1 A 149 149 LEU H H 148 7.953 7.487 0.466 1
1 1588 . 6 1 1 A 149 149 LEU HA H 148 4.294 4.458 -0.164 1
1 1598 . 6 1 1 A 149 149 LEU CA C 148 55.249 54.160 1.089 1
1 1599 . 6 1 1 A 149 149 LEU CB C 148 42.000 42.109 -0.109 1
1 1603 . 6 1 1 A 149 149 LEU N N 148 120.366 117.650 2.716 1
1 1604 . 6 1 1 A 150 150 CYS H H 149 8.141 7.580 0.561 1
1 1605 . 6 1 1 A 150 150 CYS HA H 149 4.517 4.702 -0.185 1
1 1608 . 6 1 1 A 150 150 CYS CA C 149 57.817 58.117 -0.300 1
1 1609 . 6 1 1 A 150 150 CYS CB C 149 27.529 28.731 -1.202 1
1 1610 . 6 1 1 A 150 150 CYS N N 149 118.879 119.436 -0.557 1
1 1611 . 6 1 1 A 151 151 THR H H 150 7.892 7.582 0.310 1
1 1612 . 6 1 1 A 151 151 THR HA H 150 4.191 4.475 -0.284 1
1 1617 . 6 1 1 A 151 151 THR CA C 150 61.680 61.453 0.227 1
1 1618 . 6 1 1 A 151 151 THR CB C 150 68.930 68.256 0.674 1
1 1620 . 6 1 1 A 151 151 THR N N 150 117.354 116.494 0.860 1
1 1621 . 6 1 1 A 152 152 GLU H H 151 8.547 8.714 -0.167 1
1 1622 . 6 1 1 A 152 152 GLU HA H 151 3.600 4.031 -0.431 1
1 1627 . 6 1 1 A 152 152 GLU CA C 151 59.126 58.714 0.412 1
1 1628 . 6 1 1 A 152 152 GLU CB C 151 28.575 29.326 -0.751 1
1 1630 . 6 1 1 A 152 152 GLU N N 151 122.526 127.688 -5.162 1
1 1631 . 6 1 1 A 153 153 ASN H H 152 8.140 8.039 0.101 1
1 1632 . 6 1 1 A 153 153 ASN HA H 152 4.525 4.501 0.024 1
1 1635 . 6 1 1 A 153 153 ASN CA C 152 54.838 56.303 -1.465 1
1 1636 . 6 1 1 A 153 153 ASN CB C 152 37.230 38.251 -1.021 1
1 1637 . 6 1 1 A 153 153 ASN N N 152 113.916 117.763 -3.847 1
1 1638 . 6 1 1 A 154 154 ILE H H 153 6.885 7.538 -0.653 1
1 1639 . 6 1 1 A 154 154 ILE HA H 153 5.150 4.499 0.651 1
1 1649 . 6 1 1 A 154 154 ILE CA C 153 60.523 62.555 -2.032 1
1 1650 . 6 1 1 A 154 154 ILE CB C 153 38.399 37.998 0.401 1
1 1654 . 6 1 1 A 154 154 ILE N N 153 108.606 113.068 -4.462 1
1 1655 . 6 1 1 A 155 155 LEU H H 154 7.162 7.297 -0.135 1
1 1656 . 6 1 1 A 155 155 LEU HA H 154 4.654 4.521 0.133 1
1 1666 . 6 1 1 A 155 155 LEU CA C 154 54.179 54.150 0.029 1
1 1667 . 6 1 1 A 155 155 LEU CB C 154 43.178 41.988 1.190 1
1 1671 . 6 1 1 A 155 155 LEU N N 154 123.152 123.781 -0.629 1
1 1672 . 6 1 1 A 156 156 PHE H H 155 9.292 9.473 -0.181 1
1 1673 . 6 1 1 A 156 156 PHE HA H 155 5.175 5.251 -0.076 1
1 1681 . 6 1 1 A 156 156 PHE CA C 155 56.409 56.254 0.155 1
1 1682 . 6 1 1 A 156 156 PHE CB C 155 43.001 43.911 -0.910 1
1 1688 . 6 1 1 A 156 156 PHE N N 155 119.900 123.650 -3.750 1
1 1689 . 6 1 1 A 157 157 LYS H H 156 9.195 8.964 0.231 1
1 1690 . 6 1 1 A 157 157 LYS HA H 156 4.966 5.059 -0.093 1
1 1698 . 6 1 1 A 157 157 LYS CA C 156 55.200 55.084 0.116 1
1 1699 . 6 1 1 A 157 157 LYS CB C 156 35.002 35.632 -0.630 1
1 1703 . 6 1 1 A 157 157 LYS N N 156 118.435 119.909 -1.474 1
1 1704 . 6 1 1 A 158 158 LEU H H 157 8.769 9.125 -0.356 1
1 1705 . 6 1 1 A 158 158 LEU HA H 157 5.356 5.577 -0.221 1
1 1715 . 6 1 1 A 158 158 LEU CA C 157 53.173 53.579 -0.406 1
1 1716 . 6 1 1 A 158 158 LEU CB C 157 44.220 45.228 -1.008 1
1 1720 . 6 1 1 A 158 158 LEU N N 157 122.607 125.280 -2.673 1
1 1721 . 6 1 1 A 159 159 SER H H 158 8.462 9.168 -0.706 1
1 1722 . 6 1 1 A 159 159 SER HA H 158 4.854 5.188 -0.334 1
1 1724 . 6 1 1 A 159 159 SER CA C 158 57.305 57.710 -0.405 1
1 1725 . 6 1 1 A 159 159 SER CB C 158 64.330 65.018 -0.688 1
1 1726 . 6 1 1 A 159 159 SER N N 158 116.051 120.911 -4.860 1
1 1727 . 6 1 1 A 160 160 GLU H H 159 9.008 8.686 0.322 1
1 1728 . 6 1 1 A 160 160 GLU HA H 159 4.606 4.862 -0.256 1
1 1732 . 6 1 1 A 160 160 GLU CA C 159 56.956 55.591 1.365 1
1 1733 . 6 1 1 A 160 160 GLU CB C 159 30.452 29.489 0.963 1
1 1735 . 6 1 1 A 160 160 GLU N N 159 124.532 124.116 0.416 1
1 1 . 7 1 1 A 4 4 ILE H H 3 8.198 8.807 -0.609 1
1 2 . 7 1 1 A 4 4 ILE HA H 3 4.246 4.250 -0.004 1
1 12 . 7 1 1 A 4 4 ILE CA C 3 61.002 61.949 -0.947 1
1 13 . 7 1 1 A 4 4 ILE CB C 3 38.400 41.273 -2.873 1
1 17 . 7 1 1 A 4 4 ILE N N 3 121.904 129.699 -7.795 1
1 18 . 7 1 1 A 5 5 THR H H 4 8.045 7.558 0.487 1
1 19 . 7 1 1 A 5 5 THR HA H 4 4.328 4.279 0.049 1
1 24 . 7 1 1 A 5 5 THR CA C 4 61.754 61.623 0.131 1
1 25 . 7 1 1 A 5 5 THR CB C 4 69.755 70.200 -0.445 1
1 27 . 7 1 1 A 5 5 THR N N 4 117.078 112.273 4.805 1
1 28 . 7 1 1 A 6 6 GLY H H 5 8.294 8.905 -0.611 1
1 29 . 7 1 1 A 6 6 GLY HA2 H 5 3.978 3.884 0.094 1
1 30 . 7 1 1 A 6 6 GLY HA3 H 5 4.040 3.891 0.149 1
1 31 . 7 1 1 A 6 6 GLY CA C 5 45.204 46.599 -1.395 1
1 32 . 7 1 1 A 6 6 GLY N N 5 110.823 112.374 -1.551 1
1 33 . 7 1 1 A 7 7 ILE H H 6 7.850 7.747 0.103 1
1 34 . 7 1 1 A 7 7 ILE HA H 6 4.507 4.373 0.134 1
1 44 . 7 1 1 A 7 7 ILE CA C 6 61.058 59.797 1.261 1
1 45 . 7 1 1 A 7 7 ILE CB C 6 39.405 39.165 0.240 1
1 49 . 7 1 1 A 7 7 ILE N N 6 117.894 118.210 -0.316 1
1 50 . 7 1 1 A 8 8 SER H H 7 8.484 8.890 -0.406 1
1 51 . 7 1 1 A 8 8 SER HA H 7 5.138 5.205 -0.067 1
1 54 . 7 1 1 A 8 8 SER CA C 7 55.586 55.189 0.397 1
1 55 . 7 1 1 A 8 8 SER CB C 7 63.867 64.951 -1.084 1
1 56 . 7 1 1 A 8 8 SER N N 7 119.581 117.076 2.505 1
1 57 . 7 1 1 A 9 9 PRO HA H 8 4.070 3.831 0.239 1
1 64 . 7 1 1 A 9 9 PRO CA C 8 62.783 62.939 -0.156 1
1 65 . 7 1 1 A 9 9 PRO CB C 8 32.390 31.763 0.627 1
1 68 . 7 1 1 A 10 10 ILE H H 9 8.916 8.697 0.219 1
1 69 . 7 1 1 A 10 10 ILE HA H 9 4.231 4.076 0.155 1
1 79 . 7 1 1 A 10 10 ILE CA C 9 62.297 63.159 -0.862 1
1 80 . 7 1 1 A 10 10 ILE CB C 9 39.145 38.969 0.176 1
1 84 . 7 1 1 A 10 10 ILE N N 9 119.667 118.950 0.717 1
1 85 . 7 1 1 A 11 11 THR H H 10 7.263 7.635 -0.372 1
1 86 . 7 1 1 A 11 11 THR HA H 10 4.577 4.659 -0.082 1
1 91 . 7 1 1 A 11 11 THR CA C 10 60.889 60.629 0.260 1
1 92 . 7 1 1 A 11 11 THR CB C 10 69.698 71.242 -1.544 1
1 94 . 7 1 1 A 11 11 THR N N 10 112.847 112.514 0.333 1
1 95 . 7 1 1 A 12 12 GLU H H 11 8.157 8.976 -0.819 1
1 96 . 7 1 1 A 12 12 GLU HA H 11 5.689 5.768 -0.079 1
1 100 . 7 1 1 A 12 12 GLU CA C 11 54.700 55.149 -0.449 1
1 101 . 7 1 1 A 12 12 GLU CB C 11 33.384 33.494 -0.110 1
1 103 . 7 1 1 A 12 12 GLU N N 11 122.192 127.991 -5.799 1
1 104 . 7 1 1 A 13 13 TYR H H 12 8.917 8.772 0.145 1
1 105 . 7 1 1 A 13 13 TYR HA H 12 4.919 5.132 -0.213 1
1 112 . 7 1 1 A 13 13 TYR CA C 12 56.453 56.367 0.086 1
1 113 . 7 1 1 A 13 13 TYR CB C 12 40.158 40.115 0.043 1
1 118 . 7 1 1 A 13 13 TYR N N 12 119.678 121.108 -1.430 1
1 119 . 7 1 1 A 14 14 LEU H H 13 8.420 8.500 -0.080 1
1 120 . 7 1 1 A 14 14 LEU HA H 13 5.201 4.638 0.563 1
1 130 . 7 1 1 A 14 14 LEU CA C 13 53.778 54.538 -0.760 1
1 131 . 7 1 1 A 14 14 LEU CB C 13 43.570 42.773 0.797 1
1 135 . 7 1 1 A 14 14 LEU N N 13 121.655 121.311 0.344 1
1 136 . 7 1 1 A 15 15 ALA H H 14 9.227 8.866 0.361 1
1 137 . 7 1 1 A 15 15 ALA HA H 14 4.979 4.924 0.055 1
1 141 . 7 1 1 A 15 15 ALA CA C 14 50.832 51.689 -0.857 1
1 142 . 7 1 1 A 15 15 ALA CB C 14 23.479 23.024 0.455 1
1 143 . 7 1 1 A 15 15 ALA N N 14 124.927 124.848 0.079 1
1 144 . 7 1 1 A 16 16 SER H H 15 9.006 8.704 0.302 1
1 145 . 7 1 1 A 16 16 SER HA H 15 5.044 5.198 -0.154 1
1 148 . 7 1 1 A 16 16 SER CA C 15 57.379 56.547 0.832 1
1 149 . 7 1 1 A 16 16 SER CB C 15 64.811 64.423 0.388 1
1 150 . 7 1 1 A 16 16 SER N N 15 115.217 117.290 -2.073 1
1 151 . 7 1 1 A 17 17 LEU H H 16 9.299 8.844 0.455 1
1 152 . 7 1 1 A 17 17 LEU HA H 16 5.350 4.824 0.526 1
1 162 . 7 1 1 A 17 17 LEU CA C 16 54.150 55.413 -1.263 1
1 163 . 7 1 1 A 17 17 LEU CB C 16 45.483 42.479 3.004 1
1 167 . 7 1 1 A 17 17 LEU N N 16 125.526 126.638 -1.112 1
1 168 . 7 1 1 A 18 18 SER H H 17 9.032 8.900 0.132 1
1 169 . 7 1 1 A 18 18 SER HA H 17 5.707 5.315 0.392 1
1 172 . 7 1 1 A 18 18 SER CA C 17 56.078 57.458 -1.380 1
1 173 . 7 1 1 A 18 18 SER CB C 17 66.504 66.075 0.429 1
1 174 . 7 1 1 A 18 18 SER N N 17 118.219 119.967 -1.748 1
1 175 . 7 1 1 A 19 19 THR H H 18 9.122 8.857 0.265 1
1 176 . 7 1 1 A 19 19 THR HA H 18 4.651 4.213 0.438 1
1 182 . 7 1 1 A 19 19 THR CA C 18 60.871 61.267 -0.396 1
1 183 . 7 1 1 A 19 19 THR CB C 18 71.214 70.442 0.772 1
1 185 . 7 1 1 A 19 19 THR N N 18 110.542 117.533 -6.991 1
1 186 . 7 1 1 A 20 20 TYR H H 19 7.890 8.608 -0.718 1
1 187 . 7 1 1 A 20 20 TYR HA H 19 3.895 4.119 -0.224 1
1 194 . 7 1 1 A 20 20 TYR CA C 19 61.228 60.595 0.633 1
1 195 . 7 1 1 A 20 20 TYR CB C 19 39.123 38.921 0.202 1
1 200 . 7 1 1 A 20 20 TYR N N 19 119.460 123.197 -3.737 1
1 201 . 7 1 1 A 21 21 ASN H H 20 7.312 7.871 -0.559 1
1 202 . 7 1 1 A 21 21 ASN HA H 20 4.663 4.771 -0.108 1
1 205 . 7 1 1 A 21 21 ASN CA C 20 52.035 53.005 -0.970 1
1 206 . 7 1 1 A 21 21 ASN CB C 20 37.228 38.477 -1.249 1
1 207 . 7 1 1 A 21 21 ASN N N 20 112.235 115.718 -3.483 1
1 208 . 7 1 1 A 22 22 ASP H H 21 7.919 7.740 0.179 1
1 209 . 7 1 1 A 22 22 ASP HA H 21 4.210 4.117 0.093 1
1 212 . 7 1 1 A 22 22 ASP CA C 21 56.289 55.438 0.851 1
1 213 . 7 1 1 A 22 22 ASP CB C 21 38.389 38.761 -0.372 1
1 214 . 7 1 1 A 22 22 ASP N N 21 113.136 116.132 -2.996 1
1 215 . 7 1 1 A 23 23 GLN H H 22 7.621 7.055 0.566 1
1 216 . 7 1 1 A 23 23 GLN HA H 22 4.576 4.741 -0.165 1
1 221 . 7 1 1 A 23 23 GLN CA C 22 55.474 54.789 0.685 1
1 222 . 7 1 1 A 23 23 GLN CB C 22 29.609 31.203 -1.594 1
1 224 . 7 1 1 A 23 23 GLN N N 22 115.930 117.107 -1.177 1
1 225 . 7 1 1 A 24 24 SER H H 23 8.847 8.631 0.216 1
1 226 . 7 1 1 A 24 24 SER HA H 23 4.699 4.791 -0.092 1
1 229 . 7 1 1 A 24 24 SER CA C 23 59.518 58.498 1.020 1
1 230 . 7 1 1 A 24 24 SER CB C 23 64.710 63.807 0.903 1
1 231 . 7 1 1 A 24 24 SER N N 23 118.760 119.282 -0.522 1
1 232 . 7 1 1 A 25 25 ILE H H 24 7.851 8.617 -0.766 1
1 233 . 7 1 1 A 25 25 ILE HA H 24 4.685 4.370 0.315 1
1 243 . 7 1 1 A 25 25 ILE CA C 24 59.480 61.501 -2.021 1
1 244 . 7 1 1 A 25 25 ILE CB C 24 36.204 37.974 -1.770 1
1 248 . 7 1 1 A 25 25 ILE N N 24 122.951 125.356 -2.405 1
1 249 . 7 1 1 A 26 26 THR H H 25 8.865 8.982 -0.117 1
1 250 . 7 1 1 A 26 26 THR HA H 25 4.615 4.750 -0.135 1
1 255 . 7 1 1 A 26 26 THR CA C 25 59.720 61.613 -1.893 1
1 256 . 7 1 1 A 26 26 THR CB C 25 70.755 69.672 1.083 1
1 258 . 7 1 1 A 26 26 THR N N 25 123.404 124.210 -0.806 1
1 259 . 7 1 1 A 27 27 PHE H H 26 8.614 9.285 -0.671 1
1 260 . 7 1 1 A 27 27 PHE HA H 26 4.986 4.865 0.121 1
1 268 . 7 1 1 A 27 27 PHE CA C 26 55.673 56.847 -1.174 1
1 269 . 7 1 1 A 27 27 PHE CB C 26 40.422 38.119 2.303 1
1 275 . 7 1 1 A 27 27 PHE N N 26 120.710 126.436 -5.726 1
1 276 . 7 1 1 A 28 28 ALA H H 27 8.989 8.633 0.356 1
1 277 . 7 1 1 A 28 28 ALA HA H 27 4.719 4.567 0.152 1
1 281 . 7 1 1 A 28 28 ALA CA C 27 51.105 51.233 -0.128 1
1 282 . 7 1 1 A 28 28 ALA CB C 27 20.169 18.961 1.208 1
1 283 . 7 1 1 A 28 28 ALA N N 27 127.571 128.553 -0.982 1
1 284 . 7 1 1 A 29 29 LEU H H 28 8.302 8.300 0.002 1
1 285 . 7 1 1 A 29 29 LEU HA H 28 4.388 5.086 -0.698 1
1 295 . 7 1 1 A 29 29 LEU CA C 28 54.689 52.612 2.077 1
1 296 . 7 1 1 A 29 29 LEU CB C 28 42.072 45.194 -3.122 1
1 300 . 7 1 1 A 29 29 LEU N N 28 123.967 118.761 5.206 1
1 301 . 7 1 1 A 30 30 GLU H H 29 8.426 8.736 -0.310 1
1 302 . 7 1 1 A 30 30 GLU HA H 29 4.383 4.519 -0.136 1
1 306 . 7 1 1 A 30 30 GLU CA C 29 55.674 54.803 0.871 1
1 307 . 7 1 1 A 30 30 GLU CB C 29 30.616 31.492 -0.876 1
1 309 . 7 1 1 A 30 30 GLU N N 29 123.800 120.236 3.564 1
1 310 . 7 1 1 A 31 31 ASP H H 30 8.504 8.632 -0.128 1
1 311 . 7 1 1 A 31 31 ASP HA H 30 4.359 4.176 0.183 1
1 314 . 7 1 1 A 31 31 ASP CA C 30 55.650 56.516 -0.866 1
1 315 . 7 1 1 A 31 31 ASP CB C 30 39.912 40.465 -0.553 1
1 316 . 7 1 1 A 31 31 ASP N N 30 121.263 121.251 0.012 1
1 317 . 7 1 1 A 32 32 GLU H H 31 8.235 7.781 0.454 1
1 318 . 7 1 1 A 32 32 GLU HA H 31 4.039 4.449 -0.410 1
1 323 . 7 1 1 A 32 32 GLU CA C 31 56.572 56.171 0.401 1
1 324 . 7 1 1 A 32 32 GLU CB C 31 29.099 31.924 -2.825 1
1 326 . 7 1 1 A 32 32 GLU N N 31 115.284 114.237 1.047 1
1 327 . 7 1 1 A 33 33 SER H H 32 7.854 7.386 0.468 1
1 328 . 7 1 1 A 33 33 SER HA H 32 4.556 4.343 0.213 1
1 330 . 7 1 1 A 33 33 SER CA C 32 57.848 58.066 -0.218 1
1 331 . 7 1 1 A 33 33 SER CB C 32 64.080 64.290 -0.210 1
1 332 . 7 1 1 A 33 33 SER N N 32 114.403 116.500 -2.097 1
1 333 . 7 1 1 A 34 34 TYR H H 33 8.117 9.027 -0.910 1
1 334 . 7 1 1 A 34 34 TYR HA H 33 4.995 5.047 -0.052 1
1 341 . 7 1 1 A 34 34 TYR CA C 33 56.928 56.623 0.305 1
1 342 . 7 1 1 A 34 34 TYR CB C 33 39.116 40.476 -1.360 1
1 347 . 7 1 1 A 34 34 TYR N N 33 119.987 124.252 -4.265 1
1 348 . 7 1 1 A 35 35 GLU H H 34 8.466 8.785 -0.319 1
1 349 . 7 1 1 A 35 35 GLU HA H 34 4.574 5.072 -0.498 1
1 352 . 7 1 1 A 35 35 GLU CA C 34 55.417 55.007 0.410 1
1 353 . 7 1 1 A 35 35 GLU CB C 34 33.071 33.166 -0.095 1
1 355 . 7 1 1 A 35 35 GLU N N 34 120.614 123.821 -3.207 1
1 356 . 7 1 1 A 36 36 ILE H H 35 8.485 8.735 -0.250 1
1 357 . 7 1 1 A 36 36 ILE HA H 35 4.713 4.800 -0.087 1
1 367 . 7 1 1 A 36 36 ILE CA C 35 60.138 59.994 0.144 1
1 368 . 7 1 1 A 36 36 ILE CB C 35 39.383 39.892 -0.509 1
1 372 . 7 1 1 A 36 36 ILE N N 35 121.673 124.142 -2.469 1
1 373 . 7 1 1 A 37 37 TYR H H 36 8.725 8.856 -0.131 1
1 374 . 7 1 1 A 37 37 TYR HA H 36 5.148 5.148 0.000 1
1 380 . 7 1 1 A 37 37 TYR CA C 36 55.698 56.678 -0.980 1
1 381 . 7 1 1 A 37 37 TYR CB C 36 40.866 42.696 -1.830 1
1 386 . 7 1 1 A 37 37 TYR N N 36 125.169 124.289 0.880 1
1 387 . 7 1 1 A 38 38 VAL H H 37 7.859 8.660 -0.801 1
1 388 . 7 1 1 A 38 38 VAL HA H 37 4.636 4.601 0.035 1
1 396 . 7 1 1 A 38 38 VAL CA C 37 60.937 61.655 -0.718 1
1 397 . 7 1 1 A 38 38 VAL CB C 37 32.382 32.545 -0.163 1
1 400 . 7 1 1 A 38 38 VAL N N 37 120.727 123.961 -3.234 1
1 401 . 7 1 1 A 39 39 GLU H H 38 8.885 8.901 -0.016 1
1 402 . 7 1 1 A 39 39 GLU HA H 38 4.690 4.858 -0.168 1
1 407 . 7 1 1 A 39 39 GLU CA C 38 55.174 54.614 0.560 1
1 408 . 7 1 1 A 39 39 GLU CB C 38 33.421 32.599 0.822 1
1 410 . 7 1 1 A 39 39 GLU N N 38 124.823 127.112 -2.289 1
1 411 . 7 1 1 A 40 40 ASP H H 39 8.646 8.783 -0.137 1
1 412 . 7 1 1 A 40 40 ASP HA H 39 4.721 5.127 -0.406 1
1 415 . 7 1 1 A 40 40 ASP CA C 39 54.340 53.063 1.277 1
1 416 . 7 1 1 A 40 40 ASP CB C 39 40.839 43.485 -2.646 1
1 417 . 7 1 1 A 40 40 ASP N N 39 122.400 123.323 -0.923 1
1 418 . 7 1 1 A 41 41 LEU H H 40 8.133 8.880 -0.747 1
1 419 . 7 1 1 A 41 41 LEU HA H 40 4.430 4.307 0.123 1
1 429 . 7 1 1 A 41 41 LEU CA C 40 54.553 55.145 -0.592 1
1 430 . 7 1 1 A 41 41 LEU CB C 40 42.942 41.630 1.312 1
1 434 . 7 1 1 A 41 41 LEU N N 40 122.394 127.194 -4.800 1
1 435 . 7 1 1 A 42 42 LYS H H 41 8.659 9.026 -0.367 1
1 436 . 7 1 1 A 42 42 LYS HA H 41 4.357 4.334 0.023 1
1 442 . 7 1 1 A 42 42 LYS CA C 41 55.924 57.966 -2.042 1
1 443 . 7 1 1 A 42 42 LYS CB C 41 32.421 32.660 -0.239 1
1 447 . 7 1 1 A 42 42 LYS N N 41 122.920 124.707 -1.787 1
1 448 . 7 1 1 A 43 43 LYS H H 42 8.371 8.074 0.297 1
1 449 . 7 1 1 A 43 43 LYS HA H 42 4.223 4.414 -0.191 1
1 455 . 7 1 1 A 43 43 LYS CA C 42 56.924 57.423 -0.499 1
1 456 . 7 1 1 A 43 43 LYS CB C 42 32.671 34.099 -1.428 1
1 460 . 7 1 1 A 43 43 LYS N N 42 121.924 115.278 6.646 1
1 461 . 7 1 1 A 44 44 ASP H H 43 8.355 8.160 0.195 1
1 462 . 7 1 1 A 44 44 ASP HA H 43 4.556 4.889 -0.333 1
1 464 . 7 1 1 A 44 44 ASP CA C 43 54.243 53.005 1.238 1
1 465 . 7 1 1 A 44 44 ASP CB C 43 40.582 40.779 -0.197 1
1 466 . 7 1 1 A 44 44 ASP N N 43 118.485 116.681 1.804 1
1 467 . 7 1 1 A 45 45 GLU H H 44 8.011 8.903 -0.892 1
1 468 . 7 1 1 A 45 45 GLU HA H 44 4.313 4.888 -0.575 1
1 473 . 7 1 1 A 45 45 GLU CA C 44 56.362 54.858 1.504 1
1 474 . 7 1 1 A 45 45 GLU CB C 44 30.265 31.212 -0.947 1
1 476 . 7 1 1 A 45 45 GLU N N 44 119.516 125.206 -5.690 1
1 477 . 7 1 1 A 46 46 LYS H H 45 8.304 8.622 -0.318 1
1 478 . 7 1 1 A 46 46 LYS HA H 45 4.307 4.356 -0.049 1
1 485 . 7 1 1 A 46 46 LYS CA C 45 56.424 57.385 -0.961 1
1 486 . 7 1 1 A 46 46 LYS CB C 45 32.421 33.365 -0.944 1
1 490 . 7 1 1 A 46 46 LYS N N 45 121.875 124.877 -3.002 1
1 491 . 7 1 1 A 47 47 LYS H H 46 8.280 8.694 -0.414 1
1 492 . 7 1 1 A 47 47 LYS HA H 46 4.469 4.890 -0.421 1
1 498 . 7 1 1 A 47 47 LYS CA C 46 55.514 54.172 1.342 1
1 499 . 7 1 1 A 47 47 LYS CB C 46 33.264 35.952 -2.688 1
1 503 . 7 1 1 A 47 47 LYS N N 46 122.374 121.501 0.873 1
1 504 . 7 1 1 A 48 48 ASP H H 47 8.778 8.760 0.018 1
1 505 . 7 1 1 A 48 48 ASP HA H 47 4.811 5.157 -0.346 1
1 507 . 7 1 1 A 48 48 ASP CA C 47 54.357 53.286 1.071 1
1 508 . 7 1 1 A 48 48 ASP CB C 47 41.842 43.106 -1.264 1
1 509 . 7 1 1 A 48 48 ASP N N 47 122.211 121.153 1.058 1
1 510 . 7 1 1 A 49 49 LYS H H 48 8.388 8.557 -0.169 1
1 511 . 7 1 1 A 49 49 LYS HA H 48 4.593 4.980 -0.387 1
1 519 . 7 1 1 A 49 49 LYS CA C 48 55.134 54.974 0.160 1
1 520 . 7 1 1 A 49 49 LYS CB C 48 34.993 34.792 0.201 1
1 524 . 7 1 1 A 49 49 LYS N N 48 120.889 121.996 -1.107 1
1 525 . 7 1 1 A 50 50 VAL H H 49 9.063 8.640 0.423 1
1 526 . 7 1 1 A 50 50 VAL HA H 49 4.097 4.602 -0.505 1
1 534 . 7 1 1 A 50 50 VAL CA C 49 59.275 60.761 -1.486 1
1 535 . 7 1 1 A 50 50 VAL CB C 49 33.958 34.900 -0.942 1
1 538 . 7 1 1 A 50 50 VAL N N 49 118.350 120.726 -2.376 1
1 539 . 7 1 1 A 51 51 LEU H H 50 8.238 8.786 -0.548 1
1 540 . 7 1 1 A 51 51 LEU HA H 50 4.561 4.576 -0.015 1
1 550 . 7 1 1 A 51 51 LEU CA C 50 54.877 54.658 0.219 1
1 551 . 7 1 1 A 51 51 LEU CB C 50 42.481 42.620 -0.139 1
1 555 . 7 1 1 A 51 51 LEU N N 50 125.236 130.598 -5.362 1
1 556 . 7 1 1 A 52 52 LEU H H 51 9.286 8.899 0.387 1
1 557 . 7 1 1 A 52 52 LEU HA H 51 5.190 5.581 -0.391 1
1 567 . 7 1 1 A 52 52 LEU CA C 51 54.228 53.401 0.827 1
1 568 . 7 1 1 A 52 52 LEU CB C 51 42.961 44.116 -1.155 1
1 572 . 7 1 1 A 52 52 LEU N N 51 134.513 130.583 3.930 1
1 573 . 7 1 1 A 53 53 SER H H 52 7.992 8.777 -0.785 1
1 574 . 7 1 1 A 53 53 SER HA H 52 5.233 5.710 -0.477 1
1 577 . 7 1 1 A 53 53 SER CA C 52 56.869 56.474 0.395 1
1 578 . 7 1 1 A 53 53 SER CB C 52 62.776 65.265 -2.489 1
1 579 . 7 1 1 A 53 53 SER N N 52 117.641 119.227 -1.586 1
1 580 . 7 1 1 A 54 54 TYR H H 53 8.703 9.113 -0.410 1
1 581 . 7 1 1 A 54 54 TYR HA H 53 5.611 5.516 0.095 1
1 588 . 7 1 1 A 54 54 TYR CA C 53 56.264 57.770 -1.506 1
1 589 . 7 1 1 A 54 54 TYR CB C 53 40.455 41.249 -0.794 1
1 594 . 7 1 1 A 54 54 TYR N N 53 122.503 126.517 -4.014 1
1 595 . 7 1 1 A 55 55 TYR H H 54 9.813 9.237 0.576 1
1 596 . 7 1 1 A 55 55 TYR HA H 54 4.983 5.091 -0.108 1
1 603 . 7 1 1 A 55 55 TYR CA C 54 56.465 56.344 0.121 1
1 604 . 7 1 1 A 55 55 TYR CB C 54 41.898 42.756 -0.858 1
1 609 . 7 1 1 A 55 55 TYR N N 54 120.204 120.090 0.114 1
1 610 . 7 1 1 A 56 56 GLU H H 55 8.804 8.860 -0.056 1
1 611 . 7 1 1 A 56 56 GLU HA H 55 4.913 5.204 -0.291 1
1 616 . 7 1 1 A 56 56 GLU CA C 55 55.700 55.425 0.275 1
1 617 . 7 1 1 A 56 56 GLU CB C 55 31.684 32.401 -0.717 1
1 619 . 7 1 1 A 56 56 GLU N N 55 120.472 122.123 -1.651 1
1 620 . 7 1 1 A 57 57 SER H H 56 8.580 8.774 -0.194 1
1 621 . 7 1 1 A 57 57 SER HA H 56 4.619 4.882 -0.263 1
1 624 . 7 1 1 A 57 57 SER CA C 56 57.332 56.553 0.779 1
1 625 . 7 1 1 A 57 57 SER CB C 56 64.338 64.327 0.011 1
1 626 . 7 1 1 A 57 57 SER N N 56 117.342 118.827 -1.485 1
1 627 . 7 1 1 A 58 58 GLN H H 57 8.426 8.908 -0.482 1
1 628 . 7 1 1 A 58 58 GLN HA H 57 4.482 5.067 -0.585 1
1 632 . 7 1 1 A 58 58 GLN CA C 57 55.364 53.846 1.518 1
1 633 . 7 1 1 A 58 58 GLN CB C 57 29.603 32.003 -2.400 1
1 635 . 7 1 1 A 58 58 GLN N N 57 121.444 124.175 -2.731 1
1 636 . 7 1 1 A 59 59 HIS H H 58 8.481 8.929 -0.448 1
1 637 . 7 1 1 A 59 59 HIS HA H 58 4.862 4.782 0.080 1
1 641 . 7 1 1 A 59 59 HIS CA C 58 54.055 54.589 -0.534 1
1 642 . 7 1 1 A 59 59 HIS CB C 58 30.237 30.218 0.019 1
1 643 . 7 1 1 A 59 59 HIS N N 58 122.199 121.765 0.434 1
1 644 . 7 1 1 A 60 60 PRO HA H 59 4.506 4.390 0.116 1
1 650 . 7 1 1 A 60 60 PRO CA C 59 63.254 63.931 -0.677 1
1 651 . 7 1 1 A 60 60 PRO CB C 59 31.829 32.245 -0.416 1
1 654 . 7 1 1 A 62 62 ASN H H 61 8.465 8.886 -0.421 1
1 655 . 7 1 1 A 62 62 ASN HA H 61 4.769 4.716 0.053 1
1 657 . 7 1 1 A 62 62 ASN CA C 61 53.310 53.199 0.111 1
1 658 . 7 1 1 A 62 62 ASN CB C 61 38.545 37.611 0.934 1
1 659 . 7 1 1 A 62 62 ASN N N 61 120.049 119.639 0.410 1
1 660 . 7 1 1 A 63 63 GLU H H 62 8.369 7.559 0.810 1
1 661 . 7 1 1 A 63 63 GLU HA H 62 4.348 4.923 -0.575 1
1 666 . 7 1 1 A 63 63 GLU CA C 62 56.828 55.118 1.710 1
1 667 . 7 1 1 A 63 63 GLU CB C 62 30.044 32.970 -2.926 1
1 669 . 7 1 1 A 63 63 GLU N N 62 120.260 120.171 0.089 1
1 670 . 7 1 1 A 64 64 SER H H 63 8.254 8.735 -0.481 1
1 671 . 7 1 1 A 64 64 SER HA H 63 4.494 4.698 -0.204 1
1 674 . 7 1 1 A 64 64 SER CA C 63 58.213 58.022 0.191 1
1 675 . 7 1 1 A 64 64 SER CB C 63 63.799 65.227 -1.428 1
1 676 . 7 1 1 A 64 64 SER N N 63 115.291 122.964 -7.673 1
1 677 . 7 1 1 A 65 65 GLY H H 64 8.294 7.758 0.536 1
1 678 . 7 1 1 A 65 65 GLY HA2 H 64 4.001 4.045 -0.044 1
1 679 . 7 1 1 A 65 65 GLY CA C 64 45.306 45.139 0.167 1
1 680 . 7 1 1 A 65 65 GLY N N 64 110.364 109.026 1.338 1
1 681 . 7 1 1 A 66 66 ASP H H 65 8.227 8.259 -0.032 1
1 682 . 7 1 1 A 66 66 ASP HA H 65 4.664 4.309 0.355 1
1 684 . 7 1 1 A 66 66 ASP CA C 65 54.180 54.863 -0.683 1
1 685 . 7 1 1 A 66 66 ASP CB C 65 41.160 39.418 1.742 1
1 686 . 7 1 1 A 66 66 ASP N N 65 119.894 118.776 1.118 1
1 687 . 7 1 1 A 67 67 GLY H H 66 8.379 8.260 0.119 1
1 688 . 7 1 1 A 67 67 GLY HA2 H 66 3.997 4.251 -0.254 1
1 689 . 7 1 1 A 67 67 GLY CA C 66 45.216 45.340 -0.124 1
1 690 . 7 1 1 A 67 67 GLY N N 66 108.939 110.312 -1.373 1
1 691 . 7 1 1 A 68 68 VAL H H 67 8.008 8.504 -0.496 1
1 692 . 7 1 1 A 68 68 VAL HA H 67 4.164 4.736 -0.572 1
1 700 . 7 1 1 A 68 68 VAL CA C 67 62.133 59.822 2.311 1
1 701 . 7 1 1 A 68 68 VAL CB C 67 32.509 34.868 -2.359 1
1 704 . 7 1 1 A 68 68 VAL N N 67 118.651 116.506 2.145 1
1 705 . 7 1 1 A 69 69 ASP H H 68 8.441 9.324 -0.883 1
1 706 . 7 1 1 A 69 69 ASP HA H 68 4.664 4.235 0.429 1
1 709 . 7 1 1 A 69 69 ASP CA C 68 54.211 54.927 -0.716 1
1 710 . 7 1 1 A 69 69 ASP CB C 68 40.995 39.653 1.342 1
1 711 . 7 1 1 A 69 69 ASP N N 68 122.953 122.484 0.469 1
1 712 . 7 1 1 A 70 70 GLY H H 69 8.231 8.183 0.048 1
1 713 . 7 1 1 A 70 70 GLY HA2 H 69 3.980 4.120 -0.140 1
1 714 . 7 1 1 A 70 70 GLY CA C 69 45.347 45.656 -0.309 1
1 715 . 7 1 1 A 70 70 GLY N N 69 108.501 109.740 -1.239 1
1 716 . 7 1 1 A 71 71 LYS H H 70 8.097 7.701 0.396 1
1 717 . 7 1 1 A 71 71 LYS HA H 70 4.552 4.339 0.213 1
1 725 . 7 1 1 A 71 71 LYS CA C 70 55.514 56.235 -0.721 1
1 726 . 7 1 1 A 71 71 LYS CB C 70 33.267 33.476 -0.209 1
1 730 . 7 1 1 A 71 71 LYS N N 70 120.089 120.016 0.073 1
1 731 . 7 1 1 A 72 72 MET H H 71 8.485 8.525 -0.040 1
1 732 . 7 1 1 A 72 72 MET HA H 71 4.622 4.499 0.123 1
1 740 . 7 1 1 A 72 72 MET CA C 71 54.810 55.129 -0.319 1
1 741 . 7 1 1 A 72 72 MET CB C 71 34.060 33.125 0.935 1
1 744 . 7 1 1 A 72 72 MET N N 71 121.815 121.680 0.135 1
1 745 . 7 1 1 A 73 73 LEU H H 72 8.792 8.878 -0.086 1
1 746 . 7 1 1 A 73 73 LEU HA H 72 5.140 4.978 0.162 1
1 756 . 7 1 1 A 73 73 LEU CA C 72 53.671 53.898 -0.227 1
1 757 . 7 1 1 A 73 73 LEU CB C 72 44.258 43.145 1.113 1
1 761 . 7 1 1 A 73 73 LEU N N 72 124.871 125.164 -0.293 1
1 762 . 7 1 1 A 74 74 MET H H 73 9.089 8.786 0.303 1
1 763 . 7 1 1 A 74 74 MET HA H 73 5.741 5.141 0.600 1
1 770 . 7 1 1 A 74 74 MET CA C 73 53.328 55.046 -1.718 1
1 771 . 7 1 1 A 74 74 MET CB C 73 36.526 34.272 2.254 1
1 774 . 7 1 1 A 74 74 MET N N 73 119.200 123.373 -4.173 1
1 775 . 7 1 1 A 75 75 VAL H H 74 10.046 8.890 1.156 1
1 776 . 7 1 1 A 75 75 VAL HA H 74 6.298 5.008 1.290 1
1 784 . 7 1 1 A 75 75 VAL CA C 74 58.377 60.195 -1.818 1
1 785 . 7 1 1 A 75 75 VAL CB C 74 36.528 35.565 0.963 1
1 788 . 7 1 1 A 75 75 VAL N N 74 116.505 120.272 -3.767 1
1 789 . 7 1 1 A 76 76 THR H H 75 8.519 9.136 -0.617 1
1 790 . 7 1 1 A 76 76 THR HA H 75 4.978 5.429 -0.451 1
1 795 . 7 1 1 A 76 76 THR CA C 75 59.451 60.285 -0.834 1
1 796 . 7 1 1 A 76 76 THR CB C 75 71.755 71.400 0.355 1
1 798 . 7 1 1 A 76 76 THR N N 75 111.166 118.233 -7.067 1
1 799 . 7 1 1 A 77 77 LEU H H 76 10.195 9.282 0.913 1
1 800 . 7 1 1 A 77 77 LEU HA H 76 5.175 5.112 0.063 1
1 810 . 7 1 1 A 77 77 LEU CA C 76 55.214 53.448 1.766 1
1 811 . 7 1 1 A 77 77 LEU CB C 76 45.718 43.596 2.122 1
1 815 . 7 1 1 A 77 77 LEU N N 76 121.235 126.902 -5.667 1
1 816 . 7 1 1 A 78 78 SER H H 77 8.596 8.747 -0.151 1
1 817 . 7 1 1 A 78 78 SER HA H 77 5.427 4.768 0.659 1
1 821 . 7 1 1 A 78 78 SER CA C 77 52.060 55.652 -3.592 1
1 822 . 7 1 1 A 78 78 SER CB C 77 63.768 63.869 -0.101 1
1 823 . 7 1 1 A 78 78 SER N N 77 116.108 118.378 -2.270 1
1 824 . 7 1 1 A 79 79 PRO HA H 78 4.257 4.298 -0.041 1
1 831 . 7 1 1 A 79 79 PRO CA C 78 62.972 63.772 -0.800 1
1 832 . 7 1 1 A 79 79 PRO CB C 78 31.667 31.311 0.356 1
1 835 . 7 1 1 A 80 80 THR H H 79 6.796 7.165 -0.369 1
1 836 . 7 1 1 A 80 80 THR HA H 79 4.204 4.630 -0.426 1
1 842 . 7 1 1 A 80 80 THR CA C 79 60.016 59.907 0.109 1
1 843 . 7 1 1 A 80 80 THR CB C 79 68.509 71.206 -2.697 1
1 845 . 7 1 1 A 80 80 THR N N 79 110.183 107.694 2.489 1
1 846 . 7 1 1 A 81 81 LYS H H 80 7.638 8.665 -1.027 1
1 847 . 7 1 1 A 81 81 LYS HA H 80 3.744 4.073 -0.329 1
1 853 . 7 1 1 A 81 81 LYS CA C 80 58.578 58.805 -0.227 1
1 854 . 7 1 1 A 81 81 LYS CB C 80 32.325 32.073 0.252 1
1 858 . 7 1 1 A 81 81 LYS N N 80 124.973 120.031 4.942 1
1 859 . 7 1 1 A 82 82 ASP H H 81 8.255 7.634 0.621 1
1 860 . 7 1 1 A 82 82 ASP HA H 81 4.277 3.999 0.278 1
1 863 . 7 1 1 A 82 82 ASP CA C 81 57.378 55.457 1.921 1
1 864 . 7 1 1 A 82 82 ASP CB C 81 39.348 41.208 -1.860 1
1 865 . 7 1 1 A 82 82 ASP N N 81 117.344 116.698 0.646 1
1 866 . 7 1 1 A 83 83 PHE H H 82 7.880 7.225 0.655 1
1 867 . 7 1 1 A 83 83 PHE HA H 82 5.243 4.387 0.856 1
1 875 . 7 1 1 A 83 83 PHE CA C 82 56.927 59.569 -2.642 1
1 876 . 7 1 1 A 83 83 PHE CB C 82 41.679 39.670 2.009 1
1 881 . 7 1 1 A 83 83 PHE N N 82 115.687 118.093 -2.406 1
1 882 . 7 1 1 A 84 84 TRP H H 83 8.718 9.112 -0.394 1
1 883 . 7 1 1 A 84 84 TRP HA H 83 5.445 5.117 0.328 1
1 892 . 7 1 1 A 84 84 TRP CA C 83 57.105 56.270 0.835 1
1 893 . 7 1 1 A 84 84 TRP CB C 83 33.602 32.863 0.739 1
1 898 . 7 1 1 A 84 84 TRP N N 83 119.999 123.654 -3.655 1
1 900 . 7 1 1 A 85 85 LEU H H 84 8.738 8.209 0.529 1
1 901 . 7 1 1 A 85 85 LEU HA H 84 4.802 4.808 -0.006 1
1 911 . 7 1 1 A 85 85 LEU CA C 84 56.224 54.788 1.436 1
1 912 . 7 1 1 A 85 85 LEU CB C 84 42.532 42.975 -0.443 1
1 916 . 7 1 1 A 85 85 LEU N N 84 123.889 123.062 0.827 1
1 917 . 7 1 1 A 86 86 HIS H H 85 9.563 9.233 0.330 1
1 918 . 7 1 1 A 86 86 HIS HA H 85 5.027 5.145 -0.118 1
1 923 . 7 1 1 A 86 86 HIS CA C 85 54.704 54.505 0.199 1
1 924 . 7 1 1 A 86 86 HIS CB C 85 33.214 32.883 0.331 1
1 926 . 7 1 1 A 86 86 HIS N N 85 121.782 121.070 0.712 1
1 927 . 7 1 1 A 87 87 ALA H H 86 8.544 9.019 -0.475 1
1 928 . 7 1 1 A 87 87 ALA HA H 86 4.614 4.775 -0.161 1
1 932 . 7 1 1 A 87 87 ALA CA C 86 52.098 51.657 0.441 1
1 933 . 7 1 1 A 87 87 ALA CB C 86 20.690 19.887 0.803 1
1 934 . 7 1 1 A 87 87 ALA N N 86 125.230 127.163 -1.933 1
1 935 . 7 1 1 A 88 88 ASN H H 87 8.846 8.766 0.080 1
1 936 . 7 1 1 A 88 88 ASN HA H 87 4.862 5.314 -0.452 1
1 939 . 7 1 1 A 88 88 ASN CA C 87 51.444 51.895 -0.451 1
1 940 . 7 1 1 A 88 88 ASN CB C 87 37.171 41.207 -4.036 1
1 941 . 7 1 1 A 88 88 ASN N N 87 121.260 120.738 0.522 1
1 942 . 7 1 1 A 89 89 ASN H H 88 8.638 9.212 -0.574 1
1 943 . 7 1 1 A 89 89 ASN HA H 88 4.284 4.512 -0.228 1
1 946 . 7 1 1 A 89 89 ASN CA C 88 55.788 53.677 2.111 1
1 947 . 7 1 1 A 89 89 ASN CB C 88 37.818 37.227 0.591 1
1 948 . 7 1 1 A 89 89 ASN N N 88 121.570 122.357 -0.787 1
1 949 . 7 1 1 A 90 90 LYS H H 89 8.196 7.919 0.277 1
1 950 . 7 1 1 A 90 90 LYS HA H 89 4.101 3.981 0.120 1
1 957 . 7 1 1 A 90 90 LYS CA C 89 58.402 58.995 -0.593 1
1 958 . 7 1 1 A 90 90 LYS CB C 89 32.018 33.375 -1.357 1
1 962 . 7 1 1 A 90 90 LYS N N 89 119.566 120.502 -0.936 1
1 963 . 7 1 1 A 91 91 GLU H H 90 6.917 7.772 -0.855 1
1 964 . 7 1 1 A 91 91 GLU HA H 90 4.378 4.544 -0.166 1
1 969 . 7 1 1 A 91 91 GLU CA C 90 54.864 55.634 -0.770 1
1 970 . 7 1 1 A 91 91 GLU CB C 90 29.597 30.022 -0.425 1
1 972 . 7 1 1 A 91 91 GLU N N 90 114.145 115.106 -0.961 1
1 973 . 7 1 1 A 92 92 HIS H H 91 7.738 7.456 0.282 1
1 974 . 7 1 1 A 92 92 HIS HA H 91 4.181 4.216 -0.035 1
1 978 . 7 1 1 A 92 92 HIS CA C 91 57.189 56.755 0.434 1
1 979 . 7 1 1 A 92 92 HIS CB C 91 26.154 26.639 -0.485 1
1 980 . 7 1 1 A 92 92 HIS N N 91 115.238 115.948 -0.710 1
1 981 . 7 1 1 A 93 93 SER H H 92 8.415 7.248 1.167 1
1 982 . 7 1 1 A 93 93 SER HA H 92 5.185 5.126 0.059 1
1 985 . 7 1 1 A 93 93 SER CA C 92 56.374 57.599 -1.225 1
1 986 . 7 1 1 A 93 93 SER CB C 92 67.005 66.988 0.017 1
1 987 . 7 1 1 A 93 93 SER N N 92 113.966 113.643 0.323 1
1 988 . 7 1 1 A 94 94 VAL H H 93 8.251 9.052 -0.801 1
1 989 . 7 1 1 A 94 94 VAL HA H 93 4.868 5.217 -0.349 1
1 997 . 7 1 1 A 94 94 VAL CA C 93 60.478 59.984 0.494 1
1 998 . 7 1 1 A 94 94 VAL CB C 93 33.120 34.240 -1.120 1
1 1001 . 7 1 1 A 94 94 VAL N N 93 116.256 122.596 -6.340 1
1 1002 . 7 1 1 A 95 95 GLU H H 94 8.904 9.033 -0.129 1
1 1003 . 7 1 1 A 95 95 GLU HA H 94 4.878 4.939 -0.061 1
1 1008 . 7 1 1 A 95 95 GLU CA C 94 53.455 54.773 -1.318 1
1 1009 . 7 1 1 A 95 95 GLU CB C 94 34.430 33.569 0.861 1
1 1011 . 7 1 1 A 95 95 GLU N N 94 122.142 127.369 -5.227 1
1 1012 . 7 1 1 A 96 96 LEU H H 95 8.237 8.127 0.110 1
1 1013 . 7 1 1 A 96 96 LEU HA H 95 4.974 5.401 -0.427 1
1 1023 . 7 1 1 A 96 96 LEU CA C 95 53.731 54.012 -0.281 1
1 1024 . 7 1 1 A 96 96 LEU CB C 95 43.478 43.313 0.165 1
1 1028 . 7 1 1 A 96 96 LEU N N 95 121.305 122.097 -0.792 1
1 1029 . 7 1 1 A 97 97 HIS H H 96 8.294 9.494 -1.200 1
1 1030 . 7 1 1 A 97 97 HIS HA H 96 4.947 5.093 -0.146 1
1 1034 . 7 1 1 A 97 97 HIS CA C 96 54.144 54.562 -0.418 1
1 1035 . 7 1 1 A 97 97 HIS CB C 96 33.344 33.664 -0.320 1
1 1036 . 7 1 1 A 97 97 HIS N N 96 119.193 121.402 -2.209 1
1 1037 . 7 1 1 A 98 98 LYS H H 97 8.582 9.103 -0.521 1
1 1038 . 7 1 1 A 98 98 LYS HA H 97 4.564 4.870 -0.306 1
1 1046 . 7 1 1 A 98 98 LYS CA C 97 55.190 55.075 0.115 1
1 1047 . 7 1 1 A 98 98 LYS CB C 97 31.941 33.915 -1.974 1
1 1051 . 7 1 1 A 98 98 LYS N N 97 127.478 123.405 4.073 1
1 1052 . 7 1 1 A 99 99 CYS H H 98 8.695 9.032 -0.337 1
1 1053 . 7 1 1 A 99 99 CYS HA H 98 4.822 5.018 -0.196 1
1 1056 . 7 1 1 A 99 99 CYS CA C 98 57.391 57.562 -0.171 1
1 1057 . 7 1 1 A 99 99 CYS CB C 98 30.916 30.550 0.366 1
1 1058 . 7 1 1 A 99 99 CYS N N 98 122.622 125.630 -3.008 1
1 1059 . 7 1 1 A 100 100 GLU H H 99 8.251 8.678 -0.427 1
1 1060 . 7 1 1 A 100 100 GLU HA H 99 4.513 4.433 0.080 1
1 1064 . 7 1 1 A 100 100 GLU CA C 99 54.674 56.071 -1.397 1
1 1065 . 7 1 1 A 100 100 GLU CB C 99 31.421 30.626 0.795 1
1 1067 . 7 1 1 A 100 100 GLU N N 99 121.252 121.939 -0.687 1
1 1068 . 7 1 1 A 101 101 LYS H H 100 8.195 8.990 -0.795 1
1 1069 . 7 1 1 A 101 101 LYS HA H 100 3.953 4.016 -0.063 1
1 1077 . 7 1 1 A 101 101 LYS CA C 100 55.042 61.362 -6.320 1
1 1078 . 7 1 1 A 101 101 LYS CB C 100 31.473 30.209 1.264 1
1 1082 . 7 1 1 A 101 101 LYS N N 100 118.588 123.726 -5.138 1
1 1083 . 7 1 1 A 102 102 PRO HA H 101 4.447 4.448 -0.001 1
1 1090 . 7 1 1 A 102 102 PRO CA C 101 61.513 62.461 -0.948 1
1 1091 . 7 1 1 A 102 102 PRO CB C 101 34.073 29.950 4.123 1
1 1094 . 7 1 1 A 103 103 LEU H H 102 8.384 7.868 0.516 1
1 1095 . 7 1 1 A 103 103 LEU HA H 102 4.175 4.237 -0.062 1
1 1105 . 7 1 1 A 103 103 LEU CA C 102 52.733 53.665 -0.932 1
1 1106 . 7 1 1 A 103 103 LEU CB C 102 41.000 41.428 -0.428 1
1 1110 . 7 1 1 A 103 103 LEU N N 102 123.679 124.470 -0.791 1
1 1111 . 7 1 1 A 104 104 PRO HA H 103 4.658 4.679 -0.021 1
1 1118 . 7 1 1 A 104 104 PRO CA C 103 61.564 62.103 -0.539 1
1 1119 . 7 1 1 A 104 104 PRO CB C 103 32.310 33.043 -0.733 1
1 1122 . 7 1 1 A 105 105 ASP H H 104 8.605 8.706 -0.101 1
1 1123 . 7 1 1 A 105 105 ASP HA H 104 4.275 4.414 -0.139 1
1 1126 . 7 1 1 A 105 105 ASP CA C 104 57.659 57.585 0.074 1
1 1127 . 7 1 1 A 105 105 ASP CB C 104 40.754 40.650 0.104 1
1 1128 . 7 1 1 A 105 105 ASP N N 104 119.037 121.711 -2.674 1
1 1129 . 7 1 1 A 106 106 GLN H H 105 8.330 7.908 0.422 1
1 1130 . 7 1 1 A 106 106 GLN HA H 105 4.189 3.979 0.210 1
1 1135 . 7 1 1 A 106 106 GLN CA C 105 58.516 58.042 0.474 1
1 1136 . 7 1 1 A 106 106 GLN CB C 105 27.206 28.604 -1.398 1
1 1138 . 7 1 1 A 106 106 GLN N N 105 113.235 118.597 -5.362 1
1 1139 . 7 1 1 A 107 107 ALA H H 106 7.763 7.329 0.434 1
1 1140 . 7 1 1 A 107 107 ALA HA H 106 4.862 3.640 1.222 1
1 1144 . 7 1 1 A 107 107 ALA CA C 106 50.856 53.664 -2.808 1
1 1145 . 7 1 1 A 107 107 ALA CB C 106 18.420 18.702 -0.282 1
1 1146 . 7 1 1 A 107 107 ALA N N 106 121.188 120.848 0.340 1
1 1147 . 7 1 1 A 108 108 PHE H H 107 7.291 7.480 -0.189 1
1 1148 . 7 1 1 A 108 108 PHE HA H 107 4.675 4.708 -0.033 1
1 1156 . 7 1 1 A 108 108 PHE CA C 107 57.225 56.205 1.020 1
1 1157 . 7 1 1 A 108 108 PHE CB C 107 41.449 39.938 1.511 1
1 1163 . 7 1 1 A 108 108 PHE N N 107 114.254 115.583 -1.329 1
1 1164 . 7 1 1 A 109 109 PHE H H 108 9.089 9.143 -0.054 1
1 1165 . 7 1 1 A 109 109 PHE HA H 108 5.216 5.005 0.211 1
1 1173 . 7 1 1 A 109 109 PHE CA C 108 55.752 56.549 -0.797 1
1 1174 . 7 1 1 A 109 109 PHE CB C 108 41.744 41.913 -0.169 1
1 1180 . 7 1 1 A 109 109 PHE N N 108 119.202 121.947 -2.745 1
1 1181 . 7 1 1 A 110 110 VAL H H 109 10.389 8.919 1.470 1
1 1182 . 7 1 1 A 110 110 VAL HA H 109 4.299 4.318 -0.019 1
1 1190 . 7 1 1 A 110 110 VAL CA C 109 62.758 63.149 -0.391 1
1 1191 . 7 1 1 A 110 110 VAL CB C 109 33.099 31.265 1.834 1
1 1194 . 7 1 1 A 110 110 VAL N N 109 125.234 124.510 0.724 1
1 1195 . 7 1 1 A 111 111 LEU H H 110 8.568 8.433 0.135 1
1 1196 . 7 1 1 A 111 111 LEU HA H 110 4.872 4.786 0.086 1
1 1206 . 7 1 1 A 111 111 LEU CA C 110 54.077 55.901 -1.824 1
1 1207 . 7 1 1 A 111 111 LEU CB C 110 43.562 42.328 1.234 1
1 1211 . 7 1 1 A 111 111 LEU N N 110 130.826 130.286 0.540 1
1 1212 . 7 1 1 A 112 112 HIS H H 111 9.070 8.939 0.131 1
1 1213 . 7 1 1 A 112 112 HIS HA H 111 4.917 5.061 -0.144 1
1 1217 . 7 1 1 A 112 112 HIS CA C 111 54.229 54.520 -0.291 1
1 1218 . 7 1 1 A 112 112 HIS CB C 111 31.745 33.388 -1.643 1
1 1219 . 7 1 1 A 112 112 HIS N N 111 124.953 125.389 -0.436 1
1 1220 . 7 1 1 A 113 113 ASN H H 112 9.018 8.967 0.051 1
1 1221 . 7 1 1 A 113 113 ASN HA H 112 4.912 4.739 0.173 1
1 1224 . 7 1 1 A 113 113 ASN CA C 112 54.151 53.587 0.564 1
1 1225 . 7 1 1 A 113 113 ASN CB C 112 38.868 38.919 -0.051 1
1 1226 . 7 1 1 A 113 113 ASN N N 112 122.645 122.211 0.434 1
1 1227 . 7 1 1 A 114 114 MET H H 113 8.314 8.315 -0.001 1
1 1228 . 7 1 1 A 114 114 MET HA H 113 4.891 4.591 0.300 1
1 1236 . 7 1 1 A 114 114 MET CA C 113 53.171 56.316 -3.145 1
1 1237 . 7 1 1 A 114 114 MET CB C 113 32.922 34.784 -1.862 1
1 1240 . 7 1 1 A 114 114 MET N N 113 123.103 123.411 -0.308 1
1 1241 . 7 1 1 A 115 115 HIS H H 114 7.453 7.559 -0.106 1
1 1242 . 7 1 1 A 115 115 HIS HA H 114 4.664 4.880 -0.216 1
1 1246 . 7 1 1 A 115 115 HIS CA C 114 55.572 54.962 0.610 1
1 1247 . 7 1 1 A 115 115 HIS CB C 114 30.856 32.906 -2.050 1
1 1248 . 7 1 1 A 115 115 HIS N N 114 115.450 116.078 -0.628 1
1 1250 . 7 1 1 A 116 116 SER CB C 115 61.131 62.953 -1.822 1
1 1251 . 7 1 1 A 117 117 ASN H H 116 8.912 7.834 1.078 1
1 1252 . 7 1 1 A 117 117 ASN HA H 116 4.556 4.965 -0.409 1
1 1255 . 7 1 1 A 117 117 ASN CA C 116 54.106 52.573 1.533 1
1 1256 . 7 1 1 A 117 117 ASN CB C 116 37.615 40.107 -2.492 1
1 1257 . 7 1 1 A 117 117 ASN N N 116 113.703 115.500 -1.797 1
1 1258 . 7 1 1 A 118 118 CYS H H 117 7.532 7.776 -0.244 1
1 1259 . 7 1 1 A 118 118 CYS HA H 117 5.316 4.889 0.427 1
1 1262 . 7 1 1 A 118 118 CYS CA C 117 58.639 58.683 -0.044 1
1 1263 . 7 1 1 A 118 118 CYS CB C 117 30.949 27.517 3.432 1
1 1264 . 7 1 1 A 118 118 CYS N N 117 115.213 117.880 -2.667 1
1 1265 . 7 1 1 A 119 119 VAL H H 118 9.617 9.059 0.558 1
1 1266 . 7 1 1 A 119 119 VAL HA H 118 5.397 5.097 0.300 1
1 1274 . 7 1 1 A 119 119 VAL CA C 118 58.788 59.163 -0.375 1
1 1275 . 7 1 1 A 119 119 VAL CB C 118 35.745 35.994 -0.249 1
1 1278 . 7 1 1 A 119 119 VAL N N 118 116.144 119.977 -3.833 1
1 1279 . 7 1 1 A 120 120 SER H H 119 8.578 8.900 -0.322 1
1 1280 . 7 1 1 A 120 120 SER HA H 119 5.089 5.383 -0.294 1
1 1283 . 7 1 1 A 120 120 SER CA C 119 57.311 55.960 1.351 1
1 1284 . 7 1 1 A 120 120 SER CB C 119 67.751 66.271 1.480 1
1 1285 . 7 1 1 A 120 120 SER N N 119 113.930 115.378 -1.448 1
1 1286 . 7 1 1 A 121 121 PHE H H 120 10.612 9.188 1.424 1
1 1287 . 7 1 1 A 121 121 PHE HA H 120 5.365 5.136 0.229 1
1 1294 . 7 1 1 A 121 121 PHE CA C 120 55.797 56.207 -0.410 1
1 1295 . 7 1 1 A 121 121 PHE CB C 120 41.542 40.228 1.314 1
1 1300 . 7 1 1 A 121 121 PHE N N 120 120.777 119.974 0.803 1
1 1301 . 7 1 1 A 122 122 GLU H H 121 9.509 9.201 0.308 1
1 1302 . 7 1 1 A 122 122 GLU HA H 121 4.537 5.111 -0.574 1
1 1307 . 7 1 1 A 122 122 GLU CA C 121 53.200 56.403 -3.203 1
1 1308 . 7 1 1 A 122 122 GLU CB C 121 32.943 30.943 2.000 1
1 1310 . 7 1 1 A 122 122 GLU N N 121 126.070 125.788 0.282 1
1 1311 . 7 1 1 A 123 123 CYS H H 122 9.405 9.107 0.298 1
1 1312 . 7 1 1 A 123 123 CYS HA H 122 4.065 4.830 -0.765 1
1 1315 . 7 1 1 A 123 123 CYS CA C 122 61.504 58.518 2.986 1
1 1316 . 7 1 1 A 123 123 CYS CB C 122 27.626 27.604 0.022 1
1 1317 . 7 1 1 A 123 123 CYS N N 122 127.122 126.019 1.103 1
1 1318 . 7 1 1 A 124 124 LYS H H 123 7.533 8.812 -1.279 1
1 1319 . 7 1 1 A 124 124 LYS HA H 123 3.831 4.023 -0.192 1
1 1326 . 7 1 1 A 124 124 LYS CA C 123 59.245 58.667 0.578 1
1 1327 . 7 1 1 A 124 124 LYS CB C 123 32.946 32.461 0.485 1
1 1331 . 7 1 1 A 124 124 LYS N N 123 125.643 127.080 -1.437 1
1 1332 . 7 1 1 A 125 125 THR H H 124 8.020 7.663 0.357 1
1 1333 . 7 1 1 A 125 125 THR HA H 124 4.216 4.308 -0.092 1
1 1338 . 7 1 1 A 125 125 THR CA C 124 61.424 62.732 -1.308 1
1 1339 . 7 1 1 A 125 125 THR CB C 124 68.505 69.442 -0.937 1
1 1341 . 7 1 1 A 125 125 THR N N 124 102.851 108.382 -5.531 1
1 1342 . 7 1 1 A 126 126 ASP H H 125 6.456 8.034 -1.578 1
1 1343 . 7 1 1 A 126 126 ASP HA H 125 5.125 5.086 0.039 1
1 1346 . 7 1 1 A 126 126 ASP CA C 125 51.060 51.234 -0.174 1
1 1347 . 7 1 1 A 126 126 ASP CB C 125 42.308 41.952 0.356 1
1 1348 . 7 1 1 A 126 126 ASP N N 125 119.891 120.766 -0.875 1
1 1349 . 7 1 1 A 127 127 PRO HA H 126 4.366 4.300 0.066 1
1 1356 . 7 1 1 A 127 127 PRO CA C 126 63.377 63.703 -0.326 1
1 1357 . 7 1 1 A 127 127 PRO CB C 126 31.816 31.339 0.477 1
1 1360 . 7 1 1 A 128 128 GLY H H 127 10.553 8.759 1.794 1
1 1361 . 7 1 1 A 128 128 GLY HA2 H 127 3.775 3.741 0.034 1
1 1362 . 7 1 1 A 128 128 GLY HA3 H 127 4.318 3.781 0.537 1
1 1363 . 7 1 1 A 128 128 GLY CA C 127 44.954 45.016 -0.062 1
1 1364 . 7 1 1 A 128 128 GLY N N 127 113.361 112.420 0.941 1
1 1365 . 7 1 1 A 129 129 VAL H H 128 7.846 7.050 0.796 1
1 1366 . 7 1 1 A 129 129 VAL HA H 128 4.794 4.088 0.706 1
1 1374 . 7 1 1 A 129 129 VAL CA C 128 61.754 59.502 2.252 1
1 1375 . 7 1 1 A 129 129 VAL CB C 128 31.449 33.860 -2.411 1
1 1378 . 7 1 1 A 129 129 VAL N N 128 121.005 121.397 -0.392 1
1 1379 . 7 1 1 A 130 130 PHE H H 129 9.293 8.975 0.318 1
1 1380 . 7 1 1 A 130 130 PHE HA H 129 5.819 5.603 0.216 1
1 1388 . 7 1 1 A 130 130 PHE CA C 129 55.600 56.381 -0.781 1
1 1389 . 7 1 1 A 130 130 PHE CB C 129 42.773 43.407 -0.634 1
1 1395 . 7 1 1 A 130 130 PHE N N 129 126.384 125.493 0.891 1
1 1396 . 7 1 1 A 131 131 ILE H H 130 8.555 8.770 -0.215 1
1 1397 . 7 1 1 A 131 131 ILE HA H 130 4.375 4.389 -0.014 1
1 1407 . 7 1 1 A 131 131 ILE CA C 130 63.278 61.829 1.449 1
1 1408 . 7 1 1 A 131 131 ILE CB C 130 37.850 37.959 -0.109 1
1 1412 . 7 1 1 A 131 131 ILE N N 130 118.433 124.266 -5.833 1
1 1413 . 7 1 1 A 132 132 GLY H H 131 9.225 8.576 0.649 1
1 1414 . 7 1 1 A 132 132 GLY HA2 H 131 3.693 4.427 -0.734 1
1 1415 . 7 1 1 A 132 132 GLY HA3 H 131 5.248 4.725 0.523 1
1 1416 . 7 1 1 A 132 132 GLY CA C 131 45.218 45.510 -0.292 1
1 1417 . 7 1 1 A 132 132 GLY N N 131 113.442 113.658 -0.216 1
1 1418 . 7 1 1 A 133 133 VAL H H 132 8.177 8.943 -0.766 1
1 1419 . 7 1 1 A 133 133 VAL HA H 132 4.710 4.517 0.193 1
1 1427 . 7 1 1 A 133 133 VAL CA C 132 61.537 62.803 -1.266 1
1 1428 . 7 1 1 A 133 133 VAL CB C 132 33.281 30.965 2.316 1
1 1431 . 7 1 1 A 133 133 VAL N N 132 118.438 121.112 -2.674 1
1 1432 . 7 1 1 A 134 134 LYS H H 133 8.752 8.488 0.264 1
1 1433 . 7 1 1 A 134 134 LYS HA H 133 4.472 3.866 0.606 1
1 1440 . 7 1 1 A 134 134 LYS CA C 133 55.257 58.883 -3.626 1
1 1441 . 7 1 1 A 134 134 LYS CB C 133 35.500 32.688 2.812 1
1 1445 . 7 1 1 A 134 134 LYS N N 133 127.706 130.454 -2.748 1
1 1446 . 7 1 1 A 135 135 ASP H H 134 9.321 7.781 1.540 1
1 1447 . 7 1 1 A 135 135 ASP HA H 134 4.230 4.537 -0.307 1
1 1450 . 7 1 1 A 135 135 ASP CA C 134 55.965 56.292 -0.327 1
1 1451 . 7 1 1 A 135 135 ASP CB C 134 39.212 41.824 -2.612 1
1 1452 . 7 1 1 A 135 135 ASP N N 134 126.815 119.222 7.593 1
1 1453 . 7 1 1 A 136 136 ASN H H 135 8.603 8.179 0.424 1
1 1454 . 7 1 1 A 136 136 ASN HA H 135 4.380 4.947 -0.567 1
1 1457 . 7 1 1 A 136 136 ASN CA C 135 54.117 53.051 1.066 1
1 1458 . 7 1 1 A 136 136 ASN CB C 135 37.384 40.231 -2.847 1
1 1459 . 7 1 1 A 136 136 ASN N N 135 113.023 115.338 -2.315 1
1 1460 . 7 1 1 A 137 137 HIS H H 136 8.112 7.472 0.640 1
1 1461 . 7 1 1 A 137 137 HIS HA H 136 5.116 5.126 -0.010 1
1 1465 . 7 1 1 A 137 137 HIS CA C 136 54.190 53.741 0.449 1
1 1466 . 7 1 1 A 137 137 HIS CB C 136 31.681 32.155 -0.474 1
1 1467 . 7 1 1 A 137 137 HIS N N 136 115.753 115.942 -0.189 1
1 1468 . 7 1 1 A 138 138 LEU H H 137 8.553 8.500 0.053 1
1 1469 . 7 1 1 A 138 138 LEU HA H 137 5.251 4.432 0.819 1
1 1479 . 7 1 1 A 138 138 LEU CA C 137 54.147 54.832 -0.685 1
1 1480 . 7 1 1 A 138 138 LEU CB C 137 42.849 42.539 0.310 1
1 1484 . 7 1 1 A 138 138 LEU N N 137 118.446 120.868 -2.422 1
1 1485 . 7 1 1 A 139 139 ALA H H 138 9.357 8.799 0.558 1
1 1486 . 7 1 1 A 139 139 ALA HA H 138 4.760 4.863 -0.103 1
1 1490 . 7 1 1 A 139 139 ALA CA C 138 51.091 51.479 -0.388 1
1 1491 . 7 1 1 A 139 139 ALA CB C 138 22.924 23.000 -0.076 1
1 1492 . 7 1 1 A 139 139 ALA N N 138 126.689 123.676 3.013 1
1 1493 . 7 1 1 A 140 140 LEU H H 139 7.287 8.666 -1.379 1
1 1494 . 7 1 1 A 140 140 LEU HA H 139 5.278 4.479 0.799 1
1 1504 . 7 1 1 A 140 140 LEU CA C 139 53.026 54.777 -1.751 1
1 1505 . 7 1 1 A 140 140 LEU CB C 139 42.025 40.868 1.157 1
1 1509 . 7 1 1 A 140 140 LEU N N 139 116.219 121.025 -4.806 1
1 1510 . 7 1 1 A 141 141 ILE H H 140 9.676 9.260 0.416 1
1 1511 . 7 1 1 A 141 141 ILE HA H 140 4.321 4.623 -0.302 1
1 1521 . 7 1 1 A 141 141 ILE CA C 140 59.331 60.389 -1.058 1
1 1522 . 7 1 1 A 141 141 ILE CB C 140 40.745 38.271 2.474 1
1 1526 . 7 1 1 A 141 141 ILE N N 140 124.052 125.879 -1.827 1
1 1527 . 7 1 1 A 142 142 LYS H H 141 8.665 9.022 -0.357 1
1 1528 . 7 1 1 A 142 142 LYS HA H 141 5.053 4.777 0.276 1
1 1534 . 7 1 1 A 142 142 LYS CA C 141 55.586 55.587 -0.001 1
1 1535 . 7 1 1 A 142 142 LYS CB C 141 32.709 33.693 -0.984 1
1 1539 . 7 1 1 A 142 142 LYS N N 141 128.856 128.827 0.029 1
1 1540 . 7 1 1 A 143 143 VAL H H 142 8.757 9.161 -0.404 1
1 1541 . 7 1 1 A 143 143 VAL HA H 142 4.223 4.581 -0.358 1
1 1549 . 7 1 1 A 143 143 VAL CA C 142 62.032 60.989 1.043 1
1 1550 . 7 1 1 A 143 143 VAL CB C 142 33.008 34.548 -1.540 1
1 1553 . 7 1 1 A 143 143 VAL N N 142 127.220 127.691 -0.471 1
1 1554 . 7 1 1 A 144 144 ASP H H 143 8.595 8.803 -0.208 1
1 1555 . 7 1 1 A 144 144 ASP HA H 143 4.698 4.790 -0.092 1
1 1557 . 7 1 1 A 144 144 ASP CB C 143 41.517 41.495 0.022 1
1 1558 . 7 1 1 A 144 144 ASP N N 143 125.250 128.761 -3.511 1
1 1559 . 7 1 1 A 145 145 SER H H 144 8.296 8.811 -0.515 1
1 1560 . 7 1 1 A 145 145 SER HA H 144 4.455 4.202 0.253 1
1 1563 . 7 1 1 A 145 145 SER CA C 144 58.814 59.841 -1.027 1
1 1564 . 7 1 1 A 145 145 SER CB C 144 63.202 62.910 0.292 1
1 1565 . 7 1 1 A 145 145 SER N N 144 116.695 119.828 -3.133 1
1 1566 . 7 1 1 A 146 146 SER H H 145 8.512 8.788 -0.276 1
1 1567 . 7 1 1 A 146 146 SER HA H 145 4.393 4.143 0.250 1
1 1570 . 7 1 1 A 146 146 SER CA C 145 59.286 60.625 -1.339 1
1 1571 . 7 1 1 A 146 146 SER CB C 145 63.396 61.344 2.052 1
1 1572 . 7 1 1 A 146 146 SER N N 145 117.509 115.689 1.820 1
1 1573 . 7 1 1 A 147 147 GLU H H 146 8.145 7.671 0.474 1
1 1574 . 7 1 1 A 147 147 GLU HA H 146 4.351 4.286 0.065 1
1 1578 . 7 1 1 A 147 147 GLU CA C 146 56.389 58.083 -1.694 1
1 1579 . 7 1 1 A 147 147 GLU N N 146 121.023 119.757 1.266 1
1 1580 . 7 1 1 A 148 148 ASN H H 147 8.145 7.654 0.491 1
1 1581 . 7 1 1 A 148 148 ASN HA H 147 4.584 5.030 -0.446 1
1 1584 . 7 1 1 A 148 148 ASN CA C 147 53.643 52.072 1.571 1
1 1585 . 7 1 1 A 148 148 ASN CB C 147 38.423 38.950 -0.527 1
1 1586 . 7 1 1 A 148 148 ASN N N 147 118.043 116.020 2.023 1
1 1587 . 7 1 1 A 149 149 LEU H H 148 7.953 8.242 -0.289 1
1 1588 . 7 1 1 A 149 149 LEU HA H 148 4.294 4.186 0.108 1
1 1598 . 7 1 1 A 149 149 LEU CA C 148 55.249 56.308 -1.059 1
1 1599 . 7 1 1 A 149 149 LEU CB C 148 42.000 41.389 0.611 1
1 1603 . 7 1 1 A 149 149 LEU N N 148 120.366 121.345 -0.979 1
1 1604 . 7 1 1 A 150 150 CYS H H 149 8.141 7.953 0.188 1
1 1605 . 7 1 1 A 150 150 CYS HA H 149 4.517 4.648 -0.131 1
1 1608 . 7 1 1 A 150 150 CYS CA C 149 57.817 58.162 -0.345 1
1 1609 . 7 1 1 A 150 150 CYS CB C 149 27.529 26.554 0.975 1
1 1610 . 7 1 1 A 150 150 CYS N N 149 118.879 115.994 2.885 1
1 1611 . 7 1 1 A 151 151 THR H H 150 7.892 7.194 0.698 1
1 1612 . 7 1 1 A 151 151 THR HA H 150 4.191 4.341 -0.150 1
1 1617 . 7 1 1 A 151 151 THR CA C 150 61.680 61.144 0.536 1
1 1618 . 7 1 1 A 151 151 THR CB C 150 68.930 68.951 -0.021 1
1 1620 . 7 1 1 A 151 151 THR N N 150 117.354 113.744 3.610 1
1 1621 . 7 1 1 A 152 152 GLU H H 151 8.547 8.962 -0.415 1
1 1622 . 7 1 1 A 152 152 GLU HA H 151 3.600 4.002 -0.402 1
1 1627 . 7 1 1 A 152 152 GLU CA C 151 59.126 58.744 0.382 1
1 1628 . 7 1 1 A 152 152 GLU CB C 151 28.575 29.314 -0.739 1
1 1630 . 7 1 1 A 152 152 GLU N N 151 122.526 124.986 -2.460 1
1 1631 . 7 1 1 A 153 153 ASN H H 152 8.140 8.143 -0.003 1
1 1632 . 7 1 1 A 153 153 ASN HA H 152 4.525 4.460 0.065 1
1 1635 . 7 1 1 A 153 153 ASN CA C 152 54.838 56.278 -1.440 1
1 1636 . 7 1 1 A 153 153 ASN CB C 152 37.230 38.600 -1.370 1
1 1637 . 7 1 1 A 153 153 ASN N N 152 113.916 117.517 -3.601 1
1 1638 . 7 1 1 A 154 154 ILE H H 153 6.885 7.619 -0.734 1
1 1639 . 7 1 1 A 154 154 ILE HA H 153 5.150 4.389 0.761 1
1 1649 . 7 1 1 A 154 154 ILE CA C 153 60.523 61.056 -0.533 1
1 1650 . 7 1 1 A 154 154 ILE CB C 153 38.399 37.291 1.108 1
1 1654 . 7 1 1 A 154 154 ILE N N 153 108.606 112.698 -4.092 1
1 1655 . 7 1 1 A 155 155 LEU H H 154 7.162 7.138 0.024 1
1 1656 . 7 1 1 A 155 155 LEU HA H 154 4.654 4.986 -0.332 1
1 1666 . 7 1 1 A 155 155 LEU CA C 154 54.179 52.983 1.196 1
1 1667 . 7 1 1 A 155 155 LEU CB C 154 43.178 44.853 -1.675 1
1 1671 . 7 1 1 A 155 155 LEU N N 154 123.152 123.813 -0.661 1
1 1672 . 7 1 1 A 156 156 PHE H H 155 9.292 9.372 -0.080 1
1 1673 . 7 1 1 A 156 156 PHE HA H 155 5.175 5.356 -0.181 1
1 1681 . 7 1 1 A 156 156 PHE CA C 155 56.409 56.342 0.067 1
1 1682 . 7 1 1 A 156 156 PHE CB C 155 43.001 43.737 -0.736 1
1 1688 . 7 1 1 A 156 156 PHE N N 155 119.900 123.314 -3.414 1
1 1689 . 7 1 1 A 157 157 LYS H H 156 9.195 8.833 0.362 1
1 1690 . 7 1 1 A 157 157 LYS HA H 156 4.966 5.195 -0.229 1
1 1698 . 7 1 1 A 157 157 LYS CA C 156 55.200 54.914 0.286 1
1 1699 . 7 1 1 A 157 157 LYS CB C 156 35.002 35.956 -0.954 1
1 1703 . 7 1 1 A 157 157 LYS N N 156 118.435 119.540 -1.105 1
1 1704 . 7 1 1 A 158 158 LEU H H 157 8.769 9.278 -0.509 1
1 1705 . 7 1 1 A 158 158 LEU HA H 157 5.356 5.470 -0.114 1
1 1715 . 7 1 1 A 158 158 LEU CA C 157 53.173 53.570 -0.397 1
1 1716 . 7 1 1 A 158 158 LEU CB C 157 44.220 42.977 1.243 1
1 1720 . 7 1 1 A 158 158 LEU N N 157 122.607 125.130 -2.523 1
1 1721 . 7 1 1 A 159 159 SER H H 158 8.462 9.020 -0.558 1
1 1722 . 7 1 1 A 159 159 SER HA H 158 4.854 5.096 -0.242 1
1 1724 . 7 1 1 A 159 159 SER CA C 158 57.305 57.902 -0.597 1
1 1725 . 7 1 1 A 159 159 SER CB C 158 64.330 63.967 0.363 1
1 1726 . 7 1 1 A 159 159 SER N N 158 116.051 122.731 -6.680 1
1 1727 . 7 1 1 A 160 160 GLU H H 159 9.008 8.864 0.144 1
1 1728 . 7 1 1 A 160 160 GLU HA H 159 4.606 4.939 -0.333 1
1 1732 . 7 1 1 A 160 160 GLU CA C 159 56.956 56.026 0.930 1
1 1733 . 7 1 1 A 160 160 GLU CB C 159 30.452 29.785 0.667 1
1 1735 . 7 1 1 A 160 160 GLU N N 159 124.532 126.284 -1.752 1
1 1 . 8 1 1 A 4 4 ILE H H 3 8.198 8.269 -0.071 1
1 2 . 8 1 1 A 4 4 ILE HA H 3 4.246 3.952 0.294 1
1 12 . 8 1 1 A 4 4 ILE CA C 3 61.002 63.698 -2.696 1
1 13 . 8 1 1 A 4 4 ILE CB C 3 38.400 37.863 0.537 1
1 17 . 8 1 1 A 4 4 ILE N N 3 121.904 122.511 -0.607 1
1 18 . 8 1 1 A 5 5 THR H H 4 8.045 7.693 0.352 1
1 19 . 8 1 1 A 5 5 THR HA H 4 4.328 4.528 -0.200 1
1 24 . 8 1 1 A 5 5 THR CA C 4 61.754 60.272 1.482 1
1 25 . 8 1 1 A 5 5 THR CB C 4 69.755 69.048 0.707 1
1 27 . 8 1 1 A 5 5 THR N N 4 117.078 110.031 7.047 1
1 28 . 8 1 1 A 6 6 GLY H H 5 8.294 8.237 0.057 1
1 29 . 8 1 1 A 6 6 GLY HA2 H 5 3.978 3.879 0.099 1
1 30 . 8 1 1 A 6 6 GLY HA3 H 5 4.040 3.880 0.160 1
1 31 . 8 1 1 A 6 6 GLY CA C 5 45.204 46.893 -1.689 1
1 32 . 8 1 1 A 6 6 GLY N N 5 110.823 110.216 0.607 1
1 33 . 8 1 1 A 7 7 ILE H H 6 7.850 7.762 0.088 1
1 34 . 8 1 1 A 7 7 ILE HA H 6 4.507 4.253 0.254 1
1 44 . 8 1 1 A 7 7 ILE CA C 6 61.058 60.278 0.780 1
1 45 . 8 1 1 A 7 7 ILE CB C 6 39.405 39.061 0.344 1
1 49 . 8 1 1 A 7 7 ILE N N 6 117.894 117.352 0.542 1
1 50 . 8 1 1 A 8 8 SER H H 7 8.484 8.796 -0.312 1
1 51 . 8 1 1 A 8 8 SER HA H 7 5.138 5.209 -0.071 1
1 54 . 8 1 1 A 8 8 SER CA C 7 55.586 55.060 0.526 1
1 55 . 8 1 1 A 8 8 SER CB C 7 63.867 64.534 -0.667 1
1 56 . 8 1 1 A 8 8 SER N N 7 119.581 117.400 2.181 1
1 57 . 8 1 1 A 9 9 PRO HA H 8 4.070 4.292 -0.222 1
1 64 . 8 1 1 A 9 9 PRO CA C 8 62.783 62.841 -0.058 1
1 65 . 8 1 1 A 9 9 PRO CB C 8 32.390 31.813 0.577 1
1 68 . 8 1 1 A 10 10 ILE H H 9 8.916 8.725 0.191 1
1 69 . 8 1 1 A 10 10 ILE HA H 9 4.231 4.234 -0.003 1
1 79 . 8 1 1 A 10 10 ILE CA C 9 62.297 62.617 -0.320 1
1 80 . 8 1 1 A 10 10 ILE CB C 9 39.145 38.959 0.186 1
1 84 . 8 1 1 A 10 10 ILE N N 9 119.667 119.039 0.628 1
1 85 . 8 1 1 A 11 11 THR H H 10 7.263 7.473 -0.210 1
1 86 . 8 1 1 A 11 11 THR HA H 10 4.577 4.578 -0.001 1
1 91 . 8 1 1 A 11 11 THR CA C 10 60.889 61.414 -0.525 1
1 92 . 8 1 1 A 11 11 THR CB C 10 69.698 71.230 -1.532 1
1 94 . 8 1 1 A 11 11 THR N N 10 112.847 112.517 0.330 1
1 95 . 8 1 1 A 12 12 GLU H H 11 8.157 8.875 -0.718 1
1 96 . 8 1 1 A 12 12 GLU HA H 11 5.689 5.357 0.332 1
1 100 . 8 1 1 A 12 12 GLU CA C 11 54.700 55.171 -0.471 1
1 101 . 8 1 1 A 12 12 GLU CB C 11 33.384 33.044 0.340 1
1 103 . 8 1 1 A 12 12 GLU N N 11 122.192 126.508 -4.316 1
1 104 . 8 1 1 A 13 13 TYR H H 12 8.917 8.715 0.202 1
1 105 . 8 1 1 A 13 13 TYR HA H 12 4.919 5.140 -0.221 1
1 112 . 8 1 1 A 13 13 TYR CA C 12 56.453 55.903 0.550 1
1 113 . 8 1 1 A 13 13 TYR CB C 12 40.158 40.709 -0.551 1
1 118 . 8 1 1 A 13 13 TYR N N 12 119.678 119.914 -0.236 1
1 119 . 8 1 1 A 14 14 LEU H H 13 8.420 8.495 -0.075 1
1 120 . 8 1 1 A 14 14 LEU HA H 13 5.201 4.595 0.606 1
1 130 . 8 1 1 A 14 14 LEU CA C 13 53.778 54.883 -1.105 1
1 131 . 8 1 1 A 14 14 LEU CB C 13 43.570 42.786 0.784 1
1 135 . 8 1 1 A 14 14 LEU N N 13 121.655 121.816 -0.161 1
1 136 . 8 1 1 A 15 15 ALA H H 14 9.227 8.847 0.380 1
1 137 . 8 1 1 A 15 15 ALA HA H 14 4.979 5.117 -0.138 1
1 141 . 8 1 1 A 15 15 ALA CA C 14 50.832 51.493 -0.661 1
1 142 . 8 1 1 A 15 15 ALA CB C 14 23.479 23.223 0.256 1
1 143 . 8 1 1 A 15 15 ALA N N 14 124.927 125.392 -0.465 1
1 144 . 8 1 1 A 16 16 SER H H 15 9.006 8.842 0.164 1
1 145 . 8 1 1 A 16 16 SER HA H 15 5.044 5.177 -0.133 1
1 148 . 8 1 1 A 16 16 SER CA C 15 57.379 56.345 1.034 1
1 149 . 8 1 1 A 16 16 SER CB C 15 64.811 64.464 0.347 1
1 150 . 8 1 1 A 16 16 SER N N 15 115.217 116.476 -1.259 1
1 151 . 8 1 1 A 17 17 LEU H H 16 9.299 8.838 0.461 1
1 152 . 8 1 1 A 17 17 LEU HA H 16 5.350 4.665 0.685 1
1 162 . 8 1 1 A 17 17 LEU CA C 16 54.150 55.119 -0.969 1
1 163 . 8 1 1 A 17 17 LEU CB C 16 45.483 41.614 3.869 1
1 167 . 8 1 1 A 17 17 LEU N N 16 125.526 126.017 -0.491 1
1 168 . 8 1 1 A 18 18 SER H H 17 9.032 8.876 0.156 1
1 169 . 8 1 1 A 18 18 SER HA H 17 5.707 5.778 -0.071 1
1 172 . 8 1 1 A 18 18 SER CA C 17 56.078 56.566 -0.488 1
1 173 . 8 1 1 A 18 18 SER CB C 17 66.504 65.884 0.620 1
1 174 . 8 1 1 A 18 18 SER N N 17 118.219 119.478 -1.259 1
1 175 . 8 1 1 A 19 19 THR H H 18 9.122 8.884 0.238 1
1 176 . 8 1 1 A 19 19 THR HA H 18 4.651 4.355 0.296 1
1 182 . 8 1 1 A 19 19 THR CA C 18 60.871 61.257 -0.386 1
1 183 . 8 1 1 A 19 19 THR CB C 18 71.214 70.956 0.258 1
1 185 . 8 1 1 A 19 19 THR N N 18 110.542 115.137 -4.595 1
1 186 . 8 1 1 A 20 20 TYR H H 19 7.890 8.857 -0.967 1
1 187 . 8 1 1 A 20 20 TYR HA H 19 3.895 4.199 -0.304 1
1 194 . 8 1 1 A 20 20 TYR CA C 19 61.228 59.913 1.315 1
1 195 . 8 1 1 A 20 20 TYR CB C 19 39.123 39.167 -0.044 1
1 200 . 8 1 1 A 20 20 TYR N N 19 119.460 122.655 -3.195 1
1 201 . 8 1 1 A 21 21 ASN H H 20 7.312 7.487 -0.175 1
1 202 . 8 1 1 A 21 21 ASN HA H 20 4.663 4.807 -0.144 1
1 205 . 8 1 1 A 21 21 ASN CA C 20 52.035 51.938 0.097 1
1 206 . 8 1 1 A 21 21 ASN CB C 20 37.228 38.403 -1.175 1
1 207 . 8 1 1 A 21 21 ASN N N 20 112.235 117.064 -4.829 1
1 208 . 8 1 1 A 22 22 ASP H H 21 7.919 8.005 -0.086 1
1 209 . 8 1 1 A 22 22 ASP HA H 21 4.210 4.122 0.088 1
1 212 . 8 1 1 A 22 22 ASP CA C 21 56.289 55.562 0.727 1
1 213 . 8 1 1 A 22 22 ASP CB C 21 38.389 39.664 -1.275 1
1 214 . 8 1 1 A 22 22 ASP N N 21 113.136 115.710 -2.574 1
1 215 . 8 1 1 A 23 23 GLN H H 22 7.621 7.486 0.135 1
1 216 . 8 1 1 A 23 23 GLN HA H 22 4.576 4.656 -0.080 1
1 221 . 8 1 1 A 23 23 GLN CA C 22 55.474 54.619 0.855 1
1 222 . 8 1 1 A 23 23 GLN CB C 22 29.609 29.888 -0.279 1
1 224 . 8 1 1 A 23 23 GLN N N 22 115.930 118.154 -2.224 1
1 225 . 8 1 1 A 24 24 SER H H 23 8.847 8.599 0.248 1
1 226 . 8 1 1 A 24 24 SER HA H 23 4.699 5.162 -0.463 1
1 229 . 8 1 1 A 24 24 SER CA C 23 59.518 57.344 2.174 1
1 230 . 8 1 1 A 24 24 SER CB C 23 64.710 66.064 -1.354 1
1 231 . 8 1 1 A 24 24 SER N N 23 118.760 117.106 1.654 1
1 232 . 8 1 1 A 25 25 ILE H H 24 7.851 8.926 -1.075 1
1 233 . 8 1 1 A 25 25 ILE HA H 24 4.685 4.407 0.278 1
1 243 . 8 1 1 A 25 25 ILE CA C 24 59.480 60.853 -1.373 1
1 244 . 8 1 1 A 25 25 ILE CB C 24 36.204 37.837 -1.633 1
1 248 . 8 1 1 A 25 25 ILE N N 24 122.951 125.491 -2.540 1
1 249 . 8 1 1 A 26 26 THR H H 25 8.865 8.681 0.184 1
1 250 . 8 1 1 A 26 26 THR HA H 25 4.615 4.492 0.123 1
1 255 . 8 1 1 A 26 26 THR CA C 25 59.720 61.810 -2.090 1
1 256 . 8 1 1 A 26 26 THR CB C 25 70.755 69.507 1.248 1
1 258 . 8 1 1 A 26 26 THR N N 25 123.404 122.908 0.496 1
1 259 . 8 1 1 A 27 27 PHE H H 26 8.614 8.912 -0.298 1
1 260 . 8 1 1 A 27 27 PHE HA H 26 4.986 4.889 0.097 1
1 268 . 8 1 1 A 27 27 PHE CA C 26 55.673 56.480 -0.807 1
1 269 . 8 1 1 A 27 27 PHE CB C 26 40.422 38.610 1.812 1
1 275 . 8 1 1 A 27 27 PHE N N 26 120.710 126.597 -5.887 1
1 276 . 8 1 1 A 28 28 ALA H H 27 8.989 8.522 0.467 1
1 277 . 8 1 1 A 28 28 ALA HA H 27 4.719 4.590 0.129 1
1 281 . 8 1 1 A 28 28 ALA CA C 27 51.105 51.556 -0.451 1
1 282 . 8 1 1 A 28 28 ALA CB C 27 20.169 19.386 0.783 1
1 283 . 8 1 1 A 28 28 ALA N N 27 127.571 127.451 0.120 1
1 284 . 8 1 1 A 29 29 LEU H H 28 8.302 8.859 -0.557 1
1 285 . 8 1 1 A 29 29 LEU HA H 28 4.388 4.803 -0.415 1
1 295 . 8 1 1 A 29 29 LEU CA C 28 54.689 53.956 0.733 1
1 296 . 8 1 1 A 29 29 LEU CB C 28 42.072 42.000 0.072 1
1 300 . 8 1 1 A 29 29 LEU N N 28 123.967 124.470 -0.503 1
1 301 . 8 1 1 A 30 30 GLU H H 29 8.426 8.606 -0.180 1
1 302 . 8 1 1 A 30 30 GLU HA H 29 4.383 4.507 -0.124 1
1 306 . 8 1 1 A 30 30 GLU CA C 29 55.674 55.465 0.209 1
1 307 . 8 1 1 A 30 30 GLU CB C 29 30.616 30.941 -0.325 1
1 309 . 8 1 1 A 30 30 GLU N N 29 123.800 124.465 -0.665 1
1 310 . 8 1 1 A 31 31 ASP H H 30 8.504 8.920 -0.416 1
1 311 . 8 1 1 A 31 31 ASP HA H 30 4.359 4.242 0.117 1
1 314 . 8 1 1 A 31 31 ASP CA C 30 55.650 57.532 -1.882 1
1 315 . 8 1 1 A 31 31 ASP CB C 30 39.912 40.770 -0.858 1
1 316 . 8 1 1 A 31 31 ASP N N 30 121.263 122.950 -1.687 1
1 317 . 8 1 1 A 32 32 GLU H H 31 8.235 7.948 0.287 1
1 318 . 8 1 1 A 32 32 GLU HA H 31 4.039 4.316 -0.277 1
1 323 . 8 1 1 A 32 32 GLU CA C 31 56.572 55.856 0.716 1
1 324 . 8 1 1 A 32 32 GLU CB C 31 29.099 31.416 -2.317 1
1 326 . 8 1 1 A 32 32 GLU N N 31 115.284 113.524 1.760 1
1 327 . 8 1 1 A 33 33 SER H H 32 7.854 7.415 0.439 1
1 328 . 8 1 1 A 33 33 SER HA H 32 4.556 4.551 0.005 1
1 330 . 8 1 1 A 33 33 SER CA C 32 57.848 55.941 1.907 1
1 331 . 8 1 1 A 33 33 SER CB C 32 64.080 65.193 -1.113 1
1 332 . 8 1 1 A 33 33 SER N N 32 114.403 116.405 -2.002 1
1 333 . 8 1 1 A 34 34 TYR H H 33 8.117 9.057 -0.940 1
1 334 . 8 1 1 A 34 34 TYR HA H 33 4.995 5.010 -0.015 1
1 341 . 8 1 1 A 34 34 TYR CA C 33 56.928 56.394 0.534 1
1 342 . 8 1 1 A 34 34 TYR CB C 33 39.116 39.789 -0.673 1
1 347 . 8 1 1 A 34 34 TYR N N 33 119.987 123.037 -3.050 1
1 348 . 8 1 1 A 35 35 GLU H H 34 8.466 8.753 -0.287 1
1 349 . 8 1 1 A 35 35 GLU HA H 34 4.574 5.019 -0.445 1
1 352 . 8 1 1 A 35 35 GLU CA C 34 55.417 55.953 -0.536 1
1 353 . 8 1 1 A 35 35 GLU CB C 34 33.071 31.794 1.277 1
1 355 . 8 1 1 A 35 35 GLU N N 34 120.614 124.461 -3.847 1
1 356 . 8 1 1 A 36 36 ILE H H 35 8.485 8.791 -0.306 1
1 357 . 8 1 1 A 36 36 ILE HA H 35 4.713 4.988 -0.275 1
1 367 . 8 1 1 A 36 36 ILE CA C 35 60.138 60.110 0.028 1
1 368 . 8 1 1 A 36 36 ILE CB C 35 39.383 40.678 -1.295 1
1 372 . 8 1 1 A 36 36 ILE N N 35 121.673 123.988 -2.315 1
1 373 . 8 1 1 A 37 37 TYR H H 36 8.725 8.398 0.327 1
1 374 . 8 1 1 A 37 37 TYR HA H 36 5.148 5.622 -0.474 1
1 380 . 8 1 1 A 37 37 TYR CA C 36 55.698 56.003 -0.305 1
1 381 . 8 1 1 A 37 37 TYR CB C 36 40.866 41.653 -0.787 1
1 386 . 8 1 1 A 37 37 TYR N N 36 125.169 123.430 1.739 1
1 387 . 8 1 1 A 38 38 VAL H H 37 7.859 8.703 -0.844 1
1 388 . 8 1 1 A 38 38 VAL HA H 37 4.636 4.567 0.069 1
1 396 . 8 1 1 A 38 38 VAL CA C 37 60.937 62.178 -1.241 1
1 397 . 8 1 1 A 38 38 VAL CB C 37 32.382 32.054 0.328 1
1 400 . 8 1 1 A 38 38 VAL N N 37 120.727 122.335 -1.608 1
1 401 . 8 1 1 A 39 39 GLU H H 38 8.885 8.841 0.044 1
1 402 . 8 1 1 A 39 39 GLU HA H 38 4.690 4.832 -0.142 1
1 407 . 8 1 1 A 39 39 GLU CA C 38 55.174 54.808 0.366 1
1 408 . 8 1 1 A 39 39 GLU CB C 38 33.421 32.797 0.624 1
1 410 . 8 1 1 A 39 39 GLU N N 38 124.823 127.196 -2.373 1
1 411 . 8 1 1 A 40 40 ASP H H 39 8.646 8.916 -0.270 1
1 412 . 8 1 1 A 40 40 ASP HA H 39 4.721 5.460 -0.739 1
1 415 . 8 1 1 A 40 40 ASP CA C 39 54.340 53.127 1.213 1
1 416 . 8 1 1 A 40 40 ASP CB C 39 40.839 42.890 -2.051 1
1 417 . 8 1 1 A 40 40 ASP N N 39 122.400 121.104 1.296 1
1 418 . 8 1 1 A 41 41 LEU H H 40 8.133 8.899 -0.766 1
1 419 . 8 1 1 A 41 41 LEU HA H 40 4.430 4.933 -0.503 1
1 429 . 8 1 1 A 41 41 LEU CA C 40 54.553 53.209 1.344 1
1 430 . 8 1 1 A 41 41 LEU CB C 40 42.942 44.305 -1.363 1
1 434 . 8 1 1 A 41 41 LEU N N 40 122.394 124.572 -2.178 1
1 435 . 8 1 1 A 42 42 LYS H H 41 8.659 8.652 0.007 1
1 436 . 8 1 1 A 42 42 LYS HA H 41 4.357 4.564 -0.207 1
1 442 . 8 1 1 A 42 42 LYS CA C 41 55.924 56.919 -0.995 1
1 443 . 8 1 1 A 42 42 LYS CB C 41 32.421 34.376 -1.955 1
1 447 . 8 1 1 A 42 42 LYS N N 41 122.920 118.625 4.295 1
1 448 . 8 1 1 A 43 43 LYS H H 42 8.371 7.995 0.376 1
1 449 . 8 1 1 A 43 43 LYS HA H 42 4.223 4.709 -0.486 1
1 455 . 8 1 1 A 43 43 LYS CA C 42 56.924 54.479 2.445 1
1 456 . 8 1 1 A 43 43 LYS CB C 42 32.671 34.501 -1.830 1
1 460 . 8 1 1 A 43 43 LYS N N 42 121.924 118.774 3.150 1
1 461 . 8 1 1 A 44 44 ASP H H 43 8.355 8.565 -0.210 1
1 462 . 8 1 1 A 44 44 ASP HA H 43 4.556 4.676 -0.120 1
1 464 . 8 1 1 A 44 44 ASP CA C 43 54.243 53.771 0.472 1
1 465 . 8 1 1 A 44 44 ASP CB C 43 40.582 39.036 1.546 1
1 466 . 8 1 1 A 44 44 ASP N N 43 118.485 120.864 -2.379 1
1 467 . 8 1 1 A 45 45 GLU H H 44 8.011 8.440 -0.429 1
1 468 . 8 1 1 A 45 45 GLU HA H 44 4.313 4.956 -0.643 1
1 473 . 8 1 1 A 45 45 GLU CA C 44 56.362 54.540 1.822 1
1 474 . 8 1 1 A 45 45 GLU CB C 44 30.265 33.006 -2.741 1
1 476 . 8 1 1 A 45 45 GLU N N 44 119.516 121.969 -2.453 1
1 477 . 8 1 1 A 46 46 LYS H H 45 8.304 8.718 -0.414 1
1 478 . 8 1 1 A 46 46 LYS HA H 45 4.307 4.615 -0.308 1
1 485 . 8 1 1 A 46 46 LYS CA C 45 56.424 55.555 0.869 1
1 486 . 8 1 1 A 46 46 LYS CB C 45 32.421 33.055 -0.634 1
1 490 . 8 1 1 A 46 46 LYS N N 45 121.875 123.742 -1.867 1
1 491 . 8 1 1 A 47 47 LYS H H 46 8.280 8.357 -0.077 1
1 492 . 8 1 1 A 47 47 LYS HA H 46 4.469 4.431 0.038 1
1 498 . 8 1 1 A 47 47 LYS CA C 46 55.514 55.705 -0.191 1
1 499 . 8 1 1 A 47 47 LYS CB C 46 33.264 33.891 -0.627 1
1 503 . 8 1 1 A 47 47 LYS N N 46 122.374 125.006 -2.632 1
1 504 . 8 1 1 A 48 48 ASP H H 47 8.778 8.487 0.291 1
1 505 . 8 1 1 A 48 48 ASP HA H 47 4.811 4.821 -0.010 1
1 507 . 8 1 1 A 48 48 ASP CA C 47 54.357 54.327 0.030 1
1 508 . 8 1 1 A 48 48 ASP CB C 47 41.842 42.010 -0.168 1
1 509 . 8 1 1 A 48 48 ASP N N 47 122.211 122.314 -0.103 1
1 510 . 8 1 1 A 49 49 LYS H H 48 8.388 8.504 -0.116 1
1 511 . 8 1 1 A 49 49 LYS HA H 48 4.593 4.984 -0.391 1
1 519 . 8 1 1 A 49 49 LYS CA C 48 55.134 54.596 0.538 1
1 520 . 8 1 1 A 49 49 LYS CB C 48 34.993 35.412 -0.419 1
1 524 . 8 1 1 A 49 49 LYS N N 48 120.889 123.827 -2.938 1
1 525 . 8 1 1 A 50 50 VAL H H 49 9.063 8.759 0.304 1
1 526 . 8 1 1 A 50 50 VAL HA H 49 4.097 4.566 -0.469 1
1 534 . 8 1 1 A 50 50 VAL CA C 49 59.275 60.901 -1.626 1
1 535 . 8 1 1 A 50 50 VAL CB C 49 33.958 35.113 -1.155 1
1 538 . 8 1 1 A 50 50 VAL N N 49 118.350 121.075 -2.725 1
1 539 . 8 1 1 A 51 51 LEU H H 50 8.238 8.791 -0.553 1
1 540 . 8 1 1 A 51 51 LEU HA H 50 4.561 4.499 0.062 1
1 550 . 8 1 1 A 51 51 LEU CA C 50 54.877 54.786 0.091 1
1 551 . 8 1 1 A 51 51 LEU CB C 50 42.481 42.495 -0.014 1
1 555 . 8 1 1 A 51 51 LEU N N 50 125.236 130.692 -5.456 1
1 556 . 8 1 1 A 52 52 LEU H H 51 9.286 8.834 0.452 1
1 557 . 8 1 1 A 52 52 LEU HA H 51 5.190 5.186 0.004 1
1 567 . 8 1 1 A 52 52 LEU CA C 51 54.228 53.384 0.844 1
1 568 . 8 1 1 A 52 52 LEU CB C 51 42.961 43.240 -0.279 1
1 572 . 8 1 1 A 52 52 LEU N N 51 134.513 129.869 4.644 1
1 573 . 8 1 1 A 53 53 SER H H 52 7.992 8.822 -0.830 1
1 574 . 8 1 1 A 53 53 SER HA H 52 5.233 5.297 -0.064 1
1 577 . 8 1 1 A 53 53 SER CA C 52 56.869 57.285 -0.416 1
1 578 . 8 1 1 A 53 53 SER CB C 52 62.776 65.500 -2.724 1
1 579 . 8 1 1 A 53 53 SER N N 52 117.641 121.805 -4.164 1
1 580 . 8 1 1 A 54 54 TYR H H 53 8.703 9.012 -0.309 1
1 581 . 8 1 1 A 54 54 TYR HA H 53 5.611 5.387 0.224 1
1 588 . 8 1 1 A 54 54 TYR CA C 53 56.264 57.256 -0.992 1
1 589 . 8 1 1 A 54 54 TYR CB C 53 40.455 41.170 -0.715 1
1 594 . 8 1 1 A 54 54 TYR N N 53 122.503 123.860 -1.357 1
1 595 . 8 1 1 A 55 55 TYR H H 54 9.813 9.163 0.650 1
1 596 . 8 1 1 A 55 55 TYR HA H 54 4.983 5.081 -0.098 1
1 603 . 8 1 1 A 55 55 TYR CA C 54 56.465 56.281 0.184 1
1 604 . 8 1 1 A 55 55 TYR CB C 54 41.898 42.782 -0.884 1
1 609 . 8 1 1 A 55 55 TYR N N 54 120.204 120.507 -0.303 1
1 610 . 8 1 1 A 56 56 GLU H H 55 8.804 8.870 -0.066 1
1 611 . 8 1 1 A 56 56 GLU HA H 55 4.913 5.161 -0.248 1
1 616 . 8 1 1 A 56 56 GLU CA C 55 55.700 55.183 0.517 1
1 617 . 8 1 1 A 56 56 GLU CB C 55 31.684 31.757 -0.073 1
1 619 . 8 1 1 A 56 56 GLU N N 55 120.472 121.435 -0.963 1
1 620 . 8 1 1 A 57 57 SER H H 56 8.580 8.849 -0.269 1
1 621 . 8 1 1 A 57 57 SER HA H 56 4.619 4.918 -0.299 1
1 624 . 8 1 1 A 57 57 SER CA C 56 57.332 56.505 0.827 1
1 625 . 8 1 1 A 57 57 SER CB C 56 64.338 64.588 -0.250 1
1 626 . 8 1 1 A 57 57 SER N N 56 117.342 116.068 1.274 1
1 627 . 8 1 1 A 58 58 GLN H H 57 8.426 8.666 -0.240 1
1 628 . 8 1 1 A 58 58 GLN HA H 57 4.482 5.006 -0.524 1
1 632 . 8 1 1 A 58 58 GLN CA C 57 55.364 54.523 0.841 1
1 633 . 8 1 1 A 58 58 GLN CB C 57 29.603 30.845 -1.242 1
1 635 . 8 1 1 A 58 58 GLN N N 57 121.444 126.833 -5.389 1
1 636 . 8 1 1 A 59 59 HIS H H 58 8.481 9.116 -0.635 1
1 637 . 8 1 1 A 59 59 HIS HA H 58 4.862 4.918 -0.056 1
1 641 . 8 1 1 A 59 59 HIS CA C 58 54.055 54.397 -0.342 1
1 642 . 8 1 1 A 59 59 HIS CB C 58 30.237 30.008 0.229 1
1 643 . 8 1 1 A 59 59 HIS N N 58 122.199 123.957 -1.758 1
1 644 . 8 1 1 A 60 60 PRO HA H 59 4.506 4.683 -0.177 1
1 650 . 8 1 1 A 60 60 PRO CA C 59 63.254 62.418 0.836 1
1 651 . 8 1 1 A 60 60 PRO CB C 59 31.829 30.435 1.394 1
1 654 . 8 1 1 A 62 62 ASN H H 61 8.465 8.099 0.366 1
1 655 . 8 1 1 A 62 62 ASN HA H 61 4.769 4.792 -0.023 1
1 657 . 8 1 1 A 62 62 ASN CA C 61 53.310 52.688 0.622 1
1 658 . 8 1 1 A 62 62 ASN CB C 61 38.545 39.189 -0.644 1
1 659 . 8 1 1 A 62 62 ASN N N 61 120.049 116.679 3.370 1
1 660 . 8 1 1 A 63 63 GLU H H 62 8.369 7.981 0.388 1
1 661 . 8 1 1 A 63 63 GLU HA H 62 4.348 3.904 0.444 1
1 666 . 8 1 1 A 63 63 GLU CA C 62 56.828 57.357 -0.529 1
1 667 . 8 1 1 A 63 63 GLU CB C 62 30.044 27.362 2.682 1
1 669 . 8 1 1 A 63 63 GLU N N 62 120.260 116.876 3.384 1
1 670 . 8 1 1 A 64 64 SER H H 63 8.254 7.843 0.411 1
1 671 . 8 1 1 A 64 64 SER HA H 63 4.494 4.441 0.053 1
1 674 . 8 1 1 A 64 64 SER CA C 63 58.213 58.161 0.052 1
1 675 . 8 1 1 A 64 64 SER CB C 63 63.799 63.198 0.601 1
1 676 . 8 1 1 A 64 64 SER N N 63 115.291 114.039 1.252 1
1 677 . 8 1 1 A 65 65 GLY H H 64 8.294 8.551 -0.257 1
1 678 . 8 1 1 A 65 65 GLY HA2 H 64 4.001 4.017 -0.016 1
1 679 . 8 1 1 A 65 65 GLY CA C 64 45.306 45.587 -0.281 1
1 680 . 8 1 1 A 65 65 GLY N N 64 110.364 114.018 -3.654 1
1 681 . 8 1 1 A 66 66 ASP H H 65 8.227 8.268 -0.041 1
1 682 . 8 1 1 A 66 66 ASP HA H 65 4.664 4.345 0.319 1
1 684 . 8 1 1 A 66 66 ASP CA C 65 54.180 55.410 -1.230 1
1 685 . 8 1 1 A 66 66 ASP CB C 65 41.160 39.398 1.762 1
1 686 . 8 1 1 A 66 66 ASP N N 65 119.894 117.759 2.135 1
1 687 . 8 1 1 A 67 67 GLY H H 66 8.379 8.309 0.070 1
1 688 . 8 1 1 A 67 67 GLY HA2 H 66 3.997 4.089 -0.092 1
1 689 . 8 1 1 A 67 67 GLY CA C 66 45.216 45.507 -0.291 1
1 690 . 8 1 1 A 67 67 GLY N N 66 108.939 105.724 3.215 1
1 691 . 8 1 1 A 68 68 VAL H H 67 8.008 8.455 -0.447 1
1 692 . 8 1 1 A 68 68 VAL HA H 67 4.164 3.845 0.319 1
1 700 . 8 1 1 A 68 68 VAL CA C 67 62.133 63.112 -0.979 1
1 701 . 8 1 1 A 68 68 VAL CB C 67 32.509 29.555 2.954 1
1 704 . 8 1 1 A 68 68 VAL N N 67 118.651 116.549 2.102 1
1 705 . 8 1 1 A 69 69 ASP H H 68 8.441 8.574 -0.133 1
1 706 . 8 1 1 A 69 69 ASP HA H 68 4.664 4.353 0.311 1
1 709 . 8 1 1 A 69 69 ASP CA C 68 54.211 54.859 -0.648 1
1 710 . 8 1 1 A 69 69 ASP CB C 68 40.995 39.362 1.633 1
1 711 . 8 1 1 A 69 69 ASP N N 68 122.953 116.413 6.540 1
1 712 . 8 1 1 A 70 70 GLY H H 69 8.231 8.300 -0.069 1
1 713 . 8 1 1 A 70 70 GLY HA2 H 69 3.980 3.923 0.057 1
1 714 . 8 1 1 A 70 70 GLY CA C 69 45.347 45.545 -0.198 1
1 715 . 8 1 1 A 70 70 GLY N N 69 108.501 109.821 -1.320 1
1 716 . 8 1 1 A 71 71 LYS H H 70 8.097 7.477 0.620 1
1 717 . 8 1 1 A 71 71 LYS HA H 70 4.552 4.242 0.310 1
1 725 . 8 1 1 A 71 71 LYS CA C 70 55.514 56.741 -1.227 1
1 726 . 8 1 1 A 71 71 LYS CB C 70 33.267 32.974 0.293 1
1 730 . 8 1 1 A 71 71 LYS N N 70 120.089 119.699 0.390 1
1 731 . 8 1 1 A 72 72 MET H H 71 8.485 8.546 -0.061 1
1 732 . 8 1 1 A 72 72 MET HA H 71 4.622 4.642 -0.020 1
1 740 . 8 1 1 A 72 72 MET CA C 71 54.810 55.047 -0.237 1
1 741 . 8 1 1 A 72 72 MET CB C 71 34.060 33.238 0.822 1
1 744 . 8 1 1 A 72 72 MET N N 71 121.815 121.318 0.497 1
1 745 . 8 1 1 A 73 73 LEU H H 72 8.792 8.884 -0.092 1
1 746 . 8 1 1 A 73 73 LEU HA H 72 5.140 5.062 0.078 1
1 756 . 8 1 1 A 73 73 LEU CA C 72 53.671 53.742 -0.071 1
1 757 . 8 1 1 A 73 73 LEU CB C 72 44.258 43.818 0.440 1
1 761 . 8 1 1 A 73 73 LEU N N 72 124.871 125.512 -0.641 1
1 762 . 8 1 1 A 74 74 MET H H 73 9.089 9.053 0.036 1
1 763 . 8 1 1 A 74 74 MET HA H 73 5.741 5.300 0.441 1
1 770 . 8 1 1 A 74 74 MET CA C 73 53.328 54.268 -0.940 1
1 771 . 8 1 1 A 74 74 MET CB C 73 36.526 35.059 1.467 1
1 774 . 8 1 1 A 74 74 MET N N 73 119.200 122.779 -3.579 1
1 775 . 8 1 1 A 75 75 VAL H H 74 10.046 8.931 1.115 1
1 776 . 8 1 1 A 75 75 VAL HA H 74 6.298 5.120 1.178 1
1 784 . 8 1 1 A 75 75 VAL CA C 74 58.377 60.039 -1.662 1
1 785 . 8 1 1 A 75 75 VAL CB C 74 36.528 35.540 0.988 1
1 788 . 8 1 1 A 75 75 VAL N N 74 116.505 119.870 -3.365 1
1 789 . 8 1 1 A 76 76 THR H H 75 8.519 9.067 -0.548 1
1 790 . 8 1 1 A 76 76 THR HA H 75 4.978 5.376 -0.398 1
1 795 . 8 1 1 A 76 76 THR CA C 75 59.451 60.195 -0.744 1
1 796 . 8 1 1 A 76 76 THR CB C 75 71.755 71.174 0.581 1
1 798 . 8 1 1 A 76 76 THR N N 75 111.166 119.497 -8.331 1
1 799 . 8 1 1 A 77 77 LEU H H 76 10.195 9.229 0.966 1
1 800 . 8 1 1 A 77 77 LEU HA H 76 5.175 4.800 0.375 1
1 810 . 8 1 1 A 77 77 LEU CA C 76 55.214 53.423 1.791 1
1 811 . 8 1 1 A 77 77 LEU CB C 76 45.718 42.589 3.129 1
1 815 . 8 1 1 A 77 77 LEU N N 76 121.235 126.638 -5.403 1
1 816 . 8 1 1 A 78 78 SER H H 77 8.596 8.727 -0.131 1
1 817 . 8 1 1 A 78 78 SER HA H 77 5.427 4.953 0.474 1
1 821 . 8 1 1 A 78 78 SER CA C 77 52.060 55.232 -3.172 1
1 822 . 8 1 1 A 78 78 SER CB C 77 63.768 64.463 -0.695 1
1 823 . 8 1 1 A 78 78 SER N N 77 116.108 120.573 -4.465 1
1 824 . 8 1 1 A 79 79 PRO HA H 78 4.257 4.256 0.001 1
1 831 . 8 1 1 A 79 79 PRO CA C 78 62.972 63.572 -0.600 1
1 832 . 8 1 1 A 79 79 PRO CB C 78 31.667 31.217 0.450 1
1 835 . 8 1 1 A 80 80 THR H H 79 6.796 7.120 -0.324 1
1 836 . 8 1 1 A 80 80 THR HA H 79 4.204 4.558 -0.354 1
1 842 . 8 1 1 A 80 80 THR CA C 79 60.016 60.141 -0.125 1
1 843 . 8 1 1 A 80 80 THR CB C 79 68.509 71.454 -2.945 1
1 845 . 8 1 1 A 80 80 THR N N 79 110.183 108.853 1.330 1
1 846 . 8 1 1 A 81 81 LYS H H 80 7.638 8.638 -1.000 1
1 847 . 8 1 1 A 81 81 LYS HA H 80 3.744 4.192 -0.448 1
1 853 . 8 1 1 A 81 81 LYS CA C 80 58.578 58.225 0.353 1
1 854 . 8 1 1 A 81 81 LYS CB C 80 32.325 32.364 -0.039 1
1 858 . 8 1 1 A 81 81 LYS N N 80 124.973 119.269 5.704 1
1 859 . 8 1 1 A 82 82 ASP H H 81 8.255 7.673 0.582 1
1 860 . 8 1 1 A 82 82 ASP HA H 81 4.277 3.986 0.291 1
1 863 . 8 1 1 A 82 82 ASP CA C 81 57.378 54.749 2.629 1
1 864 . 8 1 1 A 82 82 ASP CB C 81 39.348 41.230 -1.882 1
1 865 . 8 1 1 A 82 82 ASP N N 81 117.344 116.925 0.419 1
1 866 . 8 1 1 A 83 83 PHE H H 82 7.880 7.128 0.752 1
1 867 . 8 1 1 A 83 83 PHE HA H 82 5.243 4.393 0.850 1
1 875 . 8 1 1 A 83 83 PHE CA C 82 56.927 57.546 -0.619 1
1 876 . 8 1 1 A 83 83 PHE CB C 82 41.679 39.615 2.064 1
1 881 . 8 1 1 A 83 83 PHE N N 82 115.687 118.060 -2.373 1
1 882 . 8 1 1 A 84 84 TRP H H 83 8.718 9.087 -0.369 1
1 883 . 8 1 1 A 84 84 TRP HA H 83 5.445 5.156 0.289 1
1 892 . 8 1 1 A 84 84 TRP CA C 83 57.105 56.260 0.845 1
1 893 . 8 1 1 A 84 84 TRP CB C 83 33.602 32.834 0.768 1
1 898 . 8 1 1 A 84 84 TRP N N 83 119.999 123.130 -3.131 1
1 900 . 8 1 1 A 85 85 LEU H H 84 8.738 8.260 0.478 1
1 901 . 8 1 1 A 85 85 LEU HA H 84 4.802 4.562 0.240 1
1 911 . 8 1 1 A 85 85 LEU CA C 84 56.224 54.836 1.388 1
1 912 . 8 1 1 A 85 85 LEU CB C 84 42.532 41.138 1.394 1
1 916 . 8 1 1 A 85 85 LEU N N 84 123.889 123.604 0.285 1
1 917 . 8 1 1 A 86 86 HIS H H 85 9.563 9.228 0.335 1
1 918 . 8 1 1 A 86 86 HIS HA H 85 5.027 5.071 -0.044 1
1 923 . 8 1 1 A 86 86 HIS CA C 85 54.704 54.637 0.067 1
1 924 . 8 1 1 A 86 86 HIS CB C 85 33.214 32.566 0.648 1
1 926 . 8 1 1 A 86 86 HIS N N 85 121.782 123.589 -1.807 1
1 927 . 8 1 1 A 87 87 ALA H H 86 8.544 8.738 -0.194 1
1 928 . 8 1 1 A 87 87 ALA HA H 86 4.614 4.579 0.035 1
1 932 . 8 1 1 A 87 87 ALA CA C 86 52.098 52.344 -0.246 1
1 933 . 8 1 1 A 87 87 ALA CB C 86 20.690 19.325 1.365 1
1 934 . 8 1 1 A 87 87 ALA N N 86 125.230 125.997 -0.767 1
1 935 . 8 1 1 A 88 88 ASN H H 87 8.846 8.815 0.031 1
1 936 . 8 1 1 A 88 88 ASN HA H 87 4.862 5.087 -0.225 1
1 939 . 8 1 1 A 88 88 ASN CA C 87 51.444 51.685 -0.241 1
1 940 . 8 1 1 A 88 88 ASN CB C 87 37.171 38.759 -1.588 1
1 941 . 8 1 1 A 88 88 ASN N N 87 121.260 122.518 -1.258 1
1 942 . 8 1 1 A 89 89 ASN H H 88 8.638 8.699 -0.061 1
1 943 . 8 1 1 A 89 89 ASN HA H 88 4.284 4.352 -0.068 1
1 946 . 8 1 1 A 89 89 ASN CA C 88 55.788 54.892 0.896 1
1 947 . 8 1 1 A 89 89 ASN CB C 88 37.818 38.534 -0.716 1
1 948 . 8 1 1 A 89 89 ASN N N 88 121.570 123.821 -2.251 1
1 949 . 8 1 1 A 90 90 LYS H H 89 8.196 7.862 0.334 1
1 950 . 8 1 1 A 90 90 LYS HA H 89 4.101 3.982 0.119 1
1 957 . 8 1 1 A 90 90 LYS CA C 89 58.402 59.475 -1.073 1
1 958 . 8 1 1 A 90 90 LYS CB C 89 32.018 32.475 -0.457 1
1 962 . 8 1 1 A 90 90 LYS N N 89 119.566 118.037 1.529 1
1 963 . 8 1 1 A 91 91 GLU H H 90 6.917 7.403 -0.486 1
1 964 . 8 1 1 A 91 91 GLU HA H 90 4.378 4.580 -0.202 1
1 969 . 8 1 1 A 91 91 GLU CA C 90 54.864 55.710 -0.846 1
1 970 . 8 1 1 A 91 91 GLU CB C 90 29.597 30.286 -0.689 1
1 972 . 8 1 1 A 91 91 GLU N N 90 114.145 115.980 -1.835 1
1 973 . 8 1 1 A 92 92 HIS H H 91 7.738 7.871 -0.133 1
1 974 . 8 1 1 A 92 92 HIS HA H 91 4.181 4.222 -0.041 1
1 978 . 8 1 1 A 92 92 HIS CA C 91 57.189 56.880 0.309 1
1 979 . 8 1 1 A 92 92 HIS CB C 91 26.154 26.768 -0.614 1
1 980 . 8 1 1 A 92 92 HIS N N 91 115.238 116.097 -0.859 1
1 981 . 8 1 1 A 93 93 SER H H 92 8.415 7.474 0.941 1
1 982 . 8 1 1 A 93 93 SER HA H 92 5.185 5.096 0.089 1
1 985 . 8 1 1 A 93 93 SER CA C 92 56.374 57.783 -1.409 1
1 986 . 8 1 1 A 93 93 SER CB C 92 67.005 67.408 -0.403 1
1 987 . 8 1 1 A 93 93 SER N N 92 113.966 113.441 0.525 1
1 988 . 8 1 1 A 94 94 VAL H H 93 8.251 8.749 -0.498 1
1 989 . 8 1 1 A 94 94 VAL HA H 93 4.868 4.703 0.165 1
1 997 . 8 1 1 A 94 94 VAL CA C 93 60.478 61.450 -0.972 1
1 998 . 8 1 1 A 94 94 VAL CB C 93 33.120 32.881 0.239 1
1 1001 . 8 1 1 A 94 94 VAL N N 93 116.256 122.420 -6.164 1
1 1002 . 8 1 1 A 95 95 GLU H H 94 8.904 9.022 -0.118 1
1 1003 . 8 1 1 A 95 95 GLU HA H 94 4.878 5.036 -0.158 1
1 1008 . 8 1 1 A 95 95 GLU CA C 94 53.455 54.465 -1.010 1
1 1009 . 8 1 1 A 95 95 GLU CB C 94 34.430 33.976 0.454 1
1 1011 . 8 1 1 A 95 95 GLU N N 94 122.142 125.804 -3.662 1
1 1012 . 8 1 1 A 96 96 LEU H H 95 8.237 8.362 -0.125 1
1 1013 . 8 1 1 A 96 96 LEU HA H 95 4.974 5.040 -0.066 1
1 1023 . 8 1 1 A 96 96 LEU CA C 95 53.731 54.052 -0.321 1
1 1024 . 8 1 1 A 96 96 LEU CB C 95 43.478 41.814 1.664 1
1 1028 . 8 1 1 A 96 96 LEU N N 95 121.305 122.607 -1.302 1
1 1029 . 8 1 1 A 97 97 HIS H H 96 8.294 9.161 -0.867 1
1 1030 . 8 1 1 A 97 97 HIS HA H 96 4.947 5.367 -0.420 1
1 1034 . 8 1 1 A 97 97 HIS CA C 96 54.144 54.602 -0.458 1
1 1035 . 8 1 1 A 97 97 HIS CB C 96 33.344 33.497 -0.153 1
1 1036 . 8 1 1 A 97 97 HIS N N 96 119.193 124.356 -5.163 1
1 1037 . 8 1 1 A 98 98 LYS H H 97 8.582 8.301 0.281 1
1 1038 . 8 1 1 A 98 98 LYS HA H 97 4.564 4.886 -0.322 1
1 1046 . 8 1 1 A 98 98 LYS CA C 97 55.190 54.745 0.445 1
1 1047 . 8 1 1 A 98 98 LYS CB C 97 31.941 34.848 -2.907 1
1 1051 . 8 1 1 A 98 98 LYS N N 97 127.478 125.972 1.506 1
1 1052 . 8 1 1 A 99 99 CYS H H 98 8.695 8.845 -0.150 1
1 1053 . 8 1 1 A 99 99 CYS HA H 98 4.822 5.071 -0.249 1
1 1056 . 8 1 1 A 99 99 CYS CA C 98 57.391 57.654 -0.263 1
1 1057 . 8 1 1 A 99 99 CYS CB C 98 30.916 32.723 -1.807 1
1 1058 . 8 1 1 A 99 99 CYS N N 98 122.622 123.202 -0.580 1
1 1059 . 8 1 1 A 100 100 GLU H H 99 8.251 8.705 -0.454 1
1 1060 . 8 1 1 A 100 100 GLU HA H 99 4.513 4.377 0.136 1
1 1064 . 8 1 1 A 100 100 GLU CA C 99 54.674 56.648 -1.974 1
1 1065 . 8 1 1 A 100 100 GLU CB C 99 31.421 30.607 0.814 1
1 1067 . 8 1 1 A 100 100 GLU N N 99 121.252 121.578 -0.326 1
1 1068 . 8 1 1 A 101 101 LYS H H 100 8.195 9.002 -0.807 1
1 1069 . 8 1 1 A 101 101 LYS HA H 100 3.953 4.114 -0.161 1
1 1077 . 8 1 1 A 101 101 LYS CA C 100 55.042 61.415 -6.373 1
1 1078 . 8 1 1 A 101 101 LYS CB C 100 31.473 30.219 1.254 1
1 1082 . 8 1 1 A 101 101 LYS N N 100 118.588 123.731 -5.143 1
1 1083 . 8 1 1 A 102 102 PRO HA H 101 4.447 4.383 0.064 1
1 1090 . 8 1 1 A 102 102 PRO CA C 101 61.513 62.990 -1.477 1
1 1091 . 8 1 1 A 102 102 PRO CB C 101 34.073 30.721 3.352 1
1 1094 . 8 1 1 A 103 103 LEU H H 102 8.384 7.838 0.546 1
1 1095 . 8 1 1 A 103 103 LEU HA H 102 4.175 4.205 -0.030 1
1 1105 . 8 1 1 A 103 103 LEU CA C 102 52.733 53.762 -1.029 1
1 1106 . 8 1 1 A 103 103 LEU CB C 102 41.000 41.606 -0.606 1
1 1110 . 8 1 1 A 103 103 LEU N N 102 123.679 124.360 -0.681 1
1 1111 . 8 1 1 A 104 104 PRO HA H 103 4.658 4.673 -0.015 1
1 1118 . 8 1 1 A 104 104 PRO CA C 103 61.564 62.304 -0.740 1
1 1119 . 8 1 1 A 104 104 PRO CB C 103 32.310 32.840 -0.530 1
1 1122 . 8 1 1 A 105 105 ASP H H 104 8.605 8.670 -0.065 1
1 1123 . 8 1 1 A 105 105 ASP HA H 104 4.275 4.471 -0.196 1
1 1126 . 8 1 1 A 105 105 ASP CA C 104 57.659 56.425 1.234 1
1 1127 . 8 1 1 A 105 105 ASP CB C 104 40.754 40.278 0.476 1
1 1128 . 8 1 1 A 105 105 ASP N N 104 119.037 121.841 -2.804 1
1 1129 . 8 1 1 A 106 106 GLN H H 105 8.330 7.999 0.331 1
1 1130 . 8 1 1 A 106 106 GLN HA H 105 4.189 4.067 0.122 1
1 1135 . 8 1 1 A 106 106 GLN CA C 105 58.516 55.846 2.670 1
1 1136 . 8 1 1 A 106 106 GLN CB C 105 27.206 28.494 -1.288 1
1 1138 . 8 1 1 A 106 106 GLN N N 105 113.235 119.460 -6.225 1
1 1139 . 8 1 1 A 107 107 ALA H H 106 7.763 7.800 -0.037 1
1 1140 . 8 1 1 A 107 107 ALA HA H 106 4.862 3.962 0.900 1
1 1144 . 8 1 1 A 107 107 ALA CA C 106 50.856 51.583 -0.727 1
1 1145 . 8 1 1 A 107 107 ALA CB C 106 18.420 19.271 -0.851 1
1 1146 . 8 1 1 A 107 107 ALA N N 106 121.188 121.746 -0.558 1
1 1147 . 8 1 1 A 108 108 PHE H H 107 7.291 7.483 -0.192 1
1 1148 . 8 1 1 A 108 108 PHE HA H 107 4.675 4.860 -0.185 1
1 1156 . 8 1 1 A 108 108 PHE CA C 107 57.225 55.720 1.505 1
1 1157 . 8 1 1 A 108 108 PHE CB C 107 41.449 40.498 0.951 1
1 1163 . 8 1 1 A 108 108 PHE N N 107 114.254 117.204 -2.950 1
1 1164 . 8 1 1 A 109 109 PHE H H 108 9.089 9.027 0.062 1
1 1165 . 8 1 1 A 109 109 PHE HA H 108 5.216 5.236 -0.020 1
1 1173 . 8 1 1 A 109 109 PHE CA C 108 55.752 57.058 -1.306 1
1 1174 . 8 1 1 A 109 109 PHE CB C 108 41.744 40.620 1.124 1
1 1180 . 8 1 1 A 109 109 PHE N N 108 119.202 122.829 -3.627 1
1 1181 . 8 1 1 A 110 110 VAL H H 109 10.389 8.823 1.566 1
1 1182 . 8 1 1 A 110 110 VAL HA H 109 4.299 4.083 0.216 1
1 1190 . 8 1 1 A 110 110 VAL CA C 109 62.758 63.332 -0.574 1
1 1191 . 8 1 1 A 110 110 VAL CB C 109 33.099 31.275 1.824 1
1 1194 . 8 1 1 A 110 110 VAL N N 109 125.234 124.865 0.369 1
1 1195 . 8 1 1 A 111 111 LEU H H 110 8.568 8.655 -0.087 1
1 1196 . 8 1 1 A 111 111 LEU HA H 110 4.872 5.059 -0.187 1
1 1206 . 8 1 1 A 111 111 LEU CA C 110 54.077 55.436 -1.359 1
1 1207 . 8 1 1 A 111 111 LEU CB C 110 43.562 42.938 0.624 1
1 1211 . 8 1 1 A 111 111 LEU N N 110 130.826 130.265 0.561 1
1 1212 . 8 1 1 A 112 112 HIS H H 111 9.070 9.060 0.010 1
1 1213 . 8 1 1 A 112 112 HIS HA H 111 4.917 5.065 -0.148 1
1 1217 . 8 1 1 A 112 112 HIS CA C 111 54.229 54.628 -0.399 1
1 1218 . 8 1 1 A 112 112 HIS CB C 111 31.745 33.143 -1.398 1
1 1219 . 8 1 1 A 112 112 HIS N N 111 124.953 125.692 -0.739 1
1 1220 . 8 1 1 A 113 113 ASN H H 112 9.018 9.085 -0.067 1
1 1221 . 8 1 1 A 113 113 ASN HA H 112 4.912 4.694 0.218 1
1 1224 . 8 1 1 A 113 113 ASN CA C 112 54.151 53.891 0.260 1
1 1225 . 8 1 1 A 113 113 ASN CB C 112 38.868 38.844 0.024 1
1 1226 . 8 1 1 A 113 113 ASN N N 112 122.645 122.603 0.042 1
1 1227 . 8 1 1 A 114 114 MET H H 113 8.314 8.543 -0.229 1
1 1228 . 8 1 1 A 114 114 MET HA H 113 4.891 4.659 0.232 1
1 1236 . 8 1 1 A 114 114 MET CA C 113 53.171 56.470 -3.299 1
1 1237 . 8 1 1 A 114 114 MET CB C 113 32.922 34.584 -1.662 1
1 1240 . 8 1 1 A 114 114 MET N N 113 123.103 122.641 0.462 1
1 1241 . 8 1 1 A 115 115 HIS H H 114 7.453 7.498 -0.045 1
1 1242 . 8 1 1 A 115 115 HIS HA H 114 4.664 4.891 -0.227 1
1 1246 . 8 1 1 A 115 115 HIS CA C 114 55.572 54.944 0.628 1
1 1247 . 8 1 1 A 115 115 HIS CB C 114 30.856 32.897 -2.041 1
1 1248 . 8 1 1 A 115 115 HIS N N 114 115.450 114.470 0.980 1
1 1250 . 8 1 1 A 116 116 SER CB C 115 61.131 63.227 -2.096 1
1 1251 . 8 1 1 A 117 117 ASN H H 116 8.912 8.286 0.626 1
1 1252 . 8 1 1 A 117 117 ASN HA H 116 4.556 4.983 -0.427 1
1 1255 . 8 1 1 A 117 117 ASN CA C 116 54.106 52.986 1.120 1
1 1256 . 8 1 1 A 117 117 ASN CB C 116 37.615 40.045 -2.430 1
1 1257 . 8 1 1 A 117 117 ASN N N 116 113.703 116.044 -2.341 1
1 1258 . 8 1 1 A 118 118 CYS H H 117 7.532 7.522 0.010 1
1 1259 . 8 1 1 A 118 118 CYS HA H 117 5.316 5.373 -0.057 1
1 1262 . 8 1 1 A 118 118 CYS CA C 117 58.639 57.580 1.059 1
1 1263 . 8 1 1 A 118 118 CYS CB C 117 30.949 29.120 1.829 1
1 1264 . 8 1 1 A 118 118 CYS N N 117 115.213 120.787 -5.574 1
1 1265 . 8 1 1 A 119 119 VAL H H 118 9.617 9.099 0.518 1
1 1266 . 8 1 1 A 119 119 VAL HA H 118 5.397 5.139 0.258 1
1 1274 . 8 1 1 A 119 119 VAL CA C 118 58.788 59.110 -0.322 1
1 1275 . 8 1 1 A 119 119 VAL CB C 118 35.745 35.752 -0.007 1
1 1278 . 8 1 1 A 119 119 VAL N N 118 116.144 119.350 -3.206 1
1 1279 . 8 1 1 A 120 120 SER H H 119 8.578 8.864 -0.286 1
1 1280 . 8 1 1 A 120 120 SER HA H 119 5.089 5.319 -0.230 1
1 1283 . 8 1 1 A 120 120 SER CA C 119 57.311 55.915 1.396 1
1 1284 . 8 1 1 A 120 120 SER CB C 119 67.751 66.576 1.175 1
1 1285 . 8 1 1 A 120 120 SER N N 119 113.930 117.679 -3.749 1
1 1286 . 8 1 1 A 121 121 PHE H H 120 10.612 9.288 1.324 1
1 1287 . 8 1 1 A 121 121 PHE HA H 120 5.365 5.170 0.195 1
1 1294 . 8 1 1 A 121 121 PHE CA C 120 55.797 56.608 -0.811 1
1 1295 . 8 1 1 A 121 121 PHE CB C 120 41.542 40.446 1.096 1
1 1300 . 8 1 1 A 121 121 PHE N N 120 120.777 123.013 -2.236 1
1 1301 . 8 1 1 A 122 122 GLU H H 121 9.509 9.373 0.136 1
1 1302 . 8 1 1 A 122 122 GLU HA H 121 4.537 4.771 -0.234 1
1 1307 . 8 1 1 A 122 122 GLU CA C 121 53.200 56.001 -2.801 1
1 1308 . 8 1 1 A 122 122 GLU CB C 121 32.943 30.832 2.111 1
1 1310 . 8 1 1 A 122 122 GLU N N 121 126.070 126.334 -0.264 1
1 1311 . 8 1 1 A 123 123 CYS H H 122 9.405 8.931 0.474 1
1 1312 . 8 1 1 A 123 123 CYS HA H 122 4.065 4.690 -0.625 1
1 1315 . 8 1 1 A 123 123 CYS CA C 122 61.504 58.766 2.738 1
1 1316 . 8 1 1 A 123 123 CYS CB C 122 27.626 27.404 0.222 1
1 1317 . 8 1 1 A 123 123 CYS N N 122 127.122 125.585 1.537 1
1 1318 . 8 1 1 A 124 124 LYS H H 123 7.533 8.684 -1.151 1
1 1319 . 8 1 1 A 124 124 LYS HA H 123 3.831 4.057 -0.226 1
1 1326 . 8 1 1 A 124 124 LYS CA C 123 59.245 58.574 0.671 1
1 1327 . 8 1 1 A 124 124 LYS CB C 123 32.946 32.401 0.545 1
1 1331 . 8 1 1 A 124 124 LYS N N 123 125.643 126.604 -0.961 1
1 1332 . 8 1 1 A 125 125 THR H H 124 8.020 7.586 0.434 1
1 1333 . 8 1 1 A 125 125 THR HA H 124 4.216 4.379 -0.163 1
1 1338 . 8 1 1 A 125 125 THR CA C 124 61.424 62.722 -1.298 1
1 1339 . 8 1 1 A 125 125 THR CB C 124 68.505 69.714 -1.209 1
1 1341 . 8 1 1 A 125 125 THR N N 124 102.851 108.545 -5.694 1
1 1342 . 8 1 1 A 126 126 ASP H H 125 6.456 7.915 -1.459 1
1 1343 . 8 1 1 A 126 126 ASP HA H 125 5.125 5.089 0.036 1
1 1346 . 8 1 1 A 126 126 ASP CA C 125 51.060 51.561 -0.501 1
1 1347 . 8 1 1 A 126 126 ASP CB C 125 42.308 41.903 0.405 1
1 1348 . 8 1 1 A 126 126 ASP N N 125 119.891 121.588 -1.697 1
1 1349 . 8 1 1 A 127 127 PRO HA H 126 4.366 4.219 0.147 1
1 1356 . 8 1 1 A 127 127 PRO CA C 126 63.377 63.729 -0.352 1
1 1357 . 8 1 1 A 127 127 PRO CB C 126 31.816 31.689 0.127 1
1 1360 . 8 1 1 A 128 128 GLY H H 127 10.553 8.631 1.922 1
1 1361 . 8 1 1 A 128 128 GLY HA2 H 127 3.775 3.925 -0.150 1
1 1362 . 8 1 1 A 128 128 GLY HA3 H 127 4.318 3.936 0.382 1
1 1363 . 8 1 1 A 128 128 GLY CA C 127 44.954 45.365 -0.411 1
1 1364 . 8 1 1 A 128 128 GLY N N 127 113.361 111.291 2.070 1
1 1365 . 8 1 1 A 129 129 VAL H H 128 7.846 7.252 0.594 1
1 1366 . 8 1 1 A 129 129 VAL HA H 128 4.794 4.674 0.120 1
1 1374 . 8 1 1 A 129 129 VAL CA C 128 61.754 60.704 1.050 1
1 1375 . 8 1 1 A 129 129 VAL CB C 128 31.449 34.436 -2.987 1
1 1378 . 8 1 1 A 129 129 VAL N N 128 121.005 121.794 -0.789 1
1 1379 . 8 1 1 A 130 130 PHE H H 129 9.293 9.398 -0.105 1
1 1380 . 8 1 1 A 130 130 PHE HA H 129 5.819 5.470 0.349 1
1 1388 . 8 1 1 A 130 130 PHE CA C 129 55.600 56.422 -0.822 1
1 1389 . 8 1 1 A 130 130 PHE CB C 129 42.773 43.276 -0.503 1
1 1395 . 8 1 1 A 130 130 PHE N N 129 126.384 125.335 1.049 1
1 1396 . 8 1 1 A 131 131 ILE H H 130 8.555 8.800 -0.245 1
1 1397 . 8 1 1 A 131 131 ILE HA H 130 4.375 4.473 -0.098 1
1 1407 . 8 1 1 A 131 131 ILE CA C 130 63.278 61.842 1.436 1
1 1408 . 8 1 1 A 131 131 ILE CB C 130 37.850 38.400 -0.550 1
1 1412 . 8 1 1 A 131 131 ILE N N 130 118.433 124.404 -5.971 1
1 1413 . 8 1 1 A 132 132 GLY H H 131 9.225 8.502 0.723 1
1 1414 . 8 1 1 A 132 132 GLY HA2 H 131 3.693 4.299 -0.606 1
1 1415 . 8 1 1 A 132 132 GLY HA3 H 131 5.248 4.435 0.813 1
1 1416 . 8 1 1 A 132 132 GLY CA C 131 45.218 45.832 -0.614 1
1 1417 . 8 1 1 A 132 132 GLY N N 131 113.442 113.094 0.348 1
1 1418 . 8 1 1 A 133 133 VAL H H 132 8.177 8.424 -0.247 1
1 1419 . 8 1 1 A 133 133 VAL HA H 132 4.710 4.460 0.250 1
1 1427 . 8 1 1 A 133 133 VAL CA C 132 61.537 63.106 -1.569 1
1 1428 . 8 1 1 A 133 133 VAL CB C 132 33.281 31.150 2.131 1
1 1431 . 8 1 1 A 133 133 VAL N N 132 118.438 121.495 -3.057 1
1 1432 . 8 1 1 A 134 134 LYS H H 133 8.752 8.504 0.248 1
1 1433 . 8 1 1 A 134 134 LYS HA H 133 4.472 3.830 0.642 1
1 1440 . 8 1 1 A 134 134 LYS CA C 133 55.257 58.818 -3.561 1
1 1441 . 8 1 1 A 134 134 LYS CB C 133 35.500 32.730 2.770 1
1 1445 . 8 1 1 A 134 134 LYS N N 133 127.706 130.246 -2.540 1
1 1446 . 8 1 1 A 135 135 ASP H H 134 9.321 7.704 1.617 1
1 1447 . 8 1 1 A 135 135 ASP HA H 134 4.230 4.504 -0.274 1
1 1450 . 8 1 1 A 135 135 ASP CA C 134 55.965 56.171 -0.206 1
1 1451 . 8 1 1 A 135 135 ASP CB C 134 39.212 41.821 -2.609 1
1 1452 . 8 1 1 A 135 135 ASP N N 134 126.815 119.089 7.726 1
1 1453 . 8 1 1 A 136 136 ASN H H 135 8.603 7.977 0.626 1
1 1454 . 8 1 1 A 136 136 ASN HA H 135 4.380 4.972 -0.592 1
1 1457 . 8 1 1 A 136 136 ASN CA C 135 54.117 52.711 1.406 1
1 1458 . 8 1 1 A 136 136 ASN CB C 135 37.384 39.923 -2.539 1
1 1459 . 8 1 1 A 136 136 ASN N N 135 113.023 112.801 0.222 1
1 1460 . 8 1 1 A 137 137 HIS H H 136 8.112 7.425 0.687 1
1 1461 . 8 1 1 A 137 137 HIS HA H 136 5.116 5.224 -0.108 1
1 1465 . 8 1 1 A 137 137 HIS CA C 136 54.190 53.860 0.330 1
1 1466 . 8 1 1 A 137 137 HIS CB C 136 31.681 32.398 -0.717 1
1 1467 . 8 1 1 A 137 137 HIS N N 136 115.753 115.066 0.687 1
1 1468 . 8 1 1 A 138 138 LEU H H 137 8.553 8.660 -0.107 1
1 1469 . 8 1 1 A 138 138 LEU HA H 137 5.251 4.553 0.698 1
1 1479 . 8 1 1 A 138 138 LEU CA C 137 54.147 55.118 -0.971 1
1 1480 . 8 1 1 A 138 138 LEU CB C 137 42.849 42.377 0.472 1
1 1484 . 8 1 1 A 138 138 LEU N N 137 118.446 120.938 -2.492 1
1 1485 . 8 1 1 A 139 139 ALA H H 138 9.357 8.932 0.425 1
1 1486 . 8 1 1 A 139 139 ALA HA H 138 4.760 4.914 -0.154 1
1 1490 . 8 1 1 A 139 139 ALA CA C 138 51.091 51.124 -0.033 1
1 1491 . 8 1 1 A 139 139 ALA CB C 138 22.924 23.537 -0.613 1
1 1492 . 8 1 1 A 139 139 ALA N N 138 126.689 125.357 1.332 1
1 1493 . 8 1 1 A 140 140 LEU H H 139 7.287 8.693 -1.406 1
1 1494 . 8 1 1 A 140 140 LEU HA H 139 5.278 4.626 0.652 1
1 1504 . 8 1 1 A 140 140 LEU CA C 139 53.026 54.493 -1.467 1
1 1505 . 8 1 1 A 140 140 LEU CB C 139 42.025 40.858 1.167 1
1 1509 . 8 1 1 A 140 140 LEU N N 139 116.219 120.793 -4.574 1
1 1510 . 8 1 1 A 141 141 ILE H H 140 9.676 8.868 0.808 1
1 1511 . 8 1 1 A 141 141 ILE HA H 140 4.321 4.611 -0.290 1
1 1521 . 8 1 1 A 141 141 ILE CA C 140 59.331 60.950 -1.619 1
1 1522 . 8 1 1 A 141 141 ILE CB C 140 40.745 38.715 2.030 1
1 1526 . 8 1 1 A 141 141 ILE N N 140 124.052 125.567 -1.515 1
1 1527 . 8 1 1 A 142 142 LYS H H 141 8.665 8.724 -0.059 1
1 1528 . 8 1 1 A 142 142 LYS HA H 141 5.053 4.752 0.301 1
1 1534 . 8 1 1 A 142 142 LYS CA C 141 55.586 56.484 -0.898 1
1 1535 . 8 1 1 A 142 142 LYS CB C 141 32.709 32.883 -0.174 1
1 1539 . 8 1 1 A 142 142 LYS N N 141 128.856 128.559 0.297 1
1 1540 . 8 1 1 A 143 143 VAL H H 142 8.757 9.160 -0.403 1
1 1541 . 8 1 1 A 143 143 VAL HA H 142 4.223 4.762 -0.539 1
1 1549 . 8 1 1 A 143 143 VAL CA C 142 62.032 60.625 1.407 1
1 1550 . 8 1 1 A 143 143 VAL CB C 142 33.008 34.879 -1.871 1
1 1553 . 8 1 1 A 143 143 VAL N N 142 127.220 126.953 0.267 1
1 1554 . 8 1 1 A 144 144 ASP H H 143 8.595 8.796 -0.201 1
1 1555 . 8 1 1 A 144 144 ASP HA H 143 4.698 5.054 -0.356 1
1 1557 . 8 1 1 A 144 144 ASP CB C 143 41.517 42.496 -0.979 1
1 1558 . 8 1 1 A 144 144 ASP N N 143 125.250 128.228 -2.978 1
1 1559 . 8 1 1 A 145 145 SER H H 144 8.296 8.770 -0.474 1
1 1560 . 8 1 1 A 145 145 SER HA H 144 4.455 4.609 -0.154 1
1 1563 . 8 1 1 A 145 145 SER CA C 144 58.814 57.546 1.268 1
1 1564 . 8 1 1 A 145 145 SER CB C 144 63.202 62.605 0.597 1
1 1565 . 8 1 1 A 145 145 SER N N 144 116.695 119.200 -2.505 1
1 1566 . 8 1 1 A 146 146 SER H H 145 8.512 7.766 0.746 1
1 1567 . 8 1 1 A 146 146 SER HA H 145 4.393 4.613 -0.220 1
1 1570 . 8 1 1 A 146 146 SER CA C 145 59.286 58.680 0.606 1
1 1571 . 8 1 1 A 146 146 SER CB C 145 63.396 64.603 -1.207 1
1 1572 . 8 1 1 A 146 146 SER N N 145 117.509 115.930 1.579 1
1 1573 . 8 1 1 A 147 147 GLU H H 146 8.145 8.343 -0.198 1
1 1574 . 8 1 1 A 147 147 GLU HA H 146 4.351 4.277 0.074 1
1 1578 . 8 1 1 A 147 147 GLU CA C 146 56.389 56.535 -0.146 1
1 1579 . 8 1 1 A 147 147 GLU N N 146 121.023 117.458 3.565 1
1 1580 . 8 1 1 A 148 148 ASN H H 147 8.145 7.904 0.241 1
1 1581 . 8 1 1 A 148 148 ASN HA H 147 4.584 4.975 -0.391 1
1 1584 . 8 1 1 A 148 148 ASN CA C 147 53.643 52.541 1.102 1
1 1585 . 8 1 1 A 148 148 ASN CB C 147 38.423 39.801 -1.378 1
1 1586 . 8 1 1 A 148 148 ASN N N 147 118.043 117.835 0.208 1
1 1587 . 8 1 1 A 149 149 LEU H H 148 7.953 7.672 0.281 1
1 1588 . 8 1 1 A 149 149 LEU HA H 148 4.294 3.950 0.344 1
1 1598 . 8 1 1 A 149 149 LEU CA C 148 55.249 57.857 -2.608 1
1 1599 . 8 1 1 A 149 149 LEU CB C 148 42.000 41.760 0.240 1
1 1603 . 8 1 1 A 149 149 LEU N N 148 120.366 121.235 -0.869 1
1 1604 . 8 1 1 A 150 150 CYS H H 149 8.141 7.673 0.468 1
1 1605 . 8 1 1 A 150 150 CYS HA H 149 4.517 4.574 -0.057 1
1 1608 . 8 1 1 A 150 150 CYS CA C 149 57.817 57.754 0.063 1
1 1609 . 8 1 1 A 150 150 CYS CB C 149 27.529 27.356 0.173 1
1 1610 . 8 1 1 A 150 150 CYS N N 149 118.879 116.333 2.546 1
1 1611 . 8 1 1 A 151 151 THR H H 150 7.892 8.442 -0.550 1
1 1612 . 8 1 1 A 151 151 THR HA H 150 4.191 4.728 -0.537 1
1 1617 . 8 1 1 A 151 151 THR CA C 150 61.680 61.642 0.038 1
1 1618 . 8 1 1 A 151 151 THR CB C 150 68.930 70.879 -1.949 1
1 1620 . 8 1 1 A 151 151 THR N N 150 117.354 120.355 -3.001 1
1 1621 . 8 1 1 A 152 152 GLU H H 151 8.547 8.889 -0.342 1
1 1622 . 8 1 1 A 152 152 GLU HA H 151 3.600 3.875 -0.275 1
1 1627 . 8 1 1 A 152 152 GLU CA C 151 59.126 58.363 0.763 1
1 1628 . 8 1 1 A 152 152 GLU CB C 151 28.575 29.004 -0.429 1
1 1630 . 8 1 1 A 152 152 GLU N N 151 122.526 125.589 -3.063 1
1 1631 . 8 1 1 A 153 153 ASN H H 152 8.140 8.039 0.101 1
1 1632 . 8 1 1 A 153 153 ASN HA H 152 4.525 4.417 0.108 1
1 1635 . 8 1 1 A 153 153 ASN CA C 152 54.838 56.105 -1.267 1
1 1636 . 8 1 1 A 153 153 ASN CB C 152 37.230 38.523 -1.293 1
1 1637 . 8 1 1 A 153 153 ASN N N 152 113.916 118.164 -4.248 1
1 1638 . 8 1 1 A 154 154 ILE H H 153 6.885 7.066 -0.181 1
1 1639 . 8 1 1 A 154 154 ILE HA H 153 5.150 4.470 0.680 1
1 1649 . 8 1 1 A 154 154 ILE CA C 153 60.523 62.254 -1.731 1
1 1650 . 8 1 1 A 154 154 ILE CB C 153 38.399 38.138 0.261 1
1 1654 . 8 1 1 A 154 154 ILE N N 153 108.606 111.981 -3.375 1
1 1655 . 8 1 1 A 155 155 LEU H H 154 7.162 7.190 -0.028 1
1 1656 . 8 1 1 A 155 155 LEU HA H 154 4.654 4.285 0.369 1
1 1666 . 8 1 1 A 155 155 LEU CA C 154 54.179 53.965 0.214 1
1 1667 . 8 1 1 A 155 155 LEU CB C 154 43.178 40.940 2.238 1
1 1671 . 8 1 1 A 155 155 LEU N N 154 123.152 124.103 -0.951 1
1 1672 . 8 1 1 A 156 156 PHE H H 155 9.292 9.254 0.038 1
1 1673 . 8 1 1 A 156 156 PHE HA H 155 5.175 5.223 -0.048 1
1 1681 . 8 1 1 A 156 156 PHE CA C 155 56.409 56.795 -0.386 1
1 1682 . 8 1 1 A 156 156 PHE CB C 155 43.001 42.679 0.322 1
1 1688 . 8 1 1 A 156 156 PHE N N 155 119.900 124.017 -4.117 1
1 1689 . 8 1 1 A 157 157 LYS H H 156 9.195 8.916 0.279 1
1 1690 . 8 1 1 A 157 157 LYS HA H 156 4.966 5.375 -0.409 1
1 1698 . 8 1 1 A 157 157 LYS CA C 156 55.200 54.797 0.403 1
1 1699 . 8 1 1 A 157 157 LYS CB C 156 35.002 36.567 -1.565 1
1 1703 . 8 1 1 A 157 157 LYS N N 156 118.435 119.184 -0.749 1
1 1704 . 8 1 1 A 158 158 LEU H H 157 8.769 8.919 -0.150 1
1 1705 . 8 1 1 A 158 158 LEU HA H 157 5.356 5.266 0.090 1
1 1715 . 8 1 1 A 158 158 LEU CA C 157 53.173 53.462 -0.289 1
1 1716 . 8 1 1 A 158 158 LEU CB C 157 44.220 46.555 -2.335 1
1 1720 . 8 1 1 A 158 158 LEU N N 157 122.607 123.268 -0.661 1
1 1721 . 8 1 1 A 159 159 SER H H 158 8.462 8.868 -0.406 1
1 1722 . 8 1 1 A 159 159 SER HA H 158 4.854 5.033 -0.179 1
1 1724 . 8 1 1 A 159 159 SER CA C 158 57.305 57.029 0.276 1
1 1725 . 8 1 1 A 159 159 SER CB C 158 64.330 64.926 -0.596 1
1 1726 . 8 1 1 A 159 159 SER N N 158 116.051 114.938 1.113 1
1 1727 . 8 1 1 A 160 160 GLU H H 159 9.008 8.749 0.259 1
1 1728 . 8 1 1 A 160 160 GLU HA H 159 4.606 4.806 -0.200 1
1 1732 . 8 1 1 A 160 160 GLU CA C 159 56.956 55.070 1.886 1
1 1733 . 8 1 1 A 160 160 GLU CB C 159 30.452 29.849 0.603 1
1 1735 . 8 1 1 A 160 160 GLU N N 159 124.532 124.342 0.190 1
1 1 . 9 1 1 A 4 4 ILE H H 3 8.198 7.833 0.365 1
1 2 . 9 1 1 A 4 4 ILE HA H 3 4.246 4.014 0.232 1
1 12 . 9 1 1 A 4 4 ILE CA C 3 61.002 62.851 -1.849 1
1 13 . 9 1 1 A 4 4 ILE CB C 3 38.400 38.970 -0.570 1
1 17 . 9 1 1 A 4 4 ILE N N 3 121.904 121.695 0.209 1
1 18 . 9 1 1 A 5 5 THR H H 4 8.045 7.602 0.443 1
1 19 . 9 1 1 A 5 5 THR HA H 4 4.328 4.386 -0.058 1
1 24 . 9 1 1 A 5 5 THR CA C 4 61.754 61.082 0.672 1
1 25 . 9 1 1 A 5 5 THR CB C 4 69.755 70.634 -0.879 1
1 27 . 9 1 1 A 5 5 THR N N 4 117.078 111.668 5.410 1
1 28 . 9 1 1 A 6 6 GLY H H 5 8.294 8.684 -0.390 1
1 29 . 9 1 1 A 6 6 GLY HA2 H 5 3.978 3.850 0.128 1
1 30 . 9 1 1 A 6 6 GLY HA3 H 5 4.040 3.859 0.181 1
1 31 . 9 1 1 A 6 6 GLY CA C 5 45.204 45.952 -0.748 1
1 32 . 9 1 1 A 6 6 GLY N N 5 110.823 112.309 -1.486 1
1 33 . 9 1 1 A 7 7 ILE H H 6 7.850 7.762 0.088 1
1 34 . 9 1 1 A 7 7 ILE HA H 6 4.507 4.011 0.496 1
1 44 . 9 1 1 A 7 7 ILE CA C 6 61.058 61.505 -0.447 1
1 45 . 9 1 1 A 7 7 ILE CB C 6 39.405 38.087 1.318 1
1 49 . 9 1 1 A 7 7 ILE N N 6 117.894 122.363 -4.469 1
1 50 . 9 1 1 A 8 8 SER H H 7 8.484 8.768 -0.284 1
1 51 . 9 1 1 A 8 8 SER HA H 7 5.138 5.248 -0.110 1
1 54 . 9 1 1 A 8 8 SER CA C 7 55.586 55.127 0.459 1
1 55 . 9 1 1 A 8 8 SER CB C 7 63.867 64.671 -0.804 1
1 56 . 9 1 1 A 8 8 SER N N 7 119.581 119.821 -0.240 1
1 57 . 9 1 1 A 9 9 PRO HA H 8 4.070 4.283 -0.213 1
1 64 . 9 1 1 A 9 9 PRO CA C 8 62.783 62.730 0.053 1
1 65 . 9 1 1 A 9 9 PRO CB C 8 32.390 32.238 0.152 1
1 68 . 9 1 1 A 10 10 ILE H H 9 8.916 8.573 0.343 1
1 69 . 9 1 1 A 10 10 ILE HA H 9 4.231 4.185 0.046 1
1 79 . 9 1 1 A 10 10 ILE CA C 9 62.297 62.565 -0.268 1
1 80 . 9 1 1 A 10 10 ILE CB C 9 39.145 38.719 0.426 1
1 84 . 9 1 1 A 10 10 ILE N N 9 119.667 119.071 0.596 1
1 85 . 9 1 1 A 11 11 THR H H 10 7.263 7.565 -0.302 1
1 86 . 9 1 1 A 11 11 THR HA H 10 4.577 4.594 -0.017 1
1 91 . 9 1 1 A 11 11 THR CA C 10 60.889 60.936 -0.047 1
1 92 . 9 1 1 A 11 11 THR CB C 10 69.698 70.824 -1.126 1
1 94 . 9 1 1 A 11 11 THR N N 10 112.847 112.589 0.258 1
1 95 . 9 1 1 A 12 12 GLU H H 11 8.157 8.856 -0.699 1
1 96 . 9 1 1 A 12 12 GLU HA H 11 5.689 5.518 0.171 1
1 100 . 9 1 1 A 12 12 GLU CA C 11 54.700 55.253 -0.553 1
1 101 . 9 1 1 A 12 12 GLU CB C 11 33.384 33.207 0.177 1
1 103 . 9 1 1 A 12 12 GLU N N 11 122.192 127.702 -5.510 1
1 104 . 9 1 1 A 13 13 TYR H H 12 8.917 8.611 0.306 1
1 105 . 9 1 1 A 13 13 TYR HA H 12 4.919 5.123 -0.204 1
1 112 . 9 1 1 A 13 13 TYR CA C 12 56.453 56.112 0.341 1
1 113 . 9 1 1 A 13 13 TYR CB C 12 40.158 40.358 -0.200 1
1 118 . 9 1 1 A 13 13 TYR N N 12 119.678 120.838 -1.160 1
1 119 . 9 1 1 A 14 14 LEU H H 13 8.420 8.722 -0.302 1
1 120 . 9 1 1 A 14 14 LEU HA H 13 5.201 5.086 0.115 1
1 130 . 9 1 1 A 14 14 LEU CA C 13 53.778 54.064 -0.286 1
1 131 . 9 1 1 A 14 14 LEU CB C 13 43.570 43.563 0.007 1
1 135 . 9 1 1 A 14 14 LEU N N 13 121.655 121.334 0.321 1
1 136 . 9 1 1 A 15 15 ALA H H 14 9.227 8.836 0.391 1
1 137 . 9 1 1 A 15 15 ALA HA H 14 4.979 5.117 -0.138 1
1 141 . 9 1 1 A 15 15 ALA CA C 14 50.832 51.684 -0.852 1
1 142 . 9 1 1 A 15 15 ALA CB C 14 23.479 23.232 0.247 1
1 143 . 9 1 1 A 15 15 ALA N N 14 124.927 124.766 0.161 1
1 144 . 9 1 1 A 16 16 SER H H 15 9.006 8.779 0.227 1
1 145 . 9 1 1 A 16 16 SER HA H 15 5.044 5.012 0.032 1
1 148 . 9 1 1 A 16 16 SER CA C 15 57.379 56.573 0.806 1
1 149 . 9 1 1 A 16 16 SER CB C 15 64.811 64.287 0.524 1
1 150 . 9 1 1 A 16 16 SER N N 15 115.217 116.983 -1.766 1
1 151 . 9 1 1 A 17 17 LEU H H 16 9.299 8.750 0.549 1
1 152 . 9 1 1 A 17 17 LEU HA H 16 5.350 4.635 0.715 1
1 162 . 9 1 1 A 17 17 LEU CA C 16 54.150 55.194 -1.044 1
1 163 . 9 1 1 A 17 17 LEU CB C 16 45.483 42.362 3.121 1
1 167 . 9 1 1 A 17 17 LEU N N 16 125.526 126.777 -1.251 1
1 168 . 9 1 1 A 18 18 SER H H 17 9.032 9.318 -0.286 1
1 169 . 9 1 1 A 18 18 SER HA H 17 5.707 5.299 0.408 1
1 172 . 9 1 1 A 18 18 SER CA C 17 56.078 57.398 -1.320 1
1 173 . 9 1 1 A 18 18 SER CB C 17 66.504 65.308 1.196 1
1 174 . 9 1 1 A 18 18 SER N N 17 118.219 122.873 -4.654 1
1 175 . 9 1 1 A 19 19 THR H H 18 9.122 8.897 0.225 1
1 176 . 9 1 1 A 19 19 THR HA H 18 4.651 4.393 0.258 1
1 182 . 9 1 1 A 19 19 THR CA C 18 60.871 61.379 -0.508 1
1 183 . 9 1 1 A 19 19 THR CB C 18 71.214 71.037 0.177 1
1 185 . 9 1 1 A 19 19 THR N N 18 110.542 117.721 -7.179 1
1 186 . 9 1 1 A 20 20 TYR H H 19 7.890 8.947 -1.057 1
1 187 . 9 1 1 A 20 20 TYR HA H 19 3.895 4.205 -0.310 1
1 194 . 9 1 1 A 20 20 TYR CA C 19 61.228 59.866 1.362 1
1 195 . 9 1 1 A 20 20 TYR CB C 19 39.123 39.210 -0.087 1
1 200 . 9 1 1 A 20 20 TYR N N 19 119.460 123.127 -3.667 1
1 201 . 9 1 1 A 21 21 ASN H H 20 7.312 7.489 -0.177 1
1 202 . 9 1 1 A 21 21 ASN HA H 20 4.663 4.858 -0.195 1
1 205 . 9 1 1 A 21 21 ASN CA C 20 52.035 51.932 0.103 1
1 206 . 9 1 1 A 21 21 ASN CB C 20 37.228 38.406 -1.178 1
1 207 . 9 1 1 A 21 21 ASN N N 20 112.235 117.472 -5.237 1
1 208 . 9 1 1 A 22 22 ASP H H 21 7.919 7.992 -0.073 1
1 209 . 9 1 1 A 22 22 ASP HA H 21 4.210 4.116 0.094 1
1 212 . 9 1 1 A 22 22 ASP CA C 21 56.289 55.394 0.895 1
1 213 . 9 1 1 A 22 22 ASP CB C 21 38.389 39.110 -0.721 1
1 214 . 9 1 1 A 22 22 ASP N N 21 113.136 115.986 -2.850 1
1 215 . 9 1 1 A 23 23 GLN H H 22 7.621 7.205 0.416 1
1 216 . 9 1 1 A 23 23 GLN HA H 22 4.576 4.821 -0.245 1
1 221 . 9 1 1 A 23 23 GLN CA C 22 55.474 54.111 1.363 1
1 222 . 9 1 1 A 23 23 GLN CB C 22 29.609 31.142 -1.533 1
1 224 . 9 1 1 A 23 23 GLN N N 22 115.930 117.339 -1.409 1
1 225 . 9 1 1 A 24 24 SER H H 23 8.847 8.766 0.081 1
1 226 . 9 1 1 A 24 24 SER HA H 23 4.699 5.231 -0.532 1
1 229 . 9 1 1 A 24 24 SER CA C 23 59.518 57.392 2.126 1
1 230 . 9 1 1 A 24 24 SER CB C 23 64.710 66.072 -1.362 1
1 231 . 9 1 1 A 24 24 SER N N 23 118.760 117.732 1.028 1
1 232 . 9 1 1 A 25 25 ILE H H 24 7.851 8.783 -0.932 1
1 233 . 9 1 1 A 25 25 ILE HA H 24 4.685 4.603 0.082 1
1 243 . 9 1 1 A 25 25 ILE CA C 24 59.480 60.749 -1.269 1
1 244 . 9 1 1 A 25 25 ILE CB C 24 36.204 39.396 -3.192 1
1 248 . 9 1 1 A 25 25 ILE N N 24 122.951 123.452 -0.501 1
1 249 . 9 1 1 A 26 26 THR H H 25 8.865 8.681 0.184 1
1 250 . 9 1 1 A 26 26 THR HA H 25 4.615 4.976 -0.361 1
1 255 . 9 1 1 A 26 26 THR CA C 25 59.720 61.270 -1.550 1
1 256 . 9 1 1 A 26 26 THR CB C 25 70.755 70.643 0.112 1
1 258 . 9 1 1 A 26 26 THR N N 25 123.404 122.658 0.746 1
1 259 . 9 1 1 A 27 27 PHE H H 26 8.614 9.084 -0.470 1
1 260 . 9 1 1 A 27 27 PHE HA H 26 4.986 4.843 0.143 1
1 268 . 9 1 1 A 27 27 PHE CA C 26 55.673 56.189 -0.516 1
1 269 . 9 1 1 A 27 27 PHE CB C 26 40.422 40.310 0.112 1
1 275 . 9 1 1 A 27 27 PHE N N 26 120.710 125.376 -4.666 1
1 276 . 9 1 1 A 28 28 ALA H H 27 8.989 8.603 0.386 1
1 277 . 9 1 1 A 28 28 ALA HA H 27 4.719 4.916 -0.197 1
1 281 . 9 1 1 A 28 28 ALA CA C 27 51.105 50.431 0.674 1
1 282 . 9 1 1 A 28 28 ALA CB C 27 20.169 20.729 -0.560 1
1 283 . 9 1 1 A 28 28 ALA N N 27 127.571 127.927 -0.356 1
1 284 . 9 1 1 A 29 29 LEU H H 28 8.302 8.782 -0.480 1
1 285 . 9 1 1 A 29 29 LEU HA H 28 4.388 4.938 -0.550 1
1 295 . 9 1 1 A 29 29 LEU CA C 28 54.689 53.116 1.573 1
1 296 . 9 1 1 A 29 29 LEU CB C 28 42.072 43.421 -1.349 1
1 300 . 9 1 1 A 29 29 LEU N N 28 123.967 123.953 0.014 1
1 301 . 9 1 1 A 30 30 GLU H H 29 8.426 8.823 -0.397 1
1 302 . 9 1 1 A 30 30 GLU HA H 29 4.383 4.559 -0.176 1
1 306 . 9 1 1 A 30 30 GLU CA C 29 55.674 54.976 0.698 1
1 307 . 9 1 1 A 30 30 GLU CB C 29 30.616 31.461 -0.845 1
1 309 . 9 1 1 A 30 30 GLU N N 29 123.800 123.090 0.710 1
1 310 . 9 1 1 A 31 31 ASP H H 30 8.504 8.658 -0.154 1
1 311 . 9 1 1 A 31 31 ASP HA H 30 4.359 4.250 0.109 1
1 314 . 9 1 1 A 31 31 ASP CA C 30 55.650 56.627 -0.977 1
1 315 . 9 1 1 A 31 31 ASP CB C 30 39.912 40.568 -0.656 1
1 316 . 9 1 1 A 31 31 ASP N N 30 121.263 121.121 0.142 1
1 317 . 9 1 1 A 32 32 GLU H H 31 8.235 7.943 0.292 1
1 318 . 9 1 1 A 32 32 GLU HA H 31 4.039 4.392 -0.353 1
1 323 . 9 1 1 A 32 32 GLU CA C 31 56.572 55.982 0.590 1
1 324 . 9 1 1 A 32 32 GLU CB C 31 29.099 31.178 -2.079 1
1 326 . 9 1 1 A 32 32 GLU N N 31 115.284 113.187 2.097 1
1 327 . 9 1 1 A 33 33 SER H H 32 7.854 7.391 0.463 1
1 328 . 9 1 1 A 33 33 SER HA H 32 4.556 4.925 -0.369 1
1 330 . 9 1 1 A 33 33 SER CA C 32 57.848 57.354 0.494 1
1 331 . 9 1 1 A 33 33 SER CB C 32 64.080 65.084 -1.004 1
1 332 . 9 1 1 A 33 33 SER N N 32 114.403 115.315 -0.912 1
1 333 . 9 1 1 A 34 34 TYR H H 33 8.117 8.936 -0.819 1
1 334 . 9 1 1 A 34 34 TYR HA H 33 4.995 5.135 -0.140 1
1 341 . 9 1 1 A 34 34 TYR CA C 33 56.928 56.189 0.739 1
1 342 . 9 1 1 A 34 34 TYR CB C 33 39.116 41.298 -2.182 1
1 347 . 9 1 1 A 34 34 TYR N N 33 119.987 121.630 -1.643 1
1 348 . 9 1 1 A 35 35 GLU H H 34 8.466 8.627 -0.161 1
1 349 . 9 1 1 A 35 35 GLU HA H 34 4.574 5.321 -0.747 1
1 352 . 9 1 1 A 35 35 GLU CA C 34 55.417 55.367 0.050 1
1 353 . 9 1 1 A 35 35 GLU CB C 34 33.071 33.622 -0.551 1
1 355 . 9 1 1 A 35 35 GLU N N 34 120.614 122.587 -1.973 1
1 356 . 9 1 1 A 36 36 ILE H H 35 8.485 8.859 -0.374 1
1 357 . 9 1 1 A 36 36 ILE HA H 35 4.713 4.753 -0.040 1
1 367 . 9 1 1 A 36 36 ILE CA C 35 60.138 60.327 -0.189 1
1 368 . 9 1 1 A 36 36 ILE CB C 35 39.383 40.417 -1.034 1
1 372 . 9 1 1 A 36 36 ILE N N 35 121.673 123.621 -1.948 1
1 373 . 9 1 1 A 37 37 TYR H H 36 8.725 7.949 0.776 1
1 374 . 9 1 1 A 37 37 TYR HA H 36 5.148 5.617 -0.469 1
1 380 . 9 1 1 A 37 37 TYR CA C 36 55.698 55.964 -0.266 1
1 381 . 9 1 1 A 37 37 TYR CB C 36 40.866 41.651 -0.785 1
1 386 . 9 1 1 A 37 37 TYR N N 36 125.169 123.480 1.689 1
1 387 . 9 1 1 A 38 38 VAL H H 37 7.859 8.702 -0.843 1
1 388 . 9 1 1 A 38 38 VAL HA H 37 4.636 4.635 0.001 1
1 396 . 9 1 1 A 38 38 VAL CA C 37 60.937 61.505 -0.568 1
1 397 . 9 1 1 A 38 38 VAL CB C 37 32.382 32.773 -0.391 1
1 400 . 9 1 1 A 38 38 VAL N N 37 120.727 121.445 -0.718 1
1 401 . 9 1 1 A 39 39 GLU H H 38 8.885 8.912 -0.027 1
1 402 . 9 1 1 A 39 39 GLU HA H 38 4.690 4.961 -0.271 1
1 407 . 9 1 1 A 39 39 GLU CA C 38 55.174 54.617 0.557 1
1 408 . 9 1 1 A 39 39 GLU CB C 38 33.421 32.065 1.356 1
1 410 . 9 1 1 A 39 39 GLU N N 38 124.823 127.423 -2.600 1
1 411 . 9 1 1 A 40 40 ASP H H 39 8.646 8.727 -0.081 1
1 412 . 9 1 1 A 40 40 ASP HA H 39 4.721 5.291 -0.570 1
1 415 . 9 1 1 A 40 40 ASP CA C 39 54.340 52.987 1.353 1
1 416 . 9 1 1 A 40 40 ASP CB C 39 40.839 43.857 -3.018 1
1 417 . 9 1 1 A 40 40 ASP N N 39 122.400 123.388 -0.988 1
1 418 . 9 1 1 A 41 41 LEU H H 40 8.133 8.976 -0.843 1
1 419 . 9 1 1 A 41 41 LEU HA H 40 4.430 4.406 0.024 1
1 429 . 9 1 1 A 41 41 LEU CA C 40 54.553 54.862 -0.309 1
1 430 . 9 1 1 A 41 41 LEU CB C 40 42.942 41.245 1.697 1
1 434 . 9 1 1 A 41 41 LEU N N 40 122.394 126.520 -4.126 1
1 435 . 9 1 1 A 42 42 LYS H H 41 8.659 8.615 0.044 1
1 436 . 9 1 1 A 42 42 LYS HA H 41 4.357 4.355 0.002 1
1 442 . 9 1 1 A 42 42 LYS CA C 41 55.924 58.027 -2.103 1
1 443 . 9 1 1 A 42 42 LYS CB C 41 32.421 32.656 -0.235 1
1 447 . 9 1 1 A 42 42 LYS N N 41 122.920 125.613 -2.693 1
1 448 . 9 1 1 A 43 43 LYS H H 42 8.371 7.983 0.388 1
1 449 . 9 1 1 A 43 43 LYS HA H 42 4.223 4.397 -0.174 1
1 455 . 9 1 1 A 43 43 LYS CA C 42 56.924 57.819 -0.895 1
1 456 . 9 1 1 A 43 43 LYS CB C 42 32.671 33.495 -0.824 1
1 460 . 9 1 1 A 43 43 LYS N N 42 121.924 115.837 6.087 1
1 461 . 9 1 1 A 44 44 ASP H H 43 8.355 7.824 0.531 1
1 462 . 9 1 1 A 44 44 ASP HA H 43 4.556 5.128 -0.572 1
1 464 . 9 1 1 A 44 44 ASP CA C 43 54.243 53.108 1.135 1
1 465 . 9 1 1 A 44 44 ASP CB C 43 40.582 42.508 -1.926 1
1 466 . 9 1 1 A 44 44 ASP N N 43 118.485 113.722 4.763 1
1 467 . 9 1 1 A 45 45 GLU H H 44 8.011 8.864 -0.853 1
1 468 . 9 1 1 A 45 45 GLU HA H 44 4.313 4.964 -0.651 1
1 473 . 9 1 1 A 45 45 GLU CA C 44 56.362 54.870 1.492 1
1 474 . 9 1 1 A 45 45 GLU CB C 44 30.265 33.071 -2.806 1
1 476 . 9 1 1 A 45 45 GLU N N 44 119.516 124.527 -5.011 1
1 477 . 9 1 1 A 46 46 LYS H H 45 8.304 8.663 -0.359 1
1 478 . 9 1 1 A 46 46 LYS HA H 45 4.307 4.486 -0.179 1
1 485 . 9 1 1 A 46 46 LYS CA C 45 56.424 56.427 -0.003 1
1 486 . 9 1 1 A 46 46 LYS CB C 45 32.421 33.269 -0.848 1
1 490 . 9 1 1 A 46 46 LYS N N 45 121.875 123.544 -1.669 1
1 491 . 9 1 1 A 47 47 LYS H H 46 8.280 8.721 -0.441 1
1 492 . 9 1 1 A 47 47 LYS HA H 46 4.469 4.917 -0.448 1
1 498 . 9 1 1 A 47 47 LYS CA C 46 55.514 54.258 1.256 1
1 499 . 9 1 1 A 47 47 LYS CB C 46 33.264 35.904 -2.640 1
1 503 . 9 1 1 A 47 47 LYS N N 46 122.374 121.643 0.731 1
1 504 . 9 1 1 A 48 48 ASP H H 47 8.778 8.705 0.073 1
1 505 . 9 1 1 A 48 48 ASP HA H 47 4.811 5.006 -0.195 1
1 507 . 9 1 1 A 48 48 ASP CA C 47 54.357 54.111 0.246 1
1 508 . 9 1 1 A 48 48 ASP CB C 47 41.842 42.178 -0.336 1
1 509 . 9 1 1 A 48 48 ASP N N 47 122.211 121.817 0.394 1
1 510 . 9 1 1 A 49 49 LYS H H 48 8.388 8.540 -0.152 1
1 511 . 9 1 1 A 49 49 LYS HA H 48 4.593 4.884 -0.291 1
1 519 . 9 1 1 A 49 49 LYS CA C 48 55.134 55.643 -0.509 1
1 520 . 9 1 1 A 49 49 LYS CB C 48 34.993 34.328 0.665 1
1 524 . 9 1 1 A 49 49 LYS N N 48 120.889 125.029 -4.140 1
1 525 . 9 1 1 A 50 50 VAL H H 49 9.063 8.701 0.362 1
1 526 . 9 1 1 A 50 50 VAL HA H 49 4.097 4.667 -0.570 1
1 534 . 9 1 1 A 50 50 VAL CA C 49 59.275 60.482 -1.207 1
1 535 . 9 1 1 A 50 50 VAL CB C 49 33.958 34.741 -0.783 1
1 538 . 9 1 1 A 50 50 VAL N N 49 118.350 121.110 -2.760 1
1 539 . 9 1 1 A 51 51 LEU H H 50 8.238 8.745 -0.507 1
1 540 . 9 1 1 A 51 51 LEU HA H 50 4.561 4.528 0.033 1
1 550 . 9 1 1 A 51 51 LEU CA C 50 54.877 54.675 0.202 1
1 551 . 9 1 1 A 51 51 LEU CB C 50 42.481 42.534 -0.053 1
1 555 . 9 1 1 A 51 51 LEU N N 50 125.236 130.439 -5.203 1
1 556 . 9 1 1 A 52 52 LEU H H 51 9.286 9.001 0.285 1
1 557 . 9 1 1 A 52 52 LEU HA H 51 5.190 5.360 -0.170 1
1 567 . 9 1 1 A 52 52 LEU CA C 51 54.228 53.359 0.869 1
1 568 . 9 1 1 A 52 52 LEU CB C 51 42.961 43.578 -0.617 1
1 572 . 9 1 1 A 52 52 LEU N N 51 134.513 130.642 3.871 1
1 573 . 9 1 1 A 53 53 SER H H 52 7.992 8.953 -0.961 1
1 574 . 9 1 1 A 53 53 SER HA H 52 5.233 5.354 -0.121 1
1 577 . 9 1 1 A 53 53 SER CA C 52 56.869 57.199 -0.330 1
1 578 . 9 1 1 A 53 53 SER CB C 52 62.776 65.484 -2.708 1
1 579 . 9 1 1 A 53 53 SER N N 52 117.641 121.656 -4.015 1
1 580 . 9 1 1 A 54 54 TYR H H 53 8.703 9.017 -0.314 1
1 581 . 9 1 1 A 54 54 TYR HA H 53 5.611 5.363 0.248 1
1 588 . 9 1 1 A 54 54 TYR CA C 53 56.264 57.705 -1.441 1
1 589 . 9 1 1 A 54 54 TYR CB C 53 40.455 41.287 -0.832 1
1 594 . 9 1 1 A 54 54 TYR N N 53 122.503 123.794 -1.291 1
1 595 . 9 1 1 A 55 55 TYR H H 54 9.813 9.106 0.707 1
1 596 . 9 1 1 A 55 55 TYR HA H 54 4.983 5.080 -0.097 1
1 603 . 9 1 1 A 55 55 TYR CA C 54 56.465 56.297 0.168 1
1 604 . 9 1 1 A 55 55 TYR CB C 54 41.898 42.957 -1.059 1
1 609 . 9 1 1 A 55 55 TYR N N 54 120.204 120.152 0.052 1
1 610 . 9 1 1 A 56 56 GLU H H 55 8.804 8.996 -0.192 1
1 611 . 9 1 1 A 56 56 GLU HA H 55 4.913 5.126 -0.213 1
1 616 . 9 1 1 A 56 56 GLU CA C 55 55.700 54.640 1.060 1
1 617 . 9 1 1 A 56 56 GLU CB C 55 31.684 32.518 -0.834 1
1 619 . 9 1 1 A 56 56 GLU N N 55 120.472 120.967 -0.495 1
1 620 . 9 1 1 A 57 57 SER H H 56 8.580 8.917 -0.337 1
1 621 . 9 1 1 A 57 57 SER HA H 56 4.619 4.832 -0.213 1
1 624 . 9 1 1 A 57 57 SER CA C 56 57.332 56.884 0.448 1
1 625 . 9 1 1 A 57 57 SER CB C 56 64.338 64.442 -0.104 1
1 626 . 9 1 1 A 57 57 SER N N 56 117.342 117.720 -0.378 1
1 627 . 9 1 1 A 58 58 GLN H H 57 8.426 8.921 -0.495 1
1 628 . 9 1 1 A 58 58 GLN HA H 57 4.482 4.874 -0.392 1
1 632 . 9 1 1 A 58 58 GLN CA C 57 55.364 54.621 0.743 1
1 633 . 9 1 1 A 58 58 GLN CB C 57 29.603 30.448 -0.845 1
1 635 . 9 1 1 A 58 58 GLN N N 57 121.444 123.991 -2.547 1
1 636 . 9 1 1 A 59 59 HIS H H 58 8.481 9.014 -0.533 1
1 637 . 9 1 1 A 59 59 HIS HA H 58 4.862 4.800 0.062 1
1 641 . 9 1 1 A 59 59 HIS CA C 58 54.055 54.550 -0.495 1
1 642 . 9 1 1 A 59 59 HIS CB C 58 30.237 30.321 -0.084 1
1 643 . 9 1 1 A 59 59 HIS N N 58 122.199 123.601 -1.402 1
1 644 . 9 1 1 A 60 60 PRO HA H 59 4.506 4.415 0.091 1
1 650 . 9 1 1 A 60 60 PRO CA C 59 63.254 64.098 -0.844 1
1 651 . 9 1 1 A 60 60 PRO CB C 59 31.829 32.264 -0.435 1
1 654 . 9 1 1 A 62 62 ASN H H 61 8.465 8.021 0.444 1
1 655 . 9 1 1 A 62 62 ASN HA H 61 4.769 4.955 -0.186 1
1 657 . 9 1 1 A 62 62 ASN CA C 61 53.310 52.340 0.970 1
1 658 . 9 1 1 A 62 62 ASN CB C 61 38.545 39.640 -1.095 1
1 659 . 9 1 1 A 62 62 ASN N N 61 120.049 119.739 0.310 1
1 660 . 9 1 1 A 63 63 GLU H H 62 8.369 8.652 -0.283 1
1 661 . 9 1 1 A 63 63 GLU HA H 62 4.348 3.957 0.391 1
1 666 . 9 1 1 A 63 63 GLU CA C 62 56.828 57.114 -0.286 1
1 667 . 9 1 1 A 63 63 GLU CB C 62 30.044 28.290 1.754 1
1 669 . 9 1 1 A 63 63 GLU N N 62 120.260 125.399 -5.139 1
1 670 . 9 1 1 A 64 64 SER H H 63 8.254 7.935 0.319 1
1 671 . 9 1 1 A 64 64 SER HA H 63 4.494 4.736 -0.242 1
1 674 . 9 1 1 A 64 64 SER CA C 63 58.213 56.904 1.309 1
1 675 . 9 1 1 A 64 64 SER CB C 63 63.799 63.562 0.237 1
1 676 . 9 1 1 A 64 64 SER N N 63 115.291 116.163 -0.872 1
1 677 . 9 1 1 A 65 65 GLY H H 64 8.294 8.207 0.087 1
1 678 . 9 1 1 A 65 65 GLY HA2 H 64 4.001 4.158 -0.157 1
1 679 . 9 1 1 A 65 65 GLY CA C 64 45.306 44.865 0.441 1
1 680 . 9 1 1 A 65 65 GLY N N 64 110.364 113.065 -2.701 1
1 681 . 9 1 1 A 66 66 ASP H H 65 8.227 8.836 -0.609 1
1 682 . 9 1 1 A 66 66 ASP HA H 65 4.664 4.332 0.332 1
1 684 . 9 1 1 A 66 66 ASP CA C 65 54.180 54.790 -0.610 1
1 685 . 9 1 1 A 66 66 ASP CB C 65 41.160 39.324 1.836 1
1 686 . 9 1 1 A 66 66 ASP N N 65 119.894 122.731 -2.837 1
1 687 . 9 1 1 A 67 67 GLY H H 66 8.379 8.275 0.104 1
1 688 . 9 1 1 A 67 67 GLY HA2 H 66 3.997 4.228 -0.231 1
1 689 . 9 1 1 A 67 67 GLY CA C 66 45.216 45.978 -0.762 1
1 690 . 9 1 1 A 67 67 GLY N N 66 108.939 110.337 -1.398 1
1 691 . 9 1 1 A 68 68 VAL H H 67 8.008 8.270 -0.262 1
1 692 . 9 1 1 A 68 68 VAL HA H 67 4.164 3.941 0.223 1
1 700 . 9 1 1 A 68 68 VAL CA C 67 62.133 63.920 -1.787 1
1 701 . 9 1 1 A 68 68 VAL CB C 67 32.509 32.875 -0.366 1
1 704 . 9 1 1 A 68 68 VAL N N 67 118.651 120.128 -1.477 1
1 705 . 9 1 1 A 69 69 ASP H H 68 8.441 8.011 0.430 1
1 706 . 9 1 1 A 69 69 ASP HA H 68 4.664 4.329 0.335 1
1 709 . 9 1 1 A 69 69 ASP CA C 68 54.211 54.946 -0.735 1
1 710 . 9 1 1 A 69 69 ASP CB C 68 40.995 39.252 1.743 1
1 711 . 9 1 1 A 69 69 ASP N N 68 122.953 120.297 2.656 1
1 712 . 9 1 1 A 70 70 GLY H H 69 8.231 8.244 -0.013 1
1 713 . 9 1 1 A 70 70 GLY HA2 H 69 3.980 4.146 -0.166 1
1 714 . 9 1 1 A 70 70 GLY CA C 69 45.347 45.736 -0.389 1
1 715 . 9 1 1 A 70 70 GLY N N 69 108.501 110.308 -1.807 1
1 716 . 9 1 1 A 71 71 LYS H H 70 8.097 7.624 0.473 1
1 717 . 9 1 1 A 71 71 LYS HA H 70 4.552 4.396 0.156 1
1 725 . 9 1 1 A 71 71 LYS CA C 70 55.514 56.309 -0.795 1
1 726 . 9 1 1 A 71 71 LYS CB C 70 33.267 33.014 0.253 1
1 730 . 9 1 1 A 71 71 LYS N N 70 120.089 118.087 2.002 1
1 731 . 9 1 1 A 72 72 MET H H 71 8.485 8.468 0.017 1
1 732 . 9 1 1 A 72 72 MET HA H 71 4.622 4.508 0.114 1
1 740 . 9 1 1 A 72 72 MET CA C 71 54.810 55.338 -0.528 1
1 741 . 9 1 1 A 72 72 MET CB C 71 34.060 32.977 1.083 1
1 744 . 9 1 1 A 72 72 MET N N 71 121.815 120.855 0.960 1
1 745 . 9 1 1 A 73 73 LEU H H 72 8.792 8.869 -0.077 1
1 746 . 9 1 1 A 73 73 LEU HA H 72 5.140 4.988 0.152 1
1 756 . 9 1 1 A 73 73 LEU CA C 72 53.671 53.877 -0.206 1
1 757 . 9 1 1 A 73 73 LEU CB C 72 44.258 42.478 1.780 1
1 761 . 9 1 1 A 73 73 LEU N N 72 124.871 125.457 -0.586 1
1 762 . 9 1 1 A 74 74 MET H H 73 9.089 8.763 0.326 1
1 763 . 9 1 1 A 74 74 MET HA H 73 5.741 5.100 0.641 1
1 770 . 9 1 1 A 74 74 MET CA C 73 53.328 55.016 -1.688 1
1 771 . 9 1 1 A 74 74 MET CB C 73 36.526 34.490 2.036 1
1 774 . 9 1 1 A 74 74 MET N N 73 119.200 124.227 -5.027 1
1 775 . 9 1 1 A 75 75 VAL H H 74 10.046 8.877 1.169 1
1 776 . 9 1 1 A 75 75 VAL HA H 74 6.298 5.168 1.130 1
1 784 . 9 1 1 A 75 75 VAL CA C 74 58.377 60.137 -1.760 1
1 785 . 9 1 1 A 75 75 VAL CB C 74 36.528 35.613 0.915 1
1 788 . 9 1 1 A 75 75 VAL N N 74 116.505 119.985 -3.480 1
1 789 . 9 1 1 A 76 76 THR H H 75 8.519 9.127 -0.608 1
1 790 . 9 1 1 A 76 76 THR HA H 75 4.978 5.488 -0.510 1
1 795 . 9 1 1 A 76 76 THR CA C 75 59.451 60.271 -0.820 1
1 796 . 9 1 1 A 76 76 THR CB C 75 71.755 71.381 0.374 1
1 798 . 9 1 1 A 76 76 THR N N 75 111.166 119.205 -8.039 1
1 799 . 9 1 1 A 77 77 LEU H H 76 10.195 9.225 0.970 1
1 800 . 9 1 1 A 77 77 LEU HA H 76 5.175 5.412 -0.237 1
1 810 . 9 1 1 A 77 77 LEU CA C 76 55.214 53.516 1.698 1
1 811 . 9 1 1 A 77 77 LEU CB C 76 45.718 43.949 1.769 1
1 815 . 9 1 1 A 77 77 LEU N N 76 121.235 126.787 -5.552 1
1 816 . 9 1 1 A 78 78 SER H H 77 8.596 8.635 -0.039 1
1 817 . 9 1 1 A 78 78 SER HA H 77 5.427 4.759 0.668 1
1 821 . 9 1 1 A 78 78 SER CA C 77 52.060 55.927 -3.867 1
1 822 . 9 1 1 A 78 78 SER CB C 77 63.768 63.720 0.048 1
1 823 . 9 1 1 A 78 78 SER N N 77 116.108 117.529 -1.421 1
1 824 . 9 1 1 A 79 79 PRO HA H 78 4.257 4.221 0.036 1
1 831 . 9 1 1 A 79 79 PRO CA C 78 62.972 64.394 -1.422 1
1 832 . 9 1 1 A 79 79 PRO CB C 78 31.667 31.572 0.095 1
1 835 . 9 1 1 A 80 80 THR H H 79 6.796 7.317 -0.521 1
1 836 . 9 1 1 A 80 80 THR HA H 79 4.204 4.652 -0.448 1
1 842 . 9 1 1 A 80 80 THR CA C 79 60.016 60.312 -0.296 1
1 843 . 9 1 1 A 80 80 THR CB C 79 68.509 70.081 -1.572 1
1 845 . 9 1 1 A 80 80 THR N N 79 110.183 108.218 1.965 1
1 846 . 9 1 1 A 81 81 LYS H H 80 7.638 8.619 -0.981 1
1 847 . 9 1 1 A 81 81 LYS HA H 80 3.744 4.035 -0.291 1
1 853 . 9 1 1 A 81 81 LYS CA C 80 58.578 58.738 -0.160 1
1 854 . 9 1 1 A 81 81 LYS CB C 80 32.325 32.219 0.106 1
1 858 . 9 1 1 A 81 81 LYS N N 80 124.973 120.121 4.852 1
1 859 . 9 1 1 A 82 82 ASP H H 81 8.255 7.634 0.621 1
1 860 . 9 1 1 A 82 82 ASP HA H 81 4.277 3.899 0.378 1
1 863 . 9 1 1 A 82 82 ASP CA C 81 57.378 55.443 1.935 1
1 864 . 9 1 1 A 82 82 ASP CB C 81 39.348 40.968 -1.620 1
1 865 . 9 1 1 A 82 82 ASP N N 81 117.344 116.632 0.712 1
1 866 . 9 1 1 A 83 83 PHE H H 82 7.880 7.258 0.622 1
1 867 . 9 1 1 A 83 83 PHE HA H 82 5.243 4.344 0.899 1
1 875 . 9 1 1 A 83 83 PHE CA C 82 56.927 59.583 -2.656 1
1 876 . 9 1 1 A 83 83 PHE CB C 82 41.679 39.552 2.127 1
1 881 . 9 1 1 A 83 83 PHE N N 82 115.687 118.177 -2.490 1
1 882 . 9 1 1 A 84 84 TRP H H 83 8.718 9.057 -0.339 1
1 883 . 9 1 1 A 84 84 TRP HA H 83 5.445 5.107 0.338 1
1 892 . 9 1 1 A 84 84 TRP CA C 83 57.105 56.255 0.850 1
1 893 . 9 1 1 A 84 84 TRP CB C 83 33.602 32.538 1.064 1
1 898 . 9 1 1 A 84 84 TRP N N 83 119.999 124.108 -4.109 1
1 900 . 9 1 1 A 85 85 LEU H H 84 8.738 8.208 0.530 1
1 901 . 9 1 1 A 85 85 LEU HA H 84 4.802 4.914 -0.112 1
1 911 . 9 1 1 A 85 85 LEU CA C 84 56.224 54.414 1.810 1
1 912 . 9 1 1 A 85 85 LEU CB C 84 42.532 42.943 -0.411 1
1 916 . 9 1 1 A 85 85 LEU N N 84 123.889 122.748 1.141 1
1 917 . 9 1 1 A 86 86 HIS H H 85 9.563 9.316 0.247 1
1 918 . 9 1 1 A 86 86 HIS HA H 85 5.027 5.211 -0.184 1
1 923 . 9 1 1 A 86 86 HIS CA C 85 54.704 54.746 -0.042 1
1 924 . 9 1 1 A 86 86 HIS CB C 85 33.214 33.343 -0.129 1
1 926 . 9 1 1 A 86 86 HIS N N 85 121.782 121.913 -0.131 1
1 927 . 9 1 1 A 87 87 ALA H H 86 8.544 8.817 -0.273 1
1 928 . 9 1 1 A 87 87 ALA HA H 86 4.614 4.569 0.045 1
1 932 . 9 1 1 A 87 87 ALA CA C 86 52.098 51.559 0.539 1
1 933 . 9 1 1 A 87 87 ALA CB C 86 20.690 19.491 1.199 1
1 934 . 9 1 1 A 87 87 ALA N N 86 125.230 125.713 -0.483 1
1 935 . 9 1 1 A 88 88 ASN H H 87 8.846 8.788 0.058 1
1 936 . 9 1 1 A 88 88 ASN HA H 87 4.862 4.696 0.166 1
1 939 . 9 1 1 A 88 88 ASN CA C 87 51.444 52.491 -1.047 1
1 940 . 9 1 1 A 88 88 ASN CB C 87 37.171 38.080 -0.909 1
1 941 . 9 1 1 A 88 88 ASN N N 87 121.260 123.217 -1.957 1
1 942 . 9 1 1 A 89 89 ASN H H 88 8.638 8.384 0.254 1
1 943 . 9 1 1 A 89 89 ASN HA H 88 4.284 4.246 0.038 1
1 946 . 9 1 1 A 89 89 ASN CA C 88 55.788 55.416 0.372 1
1 947 . 9 1 1 A 89 89 ASN CB C 88 37.818 37.252 0.566 1
1 948 . 9 1 1 A 89 89 ASN N N 88 121.570 124.090 -2.520 1
1 949 . 9 1 1 A 90 90 LYS H H 89 8.196 7.798 0.398 1
1 950 . 9 1 1 A 90 90 LYS HA H 89 4.101 4.026 0.075 1
1 957 . 9 1 1 A 90 90 LYS CA C 89 58.402 58.933 -0.531 1
1 958 . 9 1 1 A 90 90 LYS CB C 89 32.018 32.421 -0.403 1
1 962 . 9 1 1 A 90 90 LYS N N 89 119.566 118.120 1.446 1
1 963 . 9 1 1 A 91 91 GLU H H 90 6.917 7.536 -0.619 1
1 964 . 9 1 1 A 91 91 GLU HA H 90 4.378 4.622 -0.244 1
1 969 . 9 1 1 A 91 91 GLU CA C 90 54.864 55.489 -0.625 1
1 970 . 9 1 1 A 91 91 GLU CB C 90 29.597 31.119 -1.522 1
1 972 . 9 1 1 A 91 91 GLU N N 90 114.145 116.334 -2.189 1
1 973 . 9 1 1 A 92 92 HIS H H 91 7.738 7.841 -0.103 1
1 974 . 9 1 1 A 92 92 HIS HA H 91 4.181 4.221 -0.040 1
1 978 . 9 1 1 A 92 92 HIS CA C 91 57.189 56.837 0.352 1
1 979 . 9 1 1 A 92 92 HIS CB C 91 26.154 26.719 -0.565 1
1 980 . 9 1 1 A 92 92 HIS N N 91 115.238 116.321 -1.083 1
1 981 . 9 1 1 A 93 93 SER H H 92 8.415 7.468 0.947 1
1 982 . 9 1 1 A 93 93 SER HA H 92 5.185 5.090 0.095 1
1 985 . 9 1 1 A 93 93 SER CA C 92 56.374 57.794 -1.420 1
1 986 . 9 1 1 A 93 93 SER CB C 92 67.005 67.629 -0.624 1
1 987 . 9 1 1 A 93 93 SER N N 92 113.966 113.397 0.569 1
1 988 . 9 1 1 A 94 94 VAL H H 93 8.251 8.769 -0.518 1
1 989 . 9 1 1 A 94 94 VAL HA H 93 4.868 4.969 -0.101 1
1 997 . 9 1 1 A 94 94 VAL CA C 93 60.478 61.542 -1.064 1
1 998 . 9 1 1 A 94 94 VAL CB C 93 33.120 32.853 0.267 1
1 1001 . 9 1 1 A 94 94 VAL N N 93 116.256 122.187 -5.931 1
1 1002 . 9 1 1 A 95 95 GLU H H 94 8.904 9.107 -0.203 1
1 1003 . 9 1 1 A 95 95 GLU HA H 94 4.878 5.048 -0.170 1
1 1008 . 9 1 1 A 95 95 GLU CA C 94 53.455 54.649 -1.194 1
1 1009 . 9 1 1 A 95 95 GLU CB C 94 34.430 33.927 0.503 1
1 1011 . 9 1 1 A 95 95 GLU N N 94 122.142 126.164 -4.022 1
1 1012 . 9 1 1 A 96 96 LEU H H 95 8.237 8.353 -0.116 1
1 1013 . 9 1 1 A 96 96 LEU HA H 95 4.974 5.359 -0.385 1
1 1023 . 9 1 1 A 96 96 LEU CA C 95 53.731 53.880 -0.149 1
1 1024 . 9 1 1 A 96 96 LEU CB C 95 43.478 42.208 1.270 1
1 1028 . 9 1 1 A 96 96 LEU N N 95 121.305 123.073 -1.768 1
1 1029 . 9 1 1 A 97 97 HIS H H 96 8.294 9.548 -1.254 1
1 1030 . 9 1 1 A 97 97 HIS HA H 96 4.947 5.266 -0.319 1
1 1034 . 9 1 1 A 97 97 HIS CA C 96 54.144 54.515 -0.371 1
1 1035 . 9 1 1 A 97 97 HIS CB C 96 33.344 33.845 -0.501 1
1 1036 . 9 1 1 A 97 97 HIS N N 96 119.193 121.941 -2.748 1
1 1037 . 9 1 1 A 98 98 LYS H H 97 8.582 9.117 -0.535 1
1 1038 . 9 1 1 A 98 98 LYS HA H 97 4.564 4.770 -0.206 1
1 1046 . 9 1 1 A 98 98 LYS CA C 97 55.190 55.054 0.136 1
1 1047 . 9 1 1 A 98 98 LYS CB C 97 31.941 33.349 -1.408 1
1 1051 . 9 1 1 A 98 98 LYS N N 97 127.478 123.739 3.739 1
1 1052 . 9 1 1 A 99 99 CYS H H 98 8.695 8.581 0.114 1
1 1053 . 9 1 1 A 99 99 CYS HA H 98 4.822 4.866 -0.044 1
1 1056 . 9 1 1 A 99 99 CYS CA C 98 57.391 57.931 -0.540 1
1 1057 . 9 1 1 A 99 99 CYS CB C 98 30.916 30.484 0.432 1
1 1058 . 9 1 1 A 99 99 CYS N N 98 122.622 125.821 -3.199 1
1 1059 . 9 1 1 A 100 100 GLU H H 99 8.251 8.648 -0.397 1
1 1060 . 9 1 1 A 100 100 GLU HA H 99 4.513 4.376 0.137 1
1 1064 . 9 1 1 A 100 100 GLU CA C 99 54.674 56.647 -1.973 1
1 1065 . 9 1 1 A 100 100 GLU CB C 99 31.421 30.669 0.752 1
1 1067 . 9 1 1 A 100 100 GLU N N 99 121.252 121.851 -0.599 1
1 1068 . 9 1 1 A 101 101 LYS H H 100 8.195 9.003 -0.808 1
1 1069 . 9 1 1 A 101 101 LYS HA H 100 3.953 4.115 -0.162 1
1 1077 . 9 1 1 A 101 101 LYS CA C 100 55.042 61.415 -6.373 1
1 1078 . 9 1 1 A 101 101 LYS CB C 100 31.473 30.310 1.163 1
1 1082 . 9 1 1 A 101 101 LYS N N 100 118.588 123.731 -5.143 1
1 1083 . 9 1 1 A 102 102 PRO HA H 101 4.447 4.376 0.071 1
1 1090 . 9 1 1 A 102 102 PRO CA C 101 61.513 62.535 -1.022 1
1 1091 . 9 1 1 A 102 102 PRO CB C 101 34.073 30.366 3.707 1
1 1094 . 9 1 1 A 103 103 LEU H H 102 8.384 7.774 0.610 1
1 1095 . 9 1 1 A 103 103 LEU HA H 102 4.175 4.175 0.000 1
1 1105 . 9 1 1 A 103 103 LEU CA C 102 52.733 53.704 -0.971 1
1 1106 . 9 1 1 A 103 103 LEU CB C 102 41.000 41.565 -0.565 1
1 1110 . 9 1 1 A 103 103 LEU N N 102 123.679 124.447 -0.768 1
1 1111 . 9 1 1 A 104 104 PRO HA H 103 4.658 4.683 -0.025 1
1 1118 . 9 1 1 A 104 104 PRO CA C 103 61.564 61.993 -0.429 1
1 1119 . 9 1 1 A 104 104 PRO CB C 103 32.310 32.963 -0.653 1
1 1122 . 9 1 1 A 105 105 ASP H H 104 8.605 8.692 -0.087 1
1 1123 . 9 1 1 A 105 105 ASP HA H 104 4.275 4.470 -0.195 1
1 1126 . 9 1 1 A 105 105 ASP CA C 104 57.659 56.499 1.160 1
1 1127 . 9 1 1 A 105 105 ASP CB C 104 40.754 40.374 0.380 1
1 1128 . 9 1 1 A 105 105 ASP N N 104 119.037 121.556 -2.519 1
1 1129 . 9 1 1 A 106 106 GLN H H 105 8.330 7.818 0.512 1
1 1130 . 9 1 1 A 106 106 GLN HA H 105 4.189 4.062 0.127 1
1 1135 . 9 1 1 A 106 106 GLN CA C 105 58.516 56.544 1.972 1
1 1136 . 9 1 1 A 106 106 GLN CB C 105 27.206 28.594 -1.388 1
1 1138 . 9 1 1 A 106 106 GLN N N 105 113.235 117.079 -3.844 1
1 1139 . 9 1 1 A 107 107 ALA H H 106 7.763 7.563 0.200 1
1 1140 . 9 1 1 A 107 107 ALA HA H 106 4.862 3.935 0.927 1
1 1144 . 9 1 1 A 107 107 ALA CA C 106 50.856 52.480 -1.624 1
1 1145 . 9 1 1 A 107 107 ALA CB C 106 18.420 19.449 -1.029 1
1 1146 . 9 1 1 A 107 107 ALA N N 106 121.188 121.460 -0.272 1
1 1147 . 9 1 1 A 108 108 PHE H H 107 7.291 7.567 -0.276 1
1 1148 . 9 1 1 A 108 108 PHE HA H 107 4.675 4.857 -0.182 1
1 1156 . 9 1 1 A 108 108 PHE CA C 107 57.225 56.304 0.921 1
1 1157 . 9 1 1 A 108 108 PHE CB C 107 41.449 39.555 1.894 1
1 1163 . 9 1 1 A 108 108 PHE N N 107 114.254 116.002 -1.748 1
1 1164 . 9 1 1 A 109 109 PHE H H 108 9.089 9.177 -0.088 1
1 1165 . 9 1 1 A 109 109 PHE HA H 108 5.216 5.168 0.048 1
1 1173 . 9 1 1 A 109 109 PHE CA C 108 55.752 56.783 -1.031 1
1 1174 . 9 1 1 A 109 109 PHE CB C 108 41.744 41.608 0.136 1
1 1180 . 9 1 1 A 109 109 PHE N N 108 119.202 122.637 -3.435 1
1 1181 . 9 1 1 A 110 110 VAL H H 109 10.389 8.929 1.460 1
1 1182 . 9 1 1 A 110 110 VAL HA H 109 4.299 4.314 -0.015 1
1 1190 . 9 1 1 A 110 110 VAL CA C 109 62.758 63.069 -0.311 1
1 1191 . 9 1 1 A 110 110 VAL CB C 109 33.099 32.023 1.076 1
1 1194 . 9 1 1 A 110 110 VAL N N 109 125.234 124.340 0.894 1
1 1195 . 9 1 1 A 111 111 LEU H H 110 8.568 8.347 0.221 1
1 1196 . 9 1 1 A 111 111 LEU HA H 110 4.872 4.836 0.036 1
1 1206 . 9 1 1 A 111 111 LEU CA C 110 54.077 55.493 -1.416 1
1 1207 . 9 1 1 A 111 111 LEU CB C 110 43.562 42.686 0.876 1
1 1211 . 9 1 1 A 111 111 LEU N N 110 130.826 130.408 0.418 1
1 1212 . 9 1 1 A 112 112 HIS H H 111 9.070 8.928 0.142 1
1 1213 . 9 1 1 A 112 112 HIS HA H 111 4.917 5.052 -0.135 1
1 1217 . 9 1 1 A 112 112 HIS CA C 111 54.229 54.343 -0.114 1
1 1218 . 9 1 1 A 112 112 HIS CB C 111 31.745 33.303 -1.558 1
1 1219 . 9 1 1 A 112 112 HIS N N 111 124.953 125.303 -0.350 1
1 1220 . 9 1 1 A 113 113 ASN H H 112 9.018 8.921 0.097 1
1 1221 . 9 1 1 A 113 113 ASN HA H 112 4.912 4.842 0.070 1
1 1224 . 9 1 1 A 113 113 ASN CA C 112 54.151 53.264 0.887 1
1 1225 . 9 1 1 A 113 113 ASN CB C 112 38.868 38.870 -0.002 1
1 1226 . 9 1 1 A 113 113 ASN N N 112 122.645 119.688 2.957 1
1 1227 . 9 1 1 A 114 114 MET H H 113 8.314 8.620 -0.306 1
1 1228 . 9 1 1 A 114 114 MET HA H 113 4.891 4.613 0.278 1
1 1236 . 9 1 1 A 114 114 MET CA C 113 53.171 56.463 -3.292 1
1 1237 . 9 1 1 A 114 114 MET CB C 113 32.922 34.643 -1.721 1
1 1240 . 9 1 1 A 114 114 MET N N 113 123.103 121.412 1.691 1
1 1241 . 9 1 1 A 115 115 HIS H H 114 7.453 7.749 -0.296 1
1 1242 . 9 1 1 A 115 115 HIS HA H 114 4.664 4.911 -0.247 1
1 1246 . 9 1 1 A 115 115 HIS CA C 114 55.572 54.892 0.680 1
1 1247 . 9 1 1 A 115 115 HIS CB C 114 30.856 32.049 -1.193 1
1 1248 . 9 1 1 A 115 115 HIS N N 114 115.450 114.638 0.812 1
1 1250 . 9 1 1 A 116 116 SER CB C 115 61.131 63.227 -2.096 1
1 1251 . 9 1 1 A 117 117 ASN H H 116 8.912 8.105 0.807 1
1 1252 . 9 1 1 A 117 117 ASN HA H 116 4.556 4.896 -0.340 1
1 1255 . 9 1 1 A 117 117 ASN CA C 116 54.106 52.316 1.790 1
1 1256 . 9 1 1 A 117 117 ASN CB C 116 37.615 39.699 -2.084 1
1 1257 . 9 1 1 A 117 117 ASN N N 116 113.703 113.420 0.283 1
1 1258 . 9 1 1 A 118 118 CYS H H 117 7.532 7.634 -0.102 1
1 1259 . 9 1 1 A 118 118 CYS HA H 117 5.316 5.401 -0.085 1
1 1262 . 9 1 1 A 118 118 CYS CA C 117 58.639 57.929 0.710 1
1 1263 . 9 1 1 A 118 118 CYS CB C 117 30.949 29.430 1.519 1
1 1264 . 9 1 1 A 118 118 CYS N N 117 115.213 118.704 -3.491 1
1 1265 . 9 1 1 A 119 119 VAL H H 118 9.617 9.079 0.538 1
1 1266 . 9 1 1 A 119 119 VAL HA H 118 5.397 5.077 0.320 1
1 1274 . 9 1 1 A 119 119 VAL CA C 118 58.788 59.047 -0.259 1
1 1275 . 9 1 1 A 119 119 VAL CB C 118 35.745 36.171 -0.426 1
1 1278 . 9 1 1 A 119 119 VAL N N 118 116.144 118.655 -2.511 1
1 1279 . 9 1 1 A 120 120 SER H H 119 8.578 8.937 -0.359 1
1 1280 . 9 1 1 A 120 120 SER HA H 119 5.089 5.412 -0.323 1
1 1283 . 9 1 1 A 120 120 SER CA C 119 57.311 56.084 1.227 1
1 1284 . 9 1 1 A 120 120 SER CB C 119 67.751 66.333 1.418 1
1 1285 . 9 1 1 A 120 120 SER N N 119 113.930 115.198 -1.268 1
1 1286 . 9 1 1 A 121 121 PHE H H 120 10.612 9.242 1.370 1
1 1287 . 9 1 1 A 121 121 PHE HA H 120 5.365 5.172 0.193 1
1 1294 . 9 1 1 A 121 121 PHE CA C 120 55.797 56.533 -0.736 1
1 1295 . 9 1 1 A 121 121 PHE CB C 120 41.542 39.219 2.323 1
1 1300 . 9 1 1 A 121 121 PHE N N 120 120.777 121.462 -0.685 1
1 1301 . 9 1 1 A 122 122 GLU H H 121 9.509 9.248 0.261 1
1 1302 . 9 1 1 A 122 122 GLU HA H 121 4.537 5.109 -0.572 1
1 1307 . 9 1 1 A 122 122 GLU CA C 121 53.200 56.423 -3.223 1
1 1308 . 9 1 1 A 122 122 GLU CB C 121 32.943 30.956 1.987 1
1 1310 . 9 1 1 A 122 122 GLU N N 121 126.070 126.098 -0.028 1
1 1311 . 9 1 1 A 123 123 CYS H H 122 9.405 9.090 0.315 1
1 1312 . 9 1 1 A 123 123 CYS HA H 122 4.065 4.797 -0.732 1
1 1315 . 9 1 1 A 123 123 CYS CA C 122 61.504 58.961 2.543 1
1 1316 . 9 1 1 A 123 123 CYS CB C 122 27.626 27.443 0.183 1
1 1317 . 9 1 1 A 123 123 CYS N N 122 127.122 125.821 1.301 1
1 1318 . 9 1 1 A 124 124 LYS H H 123 7.533 8.691 -1.158 1
1 1319 . 9 1 1 A 124 124 LYS HA H 123 3.831 4.003 -0.172 1
1 1326 . 9 1 1 A 124 124 LYS CA C 123 59.245 58.969 0.276 1
1 1327 . 9 1 1 A 124 124 LYS CB C 123 32.946 32.367 0.579 1
1 1331 . 9 1 1 A 124 124 LYS N N 123 125.643 126.329 -0.686 1
1 1332 . 9 1 1 A 125 125 THR H H 124 8.020 7.637 0.383 1
1 1333 . 9 1 1 A 125 125 THR HA H 124 4.216 4.257 -0.041 1
1 1338 . 9 1 1 A 125 125 THR CA C 124 61.424 63.197 -1.773 1
1 1339 . 9 1 1 A 125 125 THR CB C 124 68.505 69.100 -0.595 1
1 1341 . 9 1 1 A 125 125 THR N N 124 102.851 109.356 -6.505 1
1 1342 . 9 1 1 A 126 126 ASP H H 125 6.456 7.982 -1.526 1
1 1343 . 9 1 1 A 126 126 ASP HA H 125 5.125 5.063 0.062 1
1 1346 . 9 1 1 A 126 126 ASP CA C 125 51.060 51.306 -0.246 1
1 1347 . 9 1 1 A 126 126 ASP CB C 125 42.308 41.379 0.929 1
1 1348 . 9 1 1 A 126 126 ASP N N 125 119.891 121.046 -1.155 1
1 1349 . 9 1 1 A 127 127 PRO HA H 126 4.366 4.286 0.080 1
1 1356 . 9 1 1 A 127 127 PRO CA C 126 63.377 63.676 -0.299 1
1 1357 . 9 1 1 A 127 127 PRO CB C 126 31.816 31.351 0.465 1
1 1360 . 9 1 1 A 128 128 GLY H H 127 10.553 8.729 1.824 1
1 1361 . 9 1 1 A 128 128 GLY HA2 H 127 3.775 3.734 0.041 1
1 1362 . 9 1 1 A 128 128 GLY HA3 H 127 4.318 3.785 0.533 1
1 1363 . 9 1 1 A 128 128 GLY CA C 127 44.954 45.018 -0.064 1
1 1364 . 9 1 1 A 128 128 GLY N N 127 113.361 112.367 0.994 1
1 1365 . 9 1 1 A 129 129 VAL H H 128 7.846 7.058 0.788 1
1 1366 . 9 1 1 A 129 129 VAL HA H 128 4.794 4.111 0.683 1
1 1374 . 9 1 1 A 129 129 VAL CA C 128 61.754 59.870 1.884 1
1 1375 . 9 1 1 A 129 129 VAL CB C 128 31.449 33.703 -2.254 1
1 1378 . 9 1 1 A 129 129 VAL N N 128 121.005 121.263 -0.258 1
1 1379 . 9 1 1 A 130 130 PHE H H 129 9.293 8.994 0.299 1
1 1380 . 9 1 1 A 130 130 PHE HA H 129 5.819 5.528 0.291 1
1 1388 . 9 1 1 A 130 130 PHE CA C 129 55.600 56.512 -0.912 1
1 1389 . 9 1 1 A 130 130 PHE CB C 129 42.773 43.841 -1.068 1
1 1395 . 9 1 1 A 130 130 PHE N N 129 126.384 125.482 0.902 1
1 1396 . 9 1 1 A 131 131 ILE H H 130 8.555 8.791 -0.236 1
1 1397 . 9 1 1 A 131 131 ILE HA H 130 4.375 4.471 -0.096 1
1 1407 . 9 1 1 A 131 131 ILE CA C 130 63.278 61.621 1.657 1
1 1408 . 9 1 1 A 131 131 ILE CB C 130 37.850 38.321 -0.471 1
1 1412 . 9 1 1 A 131 131 ILE N N 130 118.433 123.910 -5.477 1
1 1413 . 9 1 1 A 132 132 GLY H H 131 9.225 8.492 0.733 1
1 1414 . 9 1 1 A 132 132 GLY HA2 H 131 3.693 4.269 -0.576 1
1 1415 . 9 1 1 A 132 132 GLY HA3 H 131 5.248 4.280 0.968 1
1 1416 . 9 1 1 A 132 132 GLY CA C 131 45.218 45.493 -0.275 1
1 1417 . 9 1 1 A 132 132 GLY N N 131 113.442 113.349 0.093 1
1 1418 . 9 1 1 A 133 133 VAL H H 132 8.177 8.784 -0.607 1
1 1419 . 9 1 1 A 133 133 VAL HA H 132 4.710 4.456 0.254 1
1 1427 . 9 1 1 A 133 133 VAL CA C 132 61.537 62.895 -1.358 1
1 1428 . 9 1 1 A 133 133 VAL CB C 132 33.281 31.045 2.236 1
1 1431 . 9 1 1 A 133 133 VAL N N 132 118.438 121.196 -2.758 1
1 1432 . 9 1 1 A 134 134 LYS H H 133 8.752 8.480 0.272 1
1 1433 . 9 1 1 A 134 134 LYS HA H 133 4.472 3.856 0.616 1
1 1440 . 9 1 1 A 134 134 LYS CA C 133 55.257 58.855 -3.598 1
1 1441 . 9 1 1 A 134 134 LYS CB C 133 35.500 32.682 2.818 1
1 1445 . 9 1 1 A 134 134 LYS N N 133 127.706 130.105 -2.399 1
1 1446 . 9 1 1 A 135 135 ASP H H 134 9.321 8.025 1.296 1
1 1447 . 9 1 1 A 135 135 ASP HA H 134 4.230 4.604 -0.374 1
1 1450 . 9 1 1 A 135 135 ASP CA C 134 55.965 55.952 0.013 1
1 1451 . 9 1 1 A 135 135 ASP CB C 134 39.212 42.212 -3.000 1
1 1452 . 9 1 1 A 135 135 ASP N N 134 126.815 118.350 8.465 1
1 1453 . 9 1 1 A 136 136 ASN H H 135 8.603 8.075 0.528 1
1 1454 . 9 1 1 A 136 136 ASN HA H 135 4.380 4.983 -0.603 1
1 1457 . 9 1 1 A 136 136 ASN CA C 135 54.117 52.695 1.422 1
1 1458 . 9 1 1 A 136 136 ASN CB C 135 37.384 39.916 -2.532 1
1 1459 . 9 1 1 A 136 136 ASN N N 135 113.023 110.808 2.215 1
1 1460 . 9 1 1 A 137 137 HIS H H 136 8.112 7.523 0.589 1
1 1461 . 9 1 1 A 137 137 HIS HA H 136 5.116 5.198 -0.082 1
1 1465 . 9 1 1 A 137 137 HIS CA C 136 54.190 53.870 0.320 1
1 1466 . 9 1 1 A 137 137 HIS CB C 136 31.681 32.280 -0.599 1
1 1467 . 9 1 1 A 137 137 HIS N N 136 115.753 115.059 0.694 1
1 1468 . 9 1 1 A 138 138 LEU H H 137 8.553 8.600 -0.047 1
1 1469 . 9 1 1 A 138 138 LEU HA H 137 5.251 4.472 0.779 1
1 1479 . 9 1 1 A 138 138 LEU CA C 137 54.147 54.882 -0.735 1
1 1480 . 9 1 1 A 138 138 LEU CB C 137 42.849 42.461 0.388 1
1 1484 . 9 1 1 A 138 138 LEU N N 137 118.446 120.924 -2.478 1
1 1485 . 9 1 1 A 139 139 ALA H H 138 9.357 8.827 0.530 1
1 1486 . 9 1 1 A 139 139 ALA HA H 138 4.760 4.912 -0.152 1
1 1490 . 9 1 1 A 139 139 ALA CA C 138 51.091 51.407 -0.316 1
1 1491 . 9 1 1 A 139 139 ALA CB C 138 22.924 22.956 -0.032 1
1 1492 . 9 1 1 A 139 139 ALA N N 138 126.689 124.336 2.353 1
1 1493 . 9 1 1 A 140 140 LEU H H 139 7.287 8.639 -1.352 1
1 1494 . 9 1 1 A 140 140 LEU HA H 139 5.278 4.562 0.716 1
1 1504 . 9 1 1 A 140 140 LEU CA C 139 53.026 54.572 -1.546 1
1 1505 . 9 1 1 A 140 140 LEU CB C 139 42.025 40.736 1.289 1
1 1509 . 9 1 1 A 140 140 LEU N N 139 116.219 120.934 -4.715 1
1 1510 . 9 1 1 A 141 141 ILE H H 140 9.676 9.010 0.666 1
1 1511 . 9 1 1 A 141 141 ILE HA H 140 4.321 4.620 -0.299 1
1 1521 . 9 1 1 A 141 141 ILE CA C 140 59.331 60.577 -1.246 1
1 1522 . 9 1 1 A 141 141 ILE CB C 140 40.745 38.401 2.344 1
1 1526 . 9 1 1 A 141 141 ILE N N 140 124.052 125.761 -1.709 1
1 1527 . 9 1 1 A 142 142 LYS H H 141 8.665 9.048 -0.383 1
1 1528 . 9 1 1 A 142 142 LYS HA H 141 5.053 4.812 0.241 1
1 1534 . 9 1 1 A 142 142 LYS CA C 141 55.586 55.632 -0.046 1
1 1535 . 9 1 1 A 142 142 LYS CB C 141 32.709 33.716 -1.007 1
1 1539 . 9 1 1 A 142 142 LYS N N 141 128.856 128.699 0.157 1
1 1540 . 9 1 1 A 143 143 VAL H H 142 8.757 9.296 -0.539 1
1 1541 . 9 1 1 A 143 143 VAL HA H 142 4.223 4.598 -0.375 1
1 1549 . 9 1 1 A 143 143 VAL CA C 142 62.032 61.299 0.733 1
1 1550 . 9 1 1 A 143 143 VAL CB C 142 33.008 33.446 -0.438 1
1 1553 . 9 1 1 A 143 143 VAL N N 142 127.220 127.984 -0.764 1
1 1554 . 9 1 1 A 144 144 ASP H H 143 8.595 8.828 -0.233 1
1 1555 . 9 1 1 A 144 144 ASP HA H 143 4.698 4.568 0.130 1
1 1557 . 9 1 1 A 144 144 ASP CB C 143 41.517 41.210 0.307 1
1 1558 . 9 1 1 A 144 144 ASP N N 143 125.250 128.708 -3.458 1
1 1559 . 9 1 1 A 145 145 SER H H 144 8.296 8.809 -0.513 1
1 1560 . 9 1 1 A 145 145 SER HA H 144 4.455 4.258 0.197 1
1 1563 . 9 1 1 A 145 145 SER CA C 144 58.814 59.781 -0.967 1
1 1564 . 9 1 1 A 145 145 SER CB C 144 63.202 63.095 0.107 1
1 1565 . 9 1 1 A 145 145 SER N N 144 116.695 119.543 -2.848 1
1 1566 . 9 1 1 A 146 146 SER H H 145 8.512 8.787 -0.275 1
1 1567 . 9 1 1 A 146 146 SER HA H 145 4.393 4.139 0.254 1
1 1570 . 9 1 1 A 146 146 SER CA C 145 59.286 60.631 -1.345 1
1 1571 . 9 1 1 A 146 146 SER CB C 145 63.396 61.396 2.000 1
1 1572 . 9 1 1 A 146 146 SER N N 145 117.509 115.665 1.844 1
1 1573 . 9 1 1 A 147 147 GLU H H 146 8.145 7.608 0.537 1
1 1574 . 9 1 1 A 147 147 GLU HA H 146 4.351 4.241 0.110 1
1 1578 . 9 1 1 A 147 147 GLU CA C 146 56.389 58.002 -1.613 1
1 1579 . 9 1 1 A 147 147 GLU N N 146 121.023 119.852 1.171 1
1 1580 . 9 1 1 A 148 148 ASN H H 147 8.145 7.535 0.610 1
1 1581 . 9 1 1 A 148 148 ASN HA H 147 4.584 5.048 -0.464 1
1 1584 . 9 1 1 A 148 148 ASN CA C 147 53.643 52.061 1.582 1
1 1585 . 9 1 1 A 148 148 ASN CB C 147 38.423 39.063 -0.640 1
1 1586 . 9 1 1 A 148 148 ASN N N 147 118.043 116.007 2.036 1
1 1587 . 9 1 1 A 149 149 LEU H H 148 7.953 7.717 0.236 1
1 1588 . 9 1 1 A 149 149 LEU HA H 148 4.294 4.261 0.033 1
1 1598 . 9 1 1 A 149 149 LEU CA C 148 55.249 56.697 -1.448 1
1 1599 . 9 1 1 A 149 149 LEU CB C 148 42.000 41.799 0.201 1
1 1603 . 9 1 1 A 149 149 LEU N N 148 120.366 120.733 -0.367 1
1 1604 . 9 1 1 A 150 150 CYS H H 149 8.141 7.832 0.309 1
1 1605 . 9 1 1 A 150 150 CYS HA H 149 4.517 4.456 0.061 1
1 1608 . 9 1 1 A 150 150 CYS CA C 149 57.817 58.509 -0.692 1
1 1609 . 9 1 1 A 150 150 CYS CB C 149 27.529 26.773 0.756 1
1 1610 . 9 1 1 A 150 150 CYS N N 149 118.879 115.909 2.970 1
1 1611 . 9 1 1 A 151 151 THR H H 150 7.892 7.398 0.494 1
1 1612 . 9 1 1 A 151 151 THR HA H 150 4.191 4.417 -0.226 1
1 1617 . 9 1 1 A 151 151 THR CA C 150 61.680 62.282 -0.602 1
1 1618 . 9 1 1 A 151 151 THR CB C 150 68.930 68.528 0.402 1
1 1620 . 9 1 1 A 151 151 THR N N 150 117.354 116.910 0.444 1
1 1621 . 9 1 1 A 152 152 GLU H H 151 8.547 8.821 -0.274 1
1 1622 . 9 1 1 A 152 152 GLU HA H 151 3.600 3.874 -0.274 1
1 1627 . 9 1 1 A 152 152 GLU CA C 151 59.126 58.423 0.703 1
1 1628 . 9 1 1 A 152 152 GLU CB C 151 28.575 28.918 -0.343 1
1 1630 . 9 1 1 A 152 152 GLU N N 151 122.526 126.070 -3.544 1
1 1631 . 9 1 1 A 153 153 ASN H H 152 8.140 8.105 0.035 1
1 1632 . 9 1 1 A 153 153 ASN HA H 152 4.525 4.436 0.089 1
1 1635 . 9 1 1 A 153 153 ASN CA C 152 54.838 56.159 -1.321 1
1 1636 . 9 1 1 A 153 153 ASN CB C 152 37.230 38.551 -1.321 1
1 1637 . 9 1 1 A 153 153 ASN N N 152 113.916 118.218 -4.302 1
1 1638 . 9 1 1 A 154 154 ILE H H 153 6.885 7.531 -0.646 1
1 1639 . 9 1 1 A 154 154 ILE HA H 153 5.150 4.215 0.935 1
1 1649 . 9 1 1 A 154 154 ILE CA C 153 60.523 60.929 -0.406 1
1 1650 . 9 1 1 A 154 154 ILE CB C 153 38.399 37.148 1.251 1
1 1654 . 9 1 1 A 154 154 ILE N N 153 108.606 112.198 -3.592 1
1 1655 . 9 1 1 A 155 155 LEU H H 154 7.162 7.088 0.074 1
1 1656 . 9 1 1 A 155 155 LEU HA H 154 4.654 4.818 -0.164 1
1 1666 . 9 1 1 A 155 155 LEU CA C 154 54.179 52.914 1.265 1
1 1667 . 9 1 1 A 155 155 LEU CB C 154 43.178 44.118 -0.940 1
1 1671 . 9 1 1 A 155 155 LEU N N 154 123.152 124.015 -0.863 1
1 1672 . 9 1 1 A 156 156 PHE H H 155 9.292 9.256 0.036 1
1 1673 . 9 1 1 A 156 156 PHE HA H 155 5.175 5.236 -0.061 1
1 1681 . 9 1 1 A 156 156 PHE CA C 155 56.409 56.270 0.139 1
1 1682 . 9 1 1 A 156 156 PHE CB C 155 43.001 43.676 -0.675 1
1 1688 . 9 1 1 A 156 156 PHE N N 155 119.900 122.904 -3.004 1
1 1689 . 9 1 1 A 157 157 LYS H H 156 9.195 9.053 0.142 1
1 1690 . 9 1 1 A 157 157 LYS HA H 156 4.966 5.236 -0.270 1
1 1698 . 9 1 1 A 157 157 LYS CA C 156 55.200 54.728 0.472 1
1 1699 . 9 1 1 A 157 157 LYS CB C 156 35.002 35.932 -0.930 1
1 1703 . 9 1 1 A 157 157 LYS N N 156 118.435 120.727 -2.292 1
1 1704 . 9 1 1 A 158 158 LEU H H 157 8.769 8.968 -0.199 1
1 1705 . 9 1 1 A 158 158 LEU HA H 157 5.356 5.306 0.050 1
1 1715 . 9 1 1 A 158 158 LEU CA C 157 53.173 53.447 -0.274 1
1 1716 . 9 1 1 A 158 158 LEU CB C 157 44.220 46.154 -1.934 1
1 1720 . 9 1 1 A 158 158 LEU N N 157 122.607 123.665 -1.058 1
1 1721 . 9 1 1 A 159 159 SER H H 158 8.462 8.818 -0.356 1
1 1722 . 9 1 1 A 159 159 SER HA H 158 4.854 5.065 -0.211 1
1 1724 . 9 1 1 A 159 159 SER CA C 158 57.305 56.888 0.417 1
1 1725 . 9 1 1 A 159 159 SER CB C 158 64.330 65.458 -1.128 1
1 1726 . 9 1 1 A 159 159 SER N N 158 116.051 116.638 -0.587 1
1 1727 . 9 1 1 A 160 160 GLU H H 159 9.008 8.810 0.198 1
1 1728 . 9 1 1 A 160 160 GLU HA H 159 4.606 4.650 -0.044 1
1 1732 . 9 1 1 A 160 160 GLU CA C 159 56.956 56.082 0.874 1
1 1733 . 9 1 1 A 160 160 GLU CB C 159 30.452 28.517 1.935 1
1 1735 . 9 1 1 A 160 160 GLU N N 159 124.532 127.203 -2.671 1
1 1 . 10 1 1 A 4 4 ILE H H 3 8.198 7.892 0.306 1
1 2 . 10 1 1 A 4 4 ILE HA H 3 4.246 4.125 0.121 1
1 12 . 10 1 1 A 4 4 ILE CA C 3 61.002 62.937 -1.935 1
1 13 . 10 1 1 A 4 4 ILE CB C 3 38.400 39.075 -0.675 1
1 17 . 10 1 1 A 4 4 ILE N N 3 121.904 121.284 0.620 1
1 18 . 10 1 1 A 5 5 THR H H 4 8.045 8.040 0.005 1
1 19 . 10 1 1 A 5 5 THR HA H 4 4.328 4.557 -0.229 1
1 24 . 10 1 1 A 5 5 THR CA C 4 61.754 60.312 1.442 1
1 25 . 10 1 1 A 5 5 THR CB C 4 69.755 72.212 -2.457 1
1 27 . 10 1 1 A 5 5 THR N N 4 117.078 115.319 1.759 1
1 28 . 10 1 1 A 6 6 GLY H H 5 8.294 8.626 -0.332 1
1 29 . 10 1 1 A 6 6 GLY HA2 H 5 3.978 3.949 0.029 1
1 30 . 10 1 1 A 6 6 GLY HA3 H 5 4.040 3.962 0.078 1
1 31 . 10 1 1 A 6 6 GLY CA C 5 45.204 45.518 -0.314 1
1 32 . 10 1 1 A 6 6 GLY N N 5 110.823 115.035 -4.212 1
1 33 . 10 1 1 A 7 7 ILE H H 6 7.850 7.712 0.138 1
1 34 . 10 1 1 A 7 7 ILE HA H 6 4.507 4.305 0.202 1
1 44 . 10 1 1 A 7 7 ILE CA C 6 61.058 60.141 0.917 1
1 45 . 10 1 1 A 7 7 ILE CB C 6 39.405 38.943 0.462 1
1 49 . 10 1 1 A 7 7 ILE N N 6 117.894 119.008 -1.114 1
1 50 . 10 1 1 A 8 8 SER H H 7 8.484 8.744 -0.260 1
1 51 . 10 1 1 A 8 8 SER HA H 7 5.138 4.967 0.171 1
1 54 . 10 1 1 A 8 8 SER CA C 7 55.586 55.257 0.329 1
1 55 . 10 1 1 A 8 8 SER CB C 7 63.867 63.589 0.278 1
1 56 . 10 1 1 A 8 8 SER N N 7 119.581 121.207 -1.626 1
1 57 . 10 1 1 A 9 9 PRO HA H 8 4.070 4.131 -0.061 1
1 64 . 10 1 1 A 9 9 PRO CA C 8 62.783 62.666 0.117 1
1 65 . 10 1 1 A 9 9 PRO CB C 8 32.390 31.670 0.720 1
1 68 . 10 1 1 A 10 10 ILE H H 9 8.916 8.699 0.217 1
1 69 . 10 1 1 A 10 10 ILE HA H 9 4.231 3.986 0.245 1
1 79 . 10 1 1 A 10 10 ILE CA C 9 62.297 63.790 -1.493 1
1 80 . 10 1 1 A 10 10 ILE CB C 9 39.145 38.598 0.547 1
1 84 . 10 1 1 A 10 10 ILE N N 9 119.667 119.309 0.358 1
1 85 . 10 1 1 A 11 11 THR H H 10 7.263 7.467 -0.204 1
1 86 . 10 1 1 A 11 11 THR HA H 10 4.577 4.578 -0.001 1
1 91 . 10 1 1 A 11 11 THR CA C 10 60.889 61.240 -0.351 1
1 92 . 10 1 1 A 11 11 THR CB C 10 69.698 70.754 -1.056 1
1 94 . 10 1 1 A 11 11 THR N N 10 112.847 111.663 1.184 1
1 95 . 10 1 1 A 12 12 GLU H H 11 8.157 8.739 -0.582 1
1 96 . 10 1 1 A 12 12 GLU HA H 11 5.689 5.298 0.391 1
1 100 . 10 1 1 A 12 12 GLU CA C 11 54.700 54.911 -0.211 1
1 101 . 10 1 1 A 12 12 GLU CB C 11 33.384 33.629 -0.245 1
1 103 . 10 1 1 A 12 12 GLU N N 11 122.192 124.158 -1.966 1
1 104 . 10 1 1 A 13 13 TYR H H 12 8.917 8.693 0.224 1
1 105 . 10 1 1 A 13 13 TYR HA H 12 4.919 5.109 -0.190 1
1 112 . 10 1 1 A 13 13 TYR CA C 12 56.453 56.363 0.090 1
1 113 . 10 1 1 A 13 13 TYR CB C 12 40.158 40.235 -0.077 1
1 118 . 10 1 1 A 13 13 TYR N N 12 119.678 119.217 0.461 1
1 119 . 10 1 1 A 14 14 LEU H H 13 8.420 8.668 -0.248 1
1 120 . 10 1 1 A 14 14 LEU HA H 13 5.201 4.962 0.239 1
1 130 . 10 1 1 A 14 14 LEU CA C 13 53.778 54.023 -0.245 1
1 131 . 10 1 1 A 14 14 LEU CB C 13 43.570 42.865 0.705 1
1 135 . 10 1 1 A 14 14 LEU N N 13 121.655 121.307 0.348 1
1 136 . 10 1 1 A 15 15 ALA H H 14 9.227 8.768 0.459 1
1 137 . 10 1 1 A 15 15 ALA HA H 14 4.979 5.030 -0.051 1
1 141 . 10 1 1 A 15 15 ALA CA C 14 50.832 51.318 -0.486 1
1 142 . 10 1 1 A 15 15 ALA CB C 14 23.479 24.448 -0.969 1
1 143 . 10 1 1 A 15 15 ALA N N 14 124.927 125.684 -0.757 1
1 144 . 10 1 1 A 16 16 SER H H 15 9.006 8.926 0.080 1
1 145 . 10 1 1 A 16 16 SER HA H 15 5.044 5.355 -0.311 1
1 148 . 10 1 1 A 16 16 SER CA C 15 57.379 56.631 0.748 1
1 149 . 10 1 1 A 16 16 SER CB C 15 64.811 65.577 -0.766 1
1 150 . 10 1 1 A 16 16 SER N N 15 115.217 114.948 0.269 1
1 151 . 10 1 1 A 17 17 LEU H H 16 9.299 8.648 0.651 1
1 152 . 10 1 1 A 17 17 LEU HA H 16 5.350 4.535 0.815 1
1 162 . 10 1 1 A 17 17 LEU CA C 16 54.150 55.130 -0.980 1
1 163 . 10 1 1 A 17 17 LEU CB C 16 45.483 41.453 4.030 1
1 167 . 10 1 1 A 17 17 LEU N N 16 125.526 126.876 -1.350 1
1 168 . 10 1 1 A 18 18 SER H H 17 9.032 9.249 -0.217 1
1 169 . 10 1 1 A 18 18 SER HA H 17 5.707 5.352 0.355 1
1 172 . 10 1 1 A 18 18 SER CA C 17 56.078 57.637 -1.559 1
1 173 . 10 1 1 A 18 18 SER CB C 17 66.504 64.976 1.528 1
1 174 . 10 1 1 A 18 18 SER N N 17 118.219 122.669 -4.450 1
1 175 . 10 1 1 A 19 19 THR H H 18 9.122 9.016 0.106 1
1 176 . 10 1 1 A 19 19 THR HA H 18 4.651 4.588 0.063 1
1 182 . 10 1 1 A 19 19 THR CA C 18 60.871 61.310 -0.439 1
1 183 . 10 1 1 A 19 19 THR CB C 18 71.214 70.734 0.480 1
1 185 . 10 1 1 A 19 19 THR N N 18 110.542 117.737 -7.195 1
1 186 . 10 1 1 A 20 20 TYR H H 19 7.890 9.174 -1.284 1
1 187 . 10 1 1 A 20 20 TYR HA H 19 3.895 4.164 -0.269 1
1 194 . 10 1 1 A 20 20 TYR CA C 19 61.228 60.431 0.797 1
1 195 . 10 1 1 A 20 20 TYR CB C 19 39.123 38.974 0.149 1
1 200 . 10 1 1 A 20 20 TYR N N 19 119.460 123.292 -3.832 1
1 201 . 10 1 1 A 21 21 ASN H H 20 7.312 7.880 -0.568 1
1 202 . 10 1 1 A 21 21 ASN HA H 20 4.663 4.863 -0.200 1
1 205 . 10 1 1 A 21 21 ASN CA C 20 52.035 52.168 -0.133 1
1 206 . 10 1 1 A 21 21 ASN CB C 20 37.228 38.405 -1.177 1
1 207 . 10 1 1 A 21 21 ASN N N 20 112.235 117.250 -5.015 1
1 208 . 10 1 1 A 22 22 ASP H H 21 7.919 7.814 0.105 1
1 209 . 10 1 1 A 22 22 ASP HA H 21 4.210 4.153 0.057 1
1 212 . 10 1 1 A 22 22 ASP CA C 21 56.289 55.482 0.807 1
1 213 . 10 1 1 A 22 22 ASP CB C 21 38.389 40.459 -2.070 1
1 214 . 10 1 1 A 22 22 ASP N N 21 113.136 118.743 -5.607 1
1 215 . 10 1 1 A 23 23 GLN H H 22 7.621 7.425 0.196 1
1 216 . 10 1 1 A 23 23 GLN HA H 22 4.576 4.632 -0.056 1
1 221 . 10 1 1 A 23 23 GLN CA C 22 55.474 54.826 0.648 1
1 222 . 10 1 1 A 23 23 GLN CB C 22 29.609 30.318 -0.709 1
1 224 . 10 1 1 A 23 23 GLN N N 22 115.930 119.721 -3.791 1
1 225 . 10 1 1 A 24 24 SER H H 23 8.847 8.452 0.395 1
1 226 . 10 1 1 A 24 24 SER HA H 23 4.699 5.100 -0.401 1
1 229 . 10 1 1 A 24 24 SER CA C 23 59.518 57.441 2.077 1
1 230 . 10 1 1 A 24 24 SER CB C 23 64.710 67.181 -2.471 1
1 231 . 10 1 1 A 24 24 SER N N 23 118.760 116.154 2.606 1
1 232 . 10 1 1 A 25 25 ILE H H 24 7.851 8.986 -1.135 1
1 233 . 10 1 1 A 25 25 ILE HA H 24 4.685 4.463 0.222 1
1 243 . 10 1 1 A 25 25 ILE CA C 24 59.480 60.914 -1.434 1
1 244 . 10 1 1 A 25 25 ILE CB C 24 36.204 37.925 -1.721 1
1 248 . 10 1 1 A 25 25 ILE N N 24 122.951 124.262 -1.311 1
1 249 . 10 1 1 A 26 26 THR H H 25 8.865 8.881 -0.016 1
1 250 . 10 1 1 A 26 26 THR HA H 25 4.615 4.659 -0.044 1
1 255 . 10 1 1 A 26 26 THR CA C 25 59.720 62.273 -2.553 1
1 256 . 10 1 1 A 26 26 THR CB C 25 70.755 69.603 1.152 1
1 258 . 10 1 1 A 26 26 THR N N 25 123.404 123.679 -0.275 1
1 259 . 10 1 1 A 27 27 PHE H H 26 8.614 9.034 -0.420 1
1 260 . 10 1 1 A 27 27 PHE HA H 26 4.986 4.931 0.055 1
1 268 . 10 1 1 A 27 27 PHE CA C 26 55.673 56.632 -0.959 1
1 269 . 10 1 1 A 27 27 PHE CB C 26 40.422 38.521 1.901 1
1 275 . 10 1 1 A 27 27 PHE N N 26 120.710 126.891 -6.181 1
1 276 . 10 1 1 A 28 28 ALA H H 27 8.989 8.661 0.328 1
1 277 . 10 1 1 A 28 28 ALA HA H 27 4.719 4.597 0.122 1
1 281 . 10 1 1 A 28 28 ALA CA C 27 51.105 51.655 -0.550 1
1 282 . 10 1 1 A 28 28 ALA CB C 27 20.169 19.167 1.002 1
1 283 . 10 1 1 A 28 28 ALA N N 27 127.571 127.331 0.240 1
1 284 . 10 1 1 A 29 29 LEU H H 28 8.302 8.778 -0.476 1
1 285 . 10 1 1 A 29 29 LEU HA H 28 4.388 4.750 -0.362 1
1 295 . 10 1 1 A 29 29 LEU CA C 28 54.689 53.790 0.899 1
1 296 . 10 1 1 A 29 29 LEU CB C 28 42.072 42.785 -0.713 1
1 300 . 10 1 1 A 29 29 LEU N N 28 123.967 123.955 0.012 1
1 301 . 10 1 1 A 30 30 GLU H H 29 8.426 8.743 -0.317 1
1 302 . 10 1 1 A 30 30 GLU HA H 29 4.383 4.550 -0.167 1
1 306 . 10 1 1 A 30 30 GLU CA C 29 55.674 54.960 0.714 1
1 307 . 10 1 1 A 30 30 GLU CB C 29 30.616 31.507 -0.891 1
1 309 . 10 1 1 A 30 30 GLU N N 29 123.800 124.013 -0.213 1
1 310 . 10 1 1 A 31 31 ASP H H 30 8.504 8.629 -0.125 1
1 311 . 10 1 1 A 31 31 ASP HA H 30 4.359 4.239 0.120 1
1 314 . 10 1 1 A 31 31 ASP CA C 30 55.650 56.632 -0.982 1
1 315 . 10 1 1 A 31 31 ASP CB C 30 39.912 40.746 -0.834 1
1 316 . 10 1 1 A 31 31 ASP N N 30 121.263 121.273 -0.010 1
1 317 . 10 1 1 A 32 32 GLU H H 31 8.235 7.905 0.330 1
1 318 . 10 1 1 A 32 32 GLU HA H 31 4.039 4.348 -0.309 1
1 323 . 10 1 1 A 32 32 GLU CA C 31 56.572 56.010 0.562 1
1 324 . 10 1 1 A 32 32 GLU CB C 31 29.099 31.749 -2.650 1
1 326 . 10 1 1 A 32 32 GLU N N 31 115.284 113.777 1.507 1
1 327 . 10 1 1 A 33 33 SER H H 32 7.854 7.465 0.389 1
1 328 . 10 1 1 A 33 33 SER HA H 32 4.556 4.529 0.027 1
1 330 . 10 1 1 A 33 33 SER CA C 32 57.848 56.812 1.036 1
1 331 . 10 1 1 A 33 33 SER CB C 32 64.080 65.105 -1.025 1
1 332 . 10 1 1 A 33 33 SER N N 32 114.403 116.386 -1.983 1
1 333 . 10 1 1 A 34 34 TYR H H 33 8.117 9.087 -0.970 1
1 334 . 10 1 1 A 34 34 TYR HA H 33 4.995 4.984 0.011 1
1 341 . 10 1 1 A 34 34 TYR CA C 33 56.928 56.653 0.275 1
1 342 . 10 1 1 A 34 34 TYR CB C 33 39.116 40.020 -0.904 1
1 347 . 10 1 1 A 34 34 TYR N N 33 119.987 123.873 -3.886 1
1 348 . 10 1 1 A 35 35 GLU H H 34 8.466 8.605 -0.139 1
1 349 . 10 1 1 A 35 35 GLU HA H 34 4.574 4.896 -0.322 1
1 352 . 10 1 1 A 35 35 GLU CA C 34 55.417 55.351 0.066 1
1 353 . 10 1 1 A 35 35 GLU CB C 34 33.071 32.140 0.931 1
1 355 . 10 1 1 A 35 35 GLU N N 34 120.614 123.616 -3.002 1
1 356 . 10 1 1 A 36 36 ILE H H 35 8.485 8.563 -0.078 1
1 357 . 10 1 1 A 36 36 ILE HA H 35 4.713 4.810 -0.097 1
1 367 . 10 1 1 A 36 36 ILE CA C 35 60.138 60.056 0.082 1
1 368 . 10 1 1 A 36 36 ILE CB C 35 39.383 40.044 -0.661 1
1 372 . 10 1 1 A 36 36 ILE N N 35 121.673 124.496 -2.823 1
1 373 . 10 1 1 A 37 37 TYR H H 36 8.725 8.689 0.036 1
1 374 . 10 1 1 A 37 37 TYR HA H 36 5.148 5.245 -0.097 1
1 380 . 10 1 1 A 37 37 TYR CA C 36 55.698 56.442 -0.744 1
1 381 . 10 1 1 A 37 37 TYR CB C 36 40.866 42.756 -1.890 1
1 386 . 10 1 1 A 37 37 TYR N N 36 125.169 124.586 0.583 1
1 387 . 10 1 1 A 38 38 VAL H H 37 7.859 8.592 -0.733 1
1 388 . 10 1 1 A 38 38 VAL HA H 37 4.636 4.574 0.062 1
1 396 . 10 1 1 A 38 38 VAL CA C 37 60.937 62.018 -1.081 1
1 397 . 10 1 1 A 38 38 VAL CB C 37 32.382 32.105 0.277 1
1 400 . 10 1 1 A 38 38 VAL N N 37 120.727 123.571 -2.844 1
1 401 . 10 1 1 A 39 39 GLU H H 38 8.885 8.890 -0.005 1
1 402 . 10 1 1 A 39 39 GLU HA H 38 4.690 4.904 -0.214 1
1 407 . 10 1 1 A 39 39 GLU CA C 38 55.174 54.847 0.327 1
1 408 . 10 1 1 A 39 39 GLU CB C 38 33.421 33.012 0.409 1
1 410 . 10 1 1 A 39 39 GLU N N 38 124.823 126.659 -1.836 1
1 411 . 10 1 1 A 40 40 ASP H H 39 8.646 8.712 -0.066 1
1 412 . 10 1 1 A 40 40 ASP HA H 39 4.721 5.192 -0.471 1
1 415 . 10 1 1 A 40 40 ASP CA C 39 54.340 53.167 1.173 1
1 416 . 10 1 1 A 40 40 ASP CB C 39 40.839 43.396 -2.557 1
1 417 . 10 1 1 A 40 40 ASP N N 39 122.400 122.472 -0.072 1
1 418 . 10 1 1 A 41 41 LEU H H 40 8.133 8.739 -0.606 1
1 419 . 10 1 1 A 41 41 LEU HA H 40 4.430 4.607 -0.177 1
1 429 . 10 1 1 A 41 41 LEU CA C 40 54.553 54.506 0.047 1
1 430 . 10 1 1 A 41 41 LEU CB C 40 42.942 41.196 1.746 1
1 434 . 10 1 1 A 41 41 LEU N N 40 122.394 125.154 -2.760 1
1 435 . 10 1 1 A 42 42 LYS H H 41 8.659 8.575 0.084 1
1 436 . 10 1 1 A 42 42 LYS HA H 41 4.357 4.737 -0.380 1
1 442 . 10 1 1 A 42 42 LYS CA C 41 55.924 54.880 1.044 1
1 443 . 10 1 1 A 42 42 LYS CB C 41 32.421 34.110 -1.689 1
1 447 . 10 1 1 A 42 42 LYS N N 41 122.920 124.767 -1.847 1
1 448 . 10 1 1 A 43 43 LYS H H 42 8.371 8.837 -0.466 1
1 449 . 10 1 1 A 43 43 LYS HA H 42 4.223 3.923 0.300 1
1 455 . 10 1 1 A 43 43 LYS CA C 42 56.924 58.599 -1.675 1
1 456 . 10 1 1 A 43 43 LYS CB C 42 32.671 31.083 1.588 1
1 460 . 10 1 1 A 43 43 LYS N N 42 121.924 118.552 3.372 1
1 461 . 10 1 1 A 44 44 ASP H H 43 8.355 8.289 0.066 1
1 462 . 10 1 1 A 44 44 ASP HA H 43 4.556 4.945 -0.389 1
1 464 . 10 1 1 A 44 44 ASP CA C 43 54.243 53.822 0.421 1
1 465 . 10 1 1 A 44 44 ASP CB C 43 40.582 42.252 -1.670 1
1 466 . 10 1 1 A 44 44 ASP N N 43 118.485 118.674 -0.189 1
1 467 . 10 1 1 A 45 45 GLU H H 44 8.011 9.048 -1.037 1
1 468 . 10 1 1 A 45 45 GLU HA H 44 4.313 5.014 -0.701 1
1 473 . 10 1 1 A 45 45 GLU CA C 44 56.362 54.418 1.944 1
1 474 . 10 1 1 A 45 45 GLU CB C 44 30.265 33.228 -2.963 1
1 476 . 10 1 1 A 45 45 GLU N N 44 119.516 125.526 -6.010 1
1 477 . 10 1 1 A 46 46 LYS H H 45 8.304 8.606 -0.302 1
1 478 . 10 1 1 A 46 46 LYS HA H 45 4.307 4.695 -0.388 1
1 485 . 10 1 1 A 46 46 LYS CA C 45 56.424 55.968 0.456 1
1 486 . 10 1 1 A 46 46 LYS CB C 45 32.421 33.434 -1.013 1
1 490 . 10 1 1 A 46 46 LYS N N 45 121.875 122.848 -0.973 1
1 491 . 10 1 1 A 47 47 LYS H H 46 8.280 8.755 -0.475 1
1 492 . 10 1 1 A 47 47 LYS HA H 46 4.469 4.868 -0.399 1
1 498 . 10 1 1 A 47 47 LYS CA C 46 55.514 54.364 1.150 1
1 499 . 10 1 1 A 47 47 LYS CB C 46 33.264 35.498 -2.234 1
1 503 . 10 1 1 A 47 47 LYS N N 46 122.374 122.503 -0.129 1
1 504 . 10 1 1 A 48 48 ASP H H 47 8.778 8.722 0.056 1
1 505 . 10 1 1 A 48 48 ASP HA H 47 4.811 4.960 -0.149 1
1 507 . 10 1 1 A 48 48 ASP CA C 47 54.357 54.033 0.324 1
1 508 . 10 1 1 A 48 48 ASP CB C 47 41.842 42.335 -0.493 1
1 509 . 10 1 1 A 48 48 ASP N N 47 122.211 121.638 0.573 1
1 510 . 10 1 1 A 49 49 LYS H H 48 8.388 8.703 -0.315 1
1 511 . 10 1 1 A 49 49 LYS HA H 48 4.593 4.926 -0.333 1
1 519 . 10 1 1 A 49 49 LYS CA C 48 55.134 55.249 -0.115 1
1 520 . 10 1 1 A 49 49 LYS CB C 48 34.993 34.175 0.818 1
1 524 . 10 1 1 A 49 49 LYS N N 48 120.889 125.717 -4.828 1
1 525 . 10 1 1 A 50 50 VAL H H 49 9.063 9.114 -0.051 1
1 526 . 10 1 1 A 50 50 VAL HA H 49 4.097 4.702 -0.605 1
1 534 . 10 1 1 A 50 50 VAL CA C 49 59.275 59.658 -0.383 1
1 535 . 10 1 1 A 50 50 VAL CB C 49 33.958 33.967 -0.009 1
1 538 . 10 1 1 A 50 50 VAL N N 49 118.350 124.261 -5.911 1
1 539 . 10 1 1 A 51 51 LEU H H 50 8.238 8.508 -0.270 1
1 540 . 10 1 1 A 51 51 LEU HA H 50 4.561 4.659 -0.098 1
1 550 . 10 1 1 A 51 51 LEU CA C 50 54.877 54.236 0.641 1
1 551 . 10 1 1 A 51 51 LEU CB C 50 42.481 42.865 -0.384 1
1 555 . 10 1 1 A 51 51 LEU N N 50 125.236 129.862 -4.626 1
1 556 . 10 1 1 A 52 52 LEU H H 51 9.286 8.883 0.403 1
1 557 . 10 1 1 A 52 52 LEU HA H 51 5.190 5.408 -0.218 1
1 567 . 10 1 1 A 52 52 LEU CA C 51 54.228 53.152 1.076 1
1 568 . 10 1 1 A 52 52 LEU CB C 51 42.961 44.061 -1.100 1
1 572 . 10 1 1 A 52 52 LEU N N 51 134.513 129.894 4.619 1
1 573 . 10 1 1 A 53 53 SER H H 52 7.992 8.681 -0.689 1
1 574 . 10 1 1 A 53 53 SER HA H 52 5.233 5.356 -0.123 1
1 577 . 10 1 1 A 53 53 SER CA C 52 56.869 57.134 -0.265 1
1 578 . 10 1 1 A 53 53 SER CB C 52 62.776 66.275 -3.499 1
1 579 . 10 1 1 A 53 53 SER N N 52 117.641 118.620 -0.979 1
1 580 . 10 1 1 A 54 54 TYR H H 53 8.703 8.857 -0.154 1
1 581 . 10 1 1 A 54 54 TYR HA H 53 5.611 5.512 0.099 1
1 588 . 10 1 1 A 54 54 TYR CA C 53 56.264 57.235 -0.971 1
1 589 . 10 1 1 A 54 54 TYR CB C 53 40.455 41.535 -1.080 1
1 594 . 10 1 1 A 54 54 TYR N N 53 122.503 122.965 -0.462 1
1 595 . 10 1 1 A 55 55 TYR H H 54 9.813 9.290 0.523 1
1 596 . 10 1 1 A 55 55 TYR HA H 54 4.983 5.109 -0.126 1
1 603 . 10 1 1 A 55 55 TYR CA C 54 56.465 56.315 0.150 1
1 604 . 10 1 1 A 55 55 TYR CB C 54 41.898 42.684 -0.786 1
1 609 . 10 1 1 A 55 55 TYR N N 54 120.204 120.034 0.170 1
1 610 . 10 1 1 A 56 56 GLU H H 55 8.804 9.010 -0.206 1
1 611 . 10 1 1 A 56 56 GLU HA H 55 4.913 5.226 -0.313 1
1 616 . 10 1 1 A 56 56 GLU CA C 55 55.700 55.243 0.457 1
1 617 . 10 1 1 A 56 56 GLU CB C 55 31.684 31.925 -0.241 1
1 619 . 10 1 1 A 56 56 GLU N N 55 120.472 122.041 -1.569 1
1 620 . 10 1 1 A 57 57 SER H H 56 8.580 8.998 -0.418 1
1 621 . 10 1 1 A 57 57 SER HA H 56 4.619 5.484 -0.865 1
1 624 . 10 1 1 A 57 57 SER CA C 56 57.332 56.606 0.726 1
1 625 . 10 1 1 A 57 57 SER CB C 56 64.338 66.338 -2.000 1
1 626 . 10 1 1 A 57 57 SER N N 56 117.342 115.665 1.677 1
1 627 . 10 1 1 A 58 58 GLN H H 57 8.426 8.937 -0.511 1
1 628 . 10 1 1 A 58 58 GLN HA H 57 4.482 5.096 -0.614 1
1 632 . 10 1 1 A 58 58 GLN CA C 57 55.364 53.932 1.432 1
1 633 . 10 1 1 A 58 58 GLN CB C 57 29.603 32.281 -2.678 1
1 635 . 10 1 1 A 58 58 GLN N N 57 121.444 121.903 -0.459 1
1 636 . 10 1 1 A 59 59 HIS H H 58 8.481 8.984 -0.503 1
1 637 . 10 1 1 A 59 59 HIS HA H 58 4.862 5.113 -0.251 1
1 641 . 10 1 1 A 59 59 HIS CA C 58 54.055 54.297 -0.242 1
1 642 . 10 1 1 A 59 59 HIS CB C 58 30.237 31.535 -1.298 1
1 643 . 10 1 1 A 59 59 HIS N N 58 122.199 124.019 -1.820 1
1 644 . 10 1 1 A 60 60 PRO HA H 59 4.506 4.165 0.341 1
1 650 . 10 1 1 A 60 60 PRO CA C 59 63.254 63.401 -0.147 1
1 651 . 10 1 1 A 60 60 PRO CB C 59 31.829 32.022 -0.193 1
1 654 . 10 1 1 A 62 62 ASN H H 61 8.465 8.081 0.384 1
1 655 . 10 1 1 A 62 62 ASN HA H 61 4.769 5.067 -0.298 1
1 657 . 10 1 1 A 62 62 ASN CA C 61 53.310 54.435 -1.125 1
1 658 . 10 1 1 A 62 62 ASN CB C 61 38.545 41.475 -2.930 1
1 659 . 10 1 1 A 62 62 ASN N N 61 120.049 122.183 -2.134 1
1 660 . 10 1 1 A 63 63 GLU H H 62 8.369 8.228 0.141 1
1 661 . 10 1 1 A 63 63 GLU HA H 62 4.348 4.000 0.348 1
1 666 . 10 1 1 A 63 63 GLU CA C 62 56.828 57.214 -0.386 1
1 667 . 10 1 1 A 63 63 GLU CB C 62 30.044 28.169 1.875 1
1 669 . 10 1 1 A 63 63 GLU N N 62 120.260 118.922 1.338 1
1 670 . 10 1 1 A 64 64 SER H H 63 8.254 8.102 0.152 1
1 671 . 10 1 1 A 64 64 SER HA H 63 4.494 4.391 0.103 1
1 674 . 10 1 1 A 64 64 SER CA C 63 58.213 59.963 -1.750 1
1 675 . 10 1 1 A 64 64 SER CB C 63 63.799 63.828 -0.029 1
1 676 . 10 1 1 A 64 64 SER N N 63 115.291 121.058 -5.767 1
1 677 . 10 1 1 A 65 65 GLY H H 64 8.294 8.612 -0.318 1
1 678 . 10 1 1 A 65 65 GLY HA2 H 64 4.001 4.131 -0.130 1
1 679 . 10 1 1 A 65 65 GLY CA C 64 45.306 45.421 -0.115 1
1 680 . 10 1 1 A 65 65 GLY N N 64 110.364 113.294 -2.930 1
1 681 . 10 1 1 A 66 66 ASP H H 65 8.227 8.176 0.051 1
1 682 . 10 1 1 A 66 66 ASP HA H 65 4.664 4.343 0.321 1
1 684 . 10 1 1 A 66 66 ASP CA C 65 54.180 54.906 -0.726 1
1 685 . 10 1 1 A 66 66 ASP CB C 65 41.160 39.109 2.051 1
1 686 . 10 1 1 A 66 66 ASP N N 65 119.894 116.089 3.805 1
1 687 . 10 1 1 A 67 67 GLY H H 66 8.379 8.249 0.130 1
1 688 . 10 1 1 A 67 67 GLY HA2 H 66 3.997 4.033 -0.036 1
1 689 . 10 1 1 A 67 67 GLY CA C 66 45.216 45.548 -0.332 1
1 690 . 10 1 1 A 67 67 GLY N N 66 108.939 110.377 -1.438 1
1 691 . 10 1 1 A 68 68 VAL H H 67 8.008 7.967 0.041 1
1 692 . 10 1 1 A 68 68 VAL HA H 67 4.164 4.674 -0.510 1
1 700 . 10 1 1 A 68 68 VAL CA C 67 62.133 59.658 2.475 1
1 701 . 10 1 1 A 68 68 VAL CB C 67 32.509 34.944 -2.435 1
1 704 . 10 1 1 A 68 68 VAL N N 67 118.651 115.267 3.384 1
1 705 . 10 1 1 A 69 69 ASP H H 68 8.441 8.700 -0.259 1
1 706 . 10 1 1 A 69 69 ASP HA H 68 4.664 4.516 0.148 1
1 709 . 10 1 1 A 69 69 ASP CA C 68 54.211 56.200 -1.989 1
1 710 . 10 1 1 A 69 69 ASP CB C 68 40.995 39.685 1.310 1
1 711 . 10 1 1 A 69 69 ASP N N 68 122.953 122.418 0.535 1
1 712 . 10 1 1 A 70 70 GLY H H 69 8.231 8.925 -0.694 1
1 713 . 10 1 1 A 70 70 GLY HA2 H 69 3.980 4.346 -0.366 1
1 714 . 10 1 1 A 70 70 GLY CA C 69 45.347 44.879 0.468 1
1 715 . 10 1 1 A 70 70 GLY N N 69 108.501 109.142 -0.641 1
1 716 . 10 1 1 A 71 71 LYS H H 70 8.097 8.454 -0.357 1
1 717 . 10 1 1 A 71 71 LYS HA H 70 4.552 4.276 0.276 1
1 725 . 10 1 1 A 71 71 LYS CA C 70 55.514 56.187 -0.673 1
1 726 . 10 1 1 A 71 71 LYS CB C 70 33.267 32.998 0.269 1
1 730 . 10 1 1 A 71 71 LYS N N 70 120.089 121.101 -1.012 1
1 731 . 10 1 1 A 72 72 MET H H 71 8.485 8.489 -0.004 1
1 732 . 10 1 1 A 72 72 MET HA H 71 4.622 4.501 0.121 1
1 740 . 10 1 1 A 72 72 MET CA C 71 54.810 55.145 -0.335 1
1 741 . 10 1 1 A 72 72 MET CB C 71 34.060 33.004 1.056 1
1 744 . 10 1 1 A 72 72 MET N N 71 121.815 121.659 0.156 1
1 745 . 10 1 1 A 73 73 LEU H H 72 8.792 8.842 -0.050 1
1 746 . 10 1 1 A 73 73 LEU HA H 72 5.140 5.080 0.060 1
1 756 . 10 1 1 A 73 73 LEU CA C 72 53.671 53.748 -0.077 1
1 757 . 10 1 1 A 73 73 LEU CB C 72 44.258 43.025 1.233 1
1 761 . 10 1 1 A 73 73 LEU N N 72 124.871 125.625 -0.754 1
1 762 . 10 1 1 A 74 74 MET H H 73 9.089 8.907 0.182 1
1 763 . 10 1 1 A 74 74 MET HA H 73 5.741 5.257 0.484 1
1 770 . 10 1 1 A 74 74 MET CA C 73 53.328 55.090 -1.762 1
1 771 . 10 1 1 A 74 74 MET CB C 73 36.526 34.417 2.109 1
1 774 . 10 1 1 A 74 74 MET N N 73 119.200 123.756 -4.556 1
1 775 . 10 1 1 A 75 75 VAL H H 74 10.046 8.940 1.106 1
1 776 . 10 1 1 A 75 75 VAL HA H 74 6.298 5.201 1.097 1
1 784 . 10 1 1 A 75 75 VAL CA C 74 58.377 60.122 -1.745 1
1 785 . 10 1 1 A 75 75 VAL CB C 74 36.528 35.842 0.686 1
1 788 . 10 1 1 A 75 75 VAL N N 74 116.505 120.062 -3.557 1
1 789 . 10 1 1 A 76 76 THR H H 75 8.519 9.030 -0.511 1
1 790 . 10 1 1 A 76 76 THR HA H 75 4.978 5.272 -0.294 1
1 795 . 10 1 1 A 76 76 THR CA C 75 59.451 60.514 -1.063 1
1 796 . 10 1 1 A 76 76 THR CB C 75 71.755 71.422 0.333 1
1 798 . 10 1 1 A 76 76 THR N N 75 111.166 117.880 -6.714 1
1 799 . 10 1 1 A 77 77 LEU H H 76 10.195 9.295 0.900 1
1 800 . 10 1 1 A 77 77 LEU HA H 76 5.175 4.886 0.289 1
1 810 . 10 1 1 A 77 77 LEU CA C 76 55.214 53.430 1.784 1
1 811 . 10 1 1 A 77 77 LEU CB C 76 45.718 42.742 2.976 1
1 815 . 10 1 1 A 77 77 LEU N N 76 121.235 126.822 -5.587 1
1 816 . 10 1 1 A 78 78 SER H H 77 8.596 8.792 -0.196 1
1 817 . 10 1 1 A 78 78 SER HA H 77 5.427 4.857 0.570 1
1 821 . 10 1 1 A 78 78 SER CA C 77 52.060 55.039 -2.979 1
1 822 . 10 1 1 A 78 78 SER CB C 77 63.768 64.291 -0.523 1
1 823 . 10 1 1 A 78 78 SER N N 77 116.108 119.426 -3.318 1
1 824 . 10 1 1 A 79 79 PRO HA H 78 4.257 4.226 0.031 1
1 831 . 10 1 1 A 79 79 PRO CA C 78 62.972 63.816 -0.844 1
1 832 . 10 1 1 A 79 79 PRO CB C 78 31.667 31.443 0.224 1
1 835 . 10 1 1 A 80 80 THR H H 79 6.796 7.157 -0.361 1
1 836 . 10 1 1 A 80 80 THR HA H 79 4.204 4.572 -0.368 1
1 842 . 10 1 1 A 80 80 THR CA C 79 60.016 60.060 -0.044 1
1 843 . 10 1 1 A 80 80 THR CB C 79 68.509 71.125 -2.616 1
1 845 . 10 1 1 A 80 80 THR N N 79 110.183 107.417 2.766 1
1 846 . 10 1 1 A 81 81 LYS H H 80 7.638 8.694 -1.056 1
1 847 . 10 1 1 A 81 81 LYS HA H 80 3.744 4.061 -0.317 1
1 853 . 10 1 1 A 81 81 LYS CA C 80 58.578 58.721 -0.143 1
1 854 . 10 1 1 A 81 81 LYS CB C 80 32.325 32.354 -0.029 1
1 858 . 10 1 1 A 81 81 LYS N N 80 124.973 119.380 5.593 1
1 859 . 10 1 1 A 82 82 ASP H H 81 8.255 7.675 0.580 1
1 860 . 10 1 1 A 82 82 ASP HA H 81 4.277 4.048 0.229 1
1 863 . 10 1 1 A 82 82 ASP CA C 81 57.378 55.560 1.818 1
1 864 . 10 1 1 A 82 82 ASP CB C 81 39.348 41.288 -1.940 1
1 865 . 10 1 1 A 82 82 ASP N N 81 117.344 116.784 0.560 1
1 866 . 10 1 1 A 83 83 PHE H H 82 7.880 7.507 0.373 1
1 867 . 10 1 1 A 83 83 PHE HA H 82 5.243 4.396 0.847 1
1 875 . 10 1 1 A 83 83 PHE CA C 82 56.927 59.416 -2.489 1
1 876 . 10 1 1 A 83 83 PHE CB C 82 41.679 39.644 2.035 1
1 881 . 10 1 1 A 83 83 PHE N N 82 115.687 118.248 -2.561 1
1 882 . 10 1 1 A 84 84 TRP H H 83 8.718 8.924 -0.206 1
1 883 . 10 1 1 A 84 84 TRP HA H 83 5.445 5.158 0.287 1
1 892 . 10 1 1 A 84 84 TRP CA C 83 57.105 55.911 1.194 1
1 893 . 10 1 1 A 84 84 TRP CB C 83 33.602 32.098 1.504 1
1 898 . 10 1 1 A 84 84 TRP N N 83 119.999 122.626 -2.627 1
1 900 . 10 1 1 A 85 85 LEU H H 84 8.738 8.318 0.420 1
1 901 . 10 1 1 A 85 85 LEU HA H 84 4.802 4.507 0.295 1
1 911 . 10 1 1 A 85 85 LEU CA C 84 56.224 55.364 0.860 1
1 912 . 10 1 1 A 85 85 LEU CB C 84 42.532 41.986 0.546 1
1 916 . 10 1 1 A 85 85 LEU N N 84 123.889 123.299 0.590 1
1 917 . 10 1 1 A 86 86 HIS H H 85 9.563 9.213 0.350 1
1 918 . 10 1 1 A 86 86 HIS HA H 85 5.027 5.183 -0.156 1
1 923 . 10 1 1 A 86 86 HIS CA C 85 54.704 54.550 0.154 1
1 924 . 10 1 1 A 86 86 HIS CB C 85 33.214 33.485 -0.271 1
1 926 . 10 1 1 A 86 86 HIS N N 85 121.782 123.050 -1.268 1
1 927 . 10 1 1 A 87 87 ALA H H 86 8.544 9.029 -0.485 1
1 928 . 10 1 1 A 87 87 ALA HA H 86 4.614 5.096 -0.482 1
1 932 . 10 1 1 A 87 87 ALA CA C 86 52.098 50.682 1.416 1
1 933 . 10 1 1 A 87 87 ALA CB C 86 20.690 20.868 -0.178 1
1 934 . 10 1 1 A 87 87 ALA N N 86 125.230 126.166 -0.936 1
1 935 . 10 1 1 A 88 88 ASN H H 87 8.846 9.143 -0.297 1
1 936 . 10 1 1 A 88 88 ASN HA H 87 4.862 4.922 -0.060 1
1 939 . 10 1 1 A 88 88 ASN CA C 87 51.444 53.211 -1.767 1
1 940 . 10 1 1 A 88 88 ASN CB C 87 37.171 38.900 -1.729 1
1 941 . 10 1 1 A 88 88 ASN N N 87 121.260 122.107 -0.847 1
1 942 . 10 1 1 A 89 89 ASN H H 88 8.638 9.151 -0.513 1
1 943 . 10 1 1 A 89 89 ASN HA H 88 4.284 4.657 -0.373 1
1 946 . 10 1 1 A 89 89 ASN CA C 88 55.788 54.384 1.404 1
1 947 . 10 1 1 A 89 89 ASN CB C 88 37.818 38.493 -0.675 1
1 948 . 10 1 1 A 89 89 ASN N N 88 121.570 125.200 -3.630 1
1 949 . 10 1 1 A 90 90 LYS H H 89 8.196 7.769 0.427 1
1 950 . 10 1 1 A 90 90 LYS HA H 89 4.101 4.066 0.035 1
1 957 . 10 1 1 A 90 90 LYS CA C 89 58.402 59.431 -1.029 1
1 958 . 10 1 1 A 90 90 LYS CB C 89 32.018 32.609 -0.591 1
1 962 . 10 1 1 A 90 90 LYS N N 89 119.566 118.363 1.203 1
1 963 . 10 1 1 A 91 91 GLU H H 90 6.917 7.849 -0.932 1
1 964 . 10 1 1 A 91 91 GLU HA H 90 4.378 4.456 -0.078 1
1 969 . 10 1 1 A 91 91 GLU CA C 90 54.864 55.836 -0.972 1
1 970 . 10 1 1 A 91 91 GLU CB C 90 29.597 29.790 -0.193 1
1 972 . 10 1 1 A 91 91 GLU N N 90 114.145 115.955 -1.810 1
1 973 . 10 1 1 A 92 92 HIS H H 91 7.738 7.544 0.194 1
1 974 . 10 1 1 A 92 92 HIS HA H 91 4.181 4.216 -0.035 1
1 978 . 10 1 1 A 92 92 HIS CA C 91 57.189 56.736 0.453 1
1 979 . 10 1 1 A 92 92 HIS CB C 91 26.154 26.692 -0.538 1
1 980 . 10 1 1 A 92 92 HIS N N 91 115.238 116.203 -0.965 1
1 981 . 10 1 1 A 93 93 SER H H 92 8.415 7.458 0.957 1
1 982 . 10 1 1 A 93 93 SER HA H 92 5.185 4.979 0.206 1
1 985 . 10 1 1 A 93 93 SER CA C 92 56.374 57.254 -0.880 1
1 986 . 10 1 1 A 93 93 SER CB C 92 67.005 65.941 1.064 1
1 987 . 10 1 1 A 93 93 SER N N 92 113.966 114.570 -0.604 1
1 988 . 10 1 1 A 94 94 VAL H H 93 8.251 8.766 -0.515 1
1 989 . 10 1 1 A 94 94 VAL HA H 93 4.868 4.831 0.037 1
1 997 . 10 1 1 A 94 94 VAL CA C 93 60.478 61.407 -0.929 1
1 998 . 10 1 1 A 94 94 VAL CB C 93 33.120 32.914 0.206 1
1 1001 . 10 1 1 A 94 94 VAL N N 93 116.256 124.894 -8.638 1
1 1002 . 10 1 1 A 95 95 GLU H H 94 8.904 9.206 -0.302 1
1 1003 . 10 1 1 A 95 95 GLU HA H 94 4.878 5.002 -0.124 1
1 1008 . 10 1 1 A 95 95 GLU CA C 94 53.455 54.596 -1.141 1
1 1009 . 10 1 1 A 95 95 GLU CB C 94 34.430 33.526 0.904 1
1 1011 . 10 1 1 A 95 95 GLU N N 94 122.142 124.084 -1.942 1
1 1012 . 10 1 1 A 96 96 LEU H H 95 8.237 8.474 -0.237 1
1 1013 . 10 1 1 A 96 96 LEU HA H 95 4.974 5.178 -0.204 1
1 1023 . 10 1 1 A 96 96 LEU CA C 95 53.731 53.541 0.190 1
1 1024 . 10 1 1 A 96 96 LEU CB C 95 43.478 43.143 0.335 1
1 1028 . 10 1 1 A 96 96 LEU N N 95 121.305 119.949 1.356 1
1 1029 . 10 1 1 A 97 97 HIS H H 96 8.294 9.380 -1.086 1
1 1030 . 10 1 1 A 97 97 HIS HA H 96 4.947 5.183 -0.236 1
1 1034 . 10 1 1 A 97 97 HIS CA C 96 54.144 54.585 -0.441 1
1 1035 . 10 1 1 A 97 97 HIS CB C 96 33.344 33.539 -0.195 1
1 1036 . 10 1 1 A 97 97 HIS N N 96 119.193 119.176 0.017 1
1 1037 . 10 1 1 A 98 98 LYS H H 97 8.582 8.846 -0.264 1
1 1038 . 10 1 1 A 98 98 LYS HA H 97 4.564 4.829 -0.265 1
1 1046 . 10 1 1 A 98 98 LYS CA C 97 55.190 55.290 -0.100 1
1 1047 . 10 1 1 A 98 98 LYS CB C 97 31.941 33.356 -1.415 1
1 1051 . 10 1 1 A 98 98 LYS N N 97 127.478 123.145 4.333 1
1 1052 . 10 1 1 A 99 99 CYS H H 98 8.695 8.815 -0.120 1
1 1053 . 10 1 1 A 99 99 CYS HA H 98 4.822 5.087 -0.265 1
1 1056 . 10 1 1 A 99 99 CYS CA C 98 57.391 57.595 -0.204 1
1 1057 . 10 1 1 A 99 99 CYS CB C 98 30.916 32.489 -1.573 1
1 1058 . 10 1 1 A 99 99 CYS N N 98 122.622 124.158 -1.536 1
1 1059 . 10 1 1 A 100 100 GLU H H 99 8.251 8.670 -0.419 1
1 1060 . 10 1 1 A 100 100 GLU HA H 99 4.513 4.354 0.159 1
1 1064 . 10 1 1 A 100 100 GLU CA C 99 54.674 56.697 -2.023 1
1 1065 . 10 1 1 A 100 100 GLU CB C 99 31.421 30.661 0.760 1
1 1067 . 10 1 1 A 100 100 GLU N N 99 121.252 121.557 -0.305 1
1 1068 . 10 1 1 A 101 101 LYS H H 100 8.195 8.998 -0.803 1
1 1069 . 10 1 1 A 101 101 LYS HA H 100 3.953 4.110 -0.157 1
1 1077 . 10 1 1 A 101 101 LYS CA C 100 55.042 61.440 -6.398 1
1 1078 . 10 1 1 A 101 101 LYS CB C 100 31.473 30.284 1.189 1
1 1082 . 10 1 1 A 101 101 LYS N N 100 118.588 123.705 -5.117 1
1 1083 . 10 1 1 A 102 102 PRO HA H 101 4.447 4.381 0.066 1
1 1090 . 10 1 1 A 102 102 PRO CA C 101 61.513 62.937 -1.424 1
1 1091 . 10 1 1 A 102 102 PRO CB C 101 34.073 30.977 3.096 1
1 1094 . 10 1 1 A 103 103 LEU H H 102 8.384 8.105 0.279 1
1 1095 . 10 1 1 A 103 103 LEU HA H 102 4.175 4.171 0.004 1
1 1105 . 10 1 1 A 103 103 LEU CA C 102 52.733 53.749 -1.016 1
1 1106 . 10 1 1 A 103 103 LEU CB C 102 41.000 41.751 -0.751 1
1 1110 . 10 1 1 A 103 103 LEU N N 102 123.679 124.458 -0.779 1
1 1111 . 10 1 1 A 104 104 PRO HA H 103 4.658 4.716 -0.058 1
1 1118 . 10 1 1 A 104 104 PRO CA C 103 61.564 61.932 -0.368 1
1 1119 . 10 1 1 A 104 104 PRO CB C 103 32.310 32.886 -0.576 1
1 1122 . 10 1 1 A 105 105 ASP H H 104 8.605 8.715 -0.110 1
1 1123 . 10 1 1 A 105 105 ASP HA H 104 4.275 4.349 -0.074 1
1 1126 . 10 1 1 A 105 105 ASP CA C 104 57.659 56.285 1.374 1
1 1127 . 10 1 1 A 105 105 ASP CB C 104 40.754 40.001 0.753 1
1 1128 . 10 1 1 A 105 105 ASP N N 104 119.037 121.355 -2.318 1
1 1129 . 10 1 1 A 106 106 GLN H H 105 8.330 8.018 0.312 1
1 1130 . 10 1 1 A 106 106 GLN HA H 105 4.189 4.141 0.048 1
1 1135 . 10 1 1 A 106 106 GLN CA C 105 58.516 56.747 1.769 1
1 1136 . 10 1 1 A 106 106 GLN CB C 105 27.206 28.470 -1.264 1
1 1138 . 10 1 1 A 106 106 GLN N N 105 113.235 117.327 -4.092 1
1 1139 . 10 1 1 A 107 107 ALA H H 106 7.763 7.822 -0.059 1
1 1140 . 10 1 1 A 107 107 ALA HA H 106 4.862 4.102 0.760 1
1 1144 . 10 1 1 A 107 107 ALA CA C 106 50.856 52.006 -1.150 1
1 1145 . 10 1 1 A 107 107 ALA CB C 106 18.420 19.677 -1.257 1
1 1146 . 10 1 1 A 107 107 ALA N N 106 121.188 121.339 -0.151 1
1 1147 . 10 1 1 A 108 108 PHE H H 107 7.291 7.512 -0.221 1
1 1148 . 10 1 1 A 108 108 PHE HA H 107 4.675 4.846 -0.171 1
1 1156 . 10 1 1 A 108 108 PHE CA C 107 57.225 55.632 1.593 1
1 1157 . 10 1 1 A 108 108 PHE CB C 107 41.449 40.907 0.542 1
1 1163 . 10 1 1 A 108 108 PHE N N 107 114.254 116.559 -2.305 1
1 1164 . 10 1 1 A 109 109 PHE H H 108 9.089 9.192 -0.103 1
1 1165 . 10 1 1 A 109 109 PHE HA H 108 5.216 5.075 0.141 1
1 1173 . 10 1 1 A 109 109 PHE CA C 108 55.752 56.663 -0.911 1
1 1174 . 10 1 1 A 109 109 PHE CB C 108 41.744 42.359 -0.615 1
1 1180 . 10 1 1 A 109 109 PHE N N 108 119.202 121.618 -2.416 1
1 1181 . 10 1 1 A 110 110 VAL H H 109 10.389 9.058 1.331 1
1 1182 . 10 1 1 A 110 110 VAL HA H 109 4.299 4.452 -0.153 1
1 1190 . 10 1 1 A 110 110 VAL CA C 109 62.758 62.934 -0.176 1
1 1191 . 10 1 1 A 110 110 VAL CB C 109 33.099 32.250 0.849 1
1 1194 . 10 1 1 A 110 110 VAL N N 109 125.234 124.070 1.164 1
1 1195 . 10 1 1 A 111 111 LEU H H 110 8.568 8.420 0.148 1
1 1196 . 10 1 1 A 111 111 LEU HA H 110 4.872 4.633 0.239 1
1 1206 . 10 1 1 A 111 111 LEU CA C 110 54.077 55.443 -1.366 1
1 1207 . 10 1 1 A 111 111 LEU CB C 110 43.562 42.923 0.639 1
1 1211 . 10 1 1 A 111 111 LEU N N 110 130.826 130.472 0.354 1
1 1212 . 10 1 1 A 112 112 HIS H H 111 9.070 8.972 0.098 1
1 1213 . 10 1 1 A 112 112 HIS HA H 111 4.917 5.110 -0.193 1
1 1217 . 10 1 1 A 112 112 HIS CA C 111 54.229 54.906 -0.677 1
1 1218 . 10 1 1 A 112 112 HIS CB C 111 31.745 33.374 -1.629 1
1 1219 . 10 1 1 A 112 112 HIS N N 111 124.953 125.344 -0.391 1
1 1220 . 10 1 1 A 113 113 ASN H H 112 9.018 8.993 0.025 1
1 1221 . 10 1 1 A 113 113 ASN HA H 112 4.912 4.621 0.291 1
1 1224 . 10 1 1 A 113 113 ASN CA C 112 54.151 53.925 0.226 1
1 1225 . 10 1 1 A 113 113 ASN CB C 112 38.868 38.585 0.283 1
1 1226 . 10 1 1 A 113 113 ASN N N 112 122.645 122.841 -0.196 1
1 1227 . 10 1 1 A 114 114 MET H H 113 8.314 8.664 -0.350 1
1 1228 . 10 1 1 A 114 114 MET HA H 113 4.891 4.537 0.354 1
1 1236 . 10 1 1 A 114 114 MET CA C 113 53.171 57.110 -3.939 1
1 1237 . 10 1 1 A 114 114 MET CB C 113 32.922 34.539 -1.617 1
1 1240 . 10 1 1 A 114 114 MET N N 113 123.103 123.463 -0.360 1
1 1241 . 10 1 1 A 115 115 HIS H H 114 7.453 7.791 -0.338 1
1 1242 . 10 1 1 A 115 115 HIS HA H 114 4.664 4.866 -0.202 1
1 1246 . 10 1 1 A 115 115 HIS CA C 114 55.572 54.973 0.599 1
1 1247 . 10 1 1 A 115 115 HIS CB C 114 30.856 32.760 -1.904 1
1 1248 . 10 1 1 A 115 115 HIS N N 114 115.450 114.464 0.986 1
1 1250 . 10 1 1 A 116 116 SER CB C 115 61.131 63.128 -1.997 1
1 1251 . 10 1 1 A 117 117 ASN H H 116 8.912 8.292 0.620 1
1 1252 . 10 1 1 A 117 117 ASN HA H 116 4.556 4.968 -0.412 1
1 1255 . 10 1 1 A 117 117 ASN CA C 116 54.106 53.191 0.915 1
1 1256 . 10 1 1 A 117 117 ASN CB C 116 37.615 40.258 -2.643 1
1 1257 . 10 1 1 A 117 117 ASN N N 116 113.703 115.960 -2.257 1
1 1258 . 10 1 1 A 118 118 CYS H H 117 7.532 7.671 -0.139 1
1 1259 . 10 1 1 A 118 118 CYS HA H 117 5.316 5.316 0.000 1
1 1262 . 10 1 1 A 118 118 CYS CA C 117 58.639 57.958 0.681 1
1 1263 . 10 1 1 A 118 118 CYS CB C 117 30.949 28.757 2.192 1
1 1264 . 10 1 1 A 118 118 CYS N N 117 115.213 120.024 -4.811 1
1 1265 . 10 1 1 A 119 119 VAL H H 118 9.617 9.194 0.423 1
1 1266 . 10 1 1 A 119 119 VAL HA H 118 5.397 5.179 0.218 1
1 1274 . 10 1 1 A 119 119 VAL CA C 118 58.788 59.292 -0.504 1
1 1275 . 10 1 1 A 119 119 VAL CB C 118 35.745 35.991 -0.246 1
1 1278 . 10 1 1 A 119 119 VAL N N 118 116.144 119.730 -3.586 1
1 1279 . 10 1 1 A 120 120 SER H H 119 8.578 9.098 -0.520 1
1 1280 . 10 1 1 A 120 120 SER HA H 119 5.089 5.493 -0.404 1
1 1283 . 10 1 1 A 120 120 SER CA C 119 57.311 56.363 0.948 1
1 1284 . 10 1 1 A 120 120 SER CB C 119 67.751 65.858 1.893 1
1 1285 . 10 1 1 A 120 120 SER N N 119 113.930 116.066 -2.136 1
1 1286 . 10 1 1 A 121 121 PHE H H 120 10.612 9.450 1.162 1
1 1287 . 10 1 1 A 121 121 PHE HA H 120 5.365 5.188 0.177 1
1 1294 . 10 1 1 A 121 121 PHE CA C 120 55.797 56.806 -1.009 1
1 1295 . 10 1 1 A 121 121 PHE CB C 120 41.542 38.971 2.571 1
1 1300 . 10 1 1 A 121 121 PHE N N 120 120.777 122.661 -1.884 1
1 1301 . 10 1 1 A 122 122 GLU H H 121 9.509 9.127 0.382 1
1 1302 . 10 1 1 A 122 122 GLU HA H 121 4.537 4.465 0.072 1
1 1307 . 10 1 1 A 122 122 GLU CA C 121 53.200 56.050 -2.850 1
1 1308 . 10 1 1 A 122 122 GLU CB C 121 32.943 30.675 2.268 1
1 1310 . 10 1 1 A 122 122 GLU N N 121 126.070 126.136 -0.066 1
1 1311 . 10 1 1 A 123 123 CYS H H 122 9.405 8.924 0.481 1
1 1312 . 10 1 1 A 123 123 CYS HA H 122 4.065 4.862 -0.797 1
1 1315 . 10 1 1 A 123 123 CYS CA C 122 61.504 58.301 3.203 1
1 1316 . 10 1 1 A 123 123 CYS CB C 122 27.626 27.651 -0.025 1
1 1317 . 10 1 1 A 123 123 CYS N N 122 127.122 125.613 1.509 1
1 1318 . 10 1 1 A 124 124 LYS H H 123 7.533 8.886 -1.353 1
1 1319 . 10 1 1 A 124 124 LYS HA H 123 3.831 4.085 -0.254 1
1 1326 . 10 1 1 A 124 124 LYS CA C 123 59.245 58.702 0.543 1
1 1327 . 10 1 1 A 124 124 LYS CB C 123 32.946 32.480 0.466 1
1 1331 . 10 1 1 A 124 124 LYS N N 123 125.643 127.165 -1.522 1
1 1332 . 10 1 1 A 125 125 THR H H 124 8.020 7.708 0.312 1
1 1333 . 10 1 1 A 125 125 THR HA H 124 4.216 4.528 -0.312 1
1 1338 . 10 1 1 A 125 125 THR CA C 124 61.424 62.427 -1.003 1
1 1339 . 10 1 1 A 125 125 THR CB C 124 68.505 70.115 -1.610 1
1 1341 . 10 1 1 A 125 125 THR N N 124 102.851 107.944 -5.093 1
1 1342 . 10 1 1 A 126 126 ASP H H 125 6.456 8.058 -1.602 1
1 1343 . 10 1 1 A 126 126 ASP HA H 125 5.125 5.108 0.017 1
1 1346 . 10 1 1 A 126 126 ASP CA C 125 51.060 51.604 -0.544 1
1 1347 . 10 1 1 A 126 126 ASP CB C 125 42.308 41.621 0.687 1
1 1348 . 10 1 1 A 126 126 ASP N N 125 119.891 121.289 -1.398 1
1 1349 . 10 1 1 A 127 127 PRO HA H 126 4.366 4.240 0.126 1
1 1356 . 10 1 1 A 127 127 PRO CA C 126 63.377 63.779 -0.402 1
1 1357 . 10 1 1 A 127 127 PRO CB C 126 31.816 31.417 0.399 1
1 1360 . 10 1 1 A 128 128 GLY H H 127 10.553 8.606 1.947 1
1 1361 . 10 1 1 A 128 128 GLY HA2 H 127 3.775 3.903 -0.128 1
1 1362 . 10 1 1 A 128 128 GLY HA3 H 127 4.318 3.944 0.374 1
1 1363 . 10 1 1 A 128 128 GLY CA C 127 44.954 45.179 -0.225 1
1 1364 . 10 1 1 A 128 128 GLY N N 127 113.361 112.295 1.066 1
1 1365 . 10 1 1 A 129 129 VAL H H 128 7.846 7.403 0.443 1
1 1366 . 10 1 1 A 129 129 VAL HA H 128 4.794 4.273 0.521 1
1 1374 . 10 1 1 A 129 129 VAL CA C 128 61.754 61.982 -0.228 1
1 1375 . 10 1 1 A 129 129 VAL CB C 128 31.449 33.087 -1.638 1
1 1378 . 10 1 1 A 129 129 VAL N N 128 121.005 122.218 -1.213 1
1 1379 . 10 1 1 A 130 130 PHE H H 129 9.293 9.302 -0.009 1
1 1380 . 10 1 1 A 130 130 PHE HA H 129 5.819 5.489 0.330 1
1 1388 . 10 1 1 A 130 130 PHE CA C 129 55.600 56.223 -0.623 1
1 1389 . 10 1 1 A 130 130 PHE CB C 129 42.773 42.926 -0.153 1
1 1395 . 10 1 1 A 130 130 PHE N N 129 126.384 125.573 0.811 1
1 1396 . 10 1 1 A 131 131 ILE H H 130 8.555 8.587 -0.032 1
1 1397 . 10 1 1 A 131 131 ILE HA H 130 4.375 4.444 -0.069 1
1 1407 . 10 1 1 A 131 131 ILE CA C 130 63.278 61.544 1.734 1
1 1408 . 10 1 1 A 131 131 ILE CB C 130 37.850 37.787 0.063 1
1 1412 . 10 1 1 A 131 131 ILE N N 130 118.433 124.732 -6.299 1
1 1413 . 10 1 1 A 132 132 GLY H H 131 9.225 8.723 0.502 1
1 1414 . 10 1 1 A 132 132 GLY HA2 H 131 3.693 4.291 -0.598 1
1 1415 . 10 1 1 A 132 132 GLY HA3 H 131 5.248 4.343 0.905 1
1 1416 . 10 1 1 A 132 132 GLY CA C 131 45.218 45.131 0.087 1
1 1417 . 10 1 1 A 132 132 GLY N N 131 113.442 114.741 -1.299 1
1 1418 . 10 1 1 A 133 133 VAL H H 132 8.177 8.457 -0.280 1
1 1419 . 10 1 1 A 133 133 VAL HA H 132 4.710 4.543 0.167 1
1 1427 . 10 1 1 A 133 133 VAL CA C 132 61.537 62.471 -0.934 1
1 1428 . 10 1 1 A 133 133 VAL CB C 132 33.281 30.838 2.443 1
1 1431 . 10 1 1 A 133 133 VAL N N 132 118.438 121.247 -2.809 1
1 1432 . 10 1 1 A 134 134 LYS H H 133 8.752 8.568 0.184 1
1 1433 . 10 1 1 A 134 134 LYS HA H 133 4.472 3.809 0.663 1
1 1440 . 10 1 1 A 134 134 LYS CA C 133 55.257 59.005 -3.748 1
1 1441 . 10 1 1 A 134 134 LYS CB C 133 35.500 32.769 2.731 1
1 1445 . 10 1 1 A 134 134 LYS N N 133 127.706 129.966 -2.260 1
1 1446 . 10 1 1 A 135 135 ASP H H 134 9.321 8.112 1.209 1
1 1447 . 10 1 1 A 135 135 ASP HA H 134 4.230 4.541 -0.311 1
1 1450 . 10 1 1 A 135 135 ASP CA C 134 55.965 56.315 -0.350 1
1 1451 . 10 1 1 A 135 135 ASP CB C 134 39.212 40.714 -1.502 1
1 1452 . 10 1 1 A 135 135 ASP N N 134 126.815 117.938 8.877 1
1 1453 . 10 1 1 A 136 136 ASN H H 135 8.603 7.718 0.885 1
1 1454 . 10 1 1 A 136 136 ASN HA H 135 4.380 4.892 -0.512 1
1 1457 . 10 1 1 A 136 136 ASN CA C 135 54.117 52.986 1.131 1
1 1458 . 10 1 1 A 136 136 ASN CB C 135 37.384 40.173 -2.789 1
1 1459 . 10 1 1 A 136 136 ASN N N 135 113.023 116.166 -3.143 1
1 1460 . 10 1 1 A 137 137 HIS H H 136 8.112 7.279 0.833 1
1 1461 . 10 1 1 A 137 137 HIS HA H 136 5.116 4.973 0.143 1
1 1465 . 10 1 1 A 137 137 HIS CA C 136 54.190 54.231 -0.041 1
1 1466 . 10 1 1 A 137 137 HIS CB C 136 31.681 31.756 -0.075 1
1 1467 . 10 1 1 A 137 137 HIS N N 136 115.753 116.039 -0.286 1
1 1468 . 10 1 1 A 138 138 LEU H H 137 8.553 8.482 0.071 1
1 1469 . 10 1 1 A 138 138 LEU HA H 137 5.251 4.681 0.570 1
1 1479 . 10 1 1 A 138 138 LEU CA C 137 54.147 54.933 -0.786 1
1 1480 . 10 1 1 A 138 138 LEU CB C 137 42.849 42.621 0.228 1
1 1484 . 10 1 1 A 138 138 LEU N N 137 118.446 120.975 -2.529 1
1 1485 . 10 1 1 A 139 139 ALA H H 138 9.357 8.870 0.487 1
1 1486 . 10 1 1 A 139 139 ALA HA H 138 4.760 4.904 -0.144 1
1 1490 . 10 1 1 A 139 139 ALA CA C 138 51.091 51.479 -0.388 1
1 1491 . 10 1 1 A 139 139 ALA CB C 138 22.924 23.273 -0.349 1
1 1492 . 10 1 1 A 139 139 ALA N N 138 126.689 123.882 2.807 1
1 1493 . 10 1 1 A 140 140 LEU H H 139 7.287 8.689 -1.402 1
1 1494 . 10 1 1 A 140 140 LEU HA H 139 5.278 4.579 0.699 1
1 1504 . 10 1 1 A 140 140 LEU CA C 139 53.026 54.558 -1.532 1
1 1505 . 10 1 1 A 140 140 LEU CB C 139 42.025 40.969 1.056 1
1 1509 . 10 1 1 A 140 140 LEU N N 139 116.219 120.867 -4.648 1
1 1510 . 10 1 1 A 141 141 ILE H H 140 9.676 8.918 0.758 1
1 1511 . 10 1 1 A 141 141 ILE HA H 140 4.321 4.613 -0.292 1
1 1521 . 10 1 1 A 141 141 ILE CA C 140 59.331 60.491 -1.160 1
1 1522 . 10 1 1 A 141 141 ILE CB C 140 40.745 38.501 2.244 1
1 1526 . 10 1 1 A 141 141 ILE N N 140 124.052 125.981 -1.929 1
1 1527 . 10 1 1 A 142 142 LYS H H 141 8.665 8.684 -0.019 1
1 1528 . 10 1 1 A 142 142 LYS HA H 141 5.053 4.725 0.328 1
1 1534 . 10 1 1 A 142 142 LYS CA C 141 55.586 56.470 -0.884 1
1 1535 . 10 1 1 A 142 142 LYS CB C 141 32.709 32.855 -0.146 1
1 1539 . 10 1 1 A 142 142 LYS N N 141 128.856 128.628 0.228 1
1 1540 . 10 1 1 A 143 143 VAL H H 142 8.757 8.907 -0.150 1
1 1541 . 10 1 1 A 143 143 VAL HA H 142 4.223 4.756 -0.533 1
1 1549 . 10 1 1 A 143 143 VAL CA C 142 62.032 60.599 1.433 1
1 1550 . 10 1 1 A 143 143 VAL CB C 142 33.008 35.645 -2.637 1
1 1553 . 10 1 1 A 143 143 VAL N N 142 127.220 126.972 0.248 1
1 1554 . 10 1 1 A 144 144 ASP H H 143 8.595 8.778 -0.183 1
1 1555 . 10 1 1 A 144 144 ASP HA H 143 4.698 5.206 -0.508 1
1 1557 . 10 1 1 A 144 144 ASP CB C 143 41.517 42.765 -1.248 1
1 1558 . 10 1 1 A 144 144 ASP N N 143 125.250 128.161 -2.911 1
1 1559 . 10 1 1 A 145 145 SER H H 144 8.296 8.767 -0.471 1
1 1560 . 10 1 1 A 145 145 SER HA H 144 4.455 4.096 0.359 1
1 1563 . 10 1 1 A 145 145 SER CA C 144 58.814 59.955 -1.141 1
1 1564 . 10 1 1 A 145 145 SER CB C 144 63.202 62.942 0.260 1
1 1565 . 10 1 1 A 145 145 SER N N 144 116.695 120.787 -4.092 1
1 1566 . 10 1 1 A 146 146 SER H H 145 8.512 8.893 -0.381 1
1 1567 . 10 1 1 A 146 146 SER HA H 145 4.393 4.206 0.187 1
1 1570 . 10 1 1 A 146 146 SER CA C 145 59.286 59.499 -0.213 1
1 1571 . 10 1 1 A 146 146 SER CB C 145 63.396 62.993 0.403 1
1 1572 . 10 1 1 A 146 146 SER N N 145 117.509 119.311 -1.802 1
1 1573 . 10 1 1 A 147 147 GLU H H 146 8.145 7.814 0.331 1
1 1574 . 10 1 1 A 147 147 GLU HA H 146 4.351 4.477 -0.126 1
1 1578 . 10 1 1 A 147 147 GLU CA C 146 56.389 57.922 -1.533 1
1 1579 . 10 1 1 A 147 147 GLU N N 146 121.023 120.196 0.827 1
1 1580 . 10 1 1 A 148 148 ASN H H 147 8.145 7.763 0.382 1
1 1581 . 10 1 1 A 148 148 ASN HA H 147 4.584 5.020 -0.436 1
1 1584 . 10 1 1 A 148 148 ASN CA C 147 53.643 52.139 1.504 1
1 1585 . 10 1 1 A 148 148 ASN CB C 147 38.423 38.678 -0.255 1
1 1586 . 10 1 1 A 148 148 ASN N N 147 118.043 115.602 2.441 1
1 1587 . 10 1 1 A 149 149 LEU H H 148 7.953 8.109 -0.156 1
1 1588 . 10 1 1 A 149 149 LEU HA H 148 4.294 4.065 0.229 1
1 1598 . 10 1 1 A 149 149 LEU CA C 148 55.249 56.445 -1.196 1
1 1599 . 10 1 1 A 149 149 LEU CB C 148 42.000 41.626 0.374 1
1 1603 . 10 1 1 A 149 149 LEU N N 148 120.366 120.609 -0.243 1
1 1604 . 10 1 1 A 150 150 CYS H H 149 8.141 7.825 0.316 1
1 1605 . 10 1 1 A 150 150 CYS HA H 149 4.517 4.626 -0.109 1
1 1608 . 10 1 1 A 150 150 CYS CA C 149 57.817 58.178 -0.361 1
1 1609 . 10 1 1 A 150 150 CYS CB C 149 27.529 26.499 1.030 1
1 1610 . 10 1 1 A 150 150 CYS N N 149 118.879 114.740 4.139 1
1 1611 . 10 1 1 A 151 151 THR H H 150 7.892 7.125 0.767 1
1 1612 . 10 1 1 A 151 151 THR HA H 150 4.191 4.282 -0.091 1
1 1617 . 10 1 1 A 151 151 THR CA C 150 61.680 63.397 -1.717 1
1 1618 . 10 1 1 A 151 151 THR CB C 150 68.930 68.006 0.924 1
1 1620 . 10 1 1 A 151 151 THR N N 150 117.354 116.665 0.689 1
1 1621 . 10 1 1 A 152 152 GLU H H 151 8.547 8.669 -0.122 1
1 1622 . 10 1 1 A 152 152 GLU HA H 151 3.600 3.881 -0.281 1
1 1627 . 10 1 1 A 152 152 GLU CA C 151 59.126 58.482 0.644 1
1 1628 . 10 1 1 A 152 152 GLU CB C 151 28.575 28.873 -0.298 1
1 1630 . 10 1 1 A 152 152 GLU N N 151 122.526 125.675 -3.149 1
1 1631 . 10 1 1 A 153 153 ASN H H 152 8.140 8.142 -0.002 1
1 1632 . 10 1 1 A 153 153 ASN HA H 152 4.525 4.452 0.073 1
1 1635 . 10 1 1 A 153 153 ASN CA C 152 54.838 56.231 -1.393 1
1 1636 . 10 1 1 A 153 153 ASN CB C 152 37.230 38.224 -0.994 1
1 1637 . 10 1 1 A 153 153 ASN N N 152 113.916 118.047 -4.131 1
1 1638 . 10 1 1 A 154 154 ILE H H 153 6.885 7.054 -0.169 1
1 1639 . 10 1 1 A 154 154 ILE HA H 153 5.150 4.208 0.942 1
1 1649 . 10 1 1 A 154 154 ILE CA C 153 60.523 62.061 -1.538 1
1 1650 . 10 1 1 A 154 154 ILE CB C 153 38.399 38.157 0.242 1
1 1654 . 10 1 1 A 154 154 ILE N N 153 108.606 111.705 -3.099 1
1 1655 . 10 1 1 A 155 155 LEU H H 154 7.162 7.185 -0.023 1
1 1656 . 10 1 1 A 155 155 LEU HA H 154 4.654 4.215 0.439 1
1 1666 . 10 1 1 A 155 155 LEU CA C 154 54.179 54.692 -0.513 1
1 1667 . 10 1 1 A 155 155 LEU CB C 154 43.178 41.482 1.696 1
1 1671 . 10 1 1 A 155 155 LEU N N 154 123.152 124.215 -1.063 1
1 1672 . 10 1 1 A 156 156 PHE H H 155 9.292 9.392 -0.100 1
1 1673 . 10 1 1 A 156 156 PHE HA H 155 5.175 5.478 -0.303 1
1 1681 . 10 1 1 A 156 156 PHE CA C 155 56.409 56.466 -0.057 1
1 1682 . 10 1 1 A 156 156 PHE CB C 155 43.001 43.506 -0.505 1
1 1688 . 10 1 1 A 156 156 PHE N N 155 119.900 124.389 -4.489 1
1 1689 . 10 1 1 A 157 157 LYS H H 156 9.195 9.018 0.177 1
1 1690 . 10 1 1 A 157 157 LYS HA H 156 4.966 5.115 -0.149 1
1 1698 . 10 1 1 A 157 157 LYS CA C 156 55.200 55.143 0.057 1
1 1699 . 10 1 1 A 157 157 LYS CB C 156 35.002 35.894 -0.892 1
1 1703 . 10 1 1 A 157 157 LYS N N 156 118.435 119.488 -1.053 1
1 1704 . 10 1 1 A 158 158 LEU H H 157 8.769 8.998 -0.229 1
1 1705 . 10 1 1 A 158 158 LEU HA H 157 5.356 5.190 0.166 1
1 1715 . 10 1 1 A 158 158 LEU CA C 157 53.173 53.561 -0.388 1
1 1716 . 10 1 1 A 158 158 LEU CB C 157 44.220 44.747 -0.527 1
1 1720 . 10 1 1 A 158 158 LEU N N 157 122.607 124.566 -1.959 1
1 1721 . 10 1 1 A 159 159 SER H H 158 8.462 8.766 -0.304 1
1 1722 . 10 1 1 A 159 159 SER HA H 158 4.854 5.006 -0.152 1
1 1724 . 10 1 1 A 159 159 SER CA C 158 57.305 57.482 -0.177 1
1 1725 . 10 1 1 A 159 159 SER CB C 158 64.330 66.253 -1.923 1
1 1726 . 10 1 1 A 159 159 SER N N 158 116.051 116.571 -0.520 1
1 1727 . 10 1 1 A 160 160 GLU H H 159 9.008 8.808 0.200 1
1 1728 . 10 1 1 A 160 160 GLU HA H 159 4.606 4.710 -0.104 1
1 1732 . 10 1 1 A 160 160 GLU CA C 159 56.956 55.638 1.318 1
1 1733 . 10 1 1 A 160 160 GLU CB C 159 30.452 29.200 1.252 1
1 1735 . 10 1 1 A 160 160 GLU N N 159 124.532 124.770 -0.238 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 154 1.277 1
3 1 1 1 "RMS(OBS, PRED)" CB 149 1.338 1
4 1 1 1 "RMS(OBS, PRED)" H 149 0.574 1
5 1 1 1 "RMS(OBS, PRED)" HA 158 0.337 1
6 1 1 1 "RMS(OBS, PRED)" N 149 3.064 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 154 1.271 1
9 1 2 1 "RMS(OBS, PRED)" CB 149 1.278 1
10 1 2 1 "RMS(OBS, PRED)" H 149 0.569 1
11 1 2 1 "RMS(OBS, PRED)" HA 158 0.337 1
12 1 2 1 "RMS(OBS, PRED)" N 149 3.068 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 154 1.302 1
15 1 3 1 "RMS(OBS, PRED)" CB 149 1.367 1
16 1 3 1 "RMS(OBS, PRED)" H 149 0.578 1
17 1 3 1 "RMS(OBS, PRED)" HA 158 0.343 1
18 1 3 1 "RMS(OBS, PRED)" N 149 3.111 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 154 1.301 1
21 1 4 1 "RMS(OBS, PRED)" CB 149 1.393 1
22 1 4 1 "RMS(OBS, PRED)" H 149 0.556 1
23 1 4 1 "RMS(OBS, PRED)" HA 158 0.350 1
24 1 4 1 "RMS(OBS, PRED)" N 149 3.142 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 154 1.313 1
27 1 5 1 "RMS(OBS, PRED)" CB 149 1.355 1
28 1 5 1 "RMS(OBS, PRED)" H 149 0.552 1
29 1 5 1 "RMS(OBS, PRED)" HA 158 0.353 1
30 1 5 1 "RMS(OBS, PRED)" N 149 3.170 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 154 1.259 1
33 1 6 1 "RMS(OBS, PRED)" CB 149 1.395 1
34 1 6 1 "RMS(OBS, PRED)" H 149 0.582 1
35 1 6 1 "RMS(OBS, PRED)" HA 158 0.329 1
36 1 6 1 "RMS(OBS, PRED)" N 149 2.849 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 154 1.281 1
39 1 7 1 "RMS(OBS, PRED)" CB 149 1.448 1
40 1 7 1 "RMS(OBS, PRED)" H 149 0.580 1
41 1 7 1 "RMS(OBS, PRED)" HA 158 0.353 1
42 1 7 1 "RMS(OBS, PRED)" N 149 3.026 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 154 1.288 1
45 1 8 1 "RMS(OBS, PRED)" CB 149 1.388 1
46 1 8 1 "RMS(OBS, PRED)" H 149 0.534 1
47 1 8 1 "RMS(OBS, PRED)" HA 158 0.330 1
48 1 8 1 "RMS(OBS, PRED)" N 149 2.929 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 154 1.275 1
51 1 9 1 "RMS(OBS, PRED)" CB 149 1.322 1
52 1 9 1 "RMS(OBS, PRED)" H 149 0.559 1
53 1 9 1 "RMS(OBS, PRED)" HA 158 0.348 1
54 1 9 1 "RMS(OBS, PRED)" N 149 2.886 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 154 1.294 1
57 1 10 1 "RMS(OBS, PRED)" CB 149 1.455 1
58 1 10 1 "RMS(OBS, PRED)" H 149 0.538 1
59 1 10 1 "RMS(OBS, PRED)" HA 158 0.343 1
60 1 10 1 "RMS(OBS, PRED)" N 149 2.942 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 4 4 ILE H H 3 8.198 8.012 0.186 2
1 2 . 1 1 A 4 4 ILE HA H 3 4.246 4.100 0.146 2
1 12 . 1 1 A 4 4 ILE CA C 3 61.002 62.622 -1.620 2
1 13 . 1 1 A 4 4 ILE CB C 3 38.400 39.288 -0.888 2
1 17 . 1 1 A 4 4 ILE N N 3 121.904 121.701 0.203 2
1 18 . 1 1 A 5 5 THR H H 4 8.045 7.734 0.311 2
1 19 . 1 1 A 5 5 THR HA H 4 4.328 4.422 -0.094 2
1 24 . 1 1 A 5 5 THR CA C 4 61.754 61.105 0.649 2
1 25 . 1 1 A 5 5 THR CB C 4 69.755 69.946 -0.191 2
1 27 . 1 1 A 5 5 THR N N 4 117.078 112.153 4.925 2
1 28 . 1 1 A 6 6 GLY H H 5 8.294 8.548 -0.254 2
1 29 . 1 1 A 6 6 GLY HA2 H 5 3.978 3.897 0.081 2
1 30 . 1 1 A 6 6 GLY HA3 H 5 4.040 3.904 0.136 2
1 31 . 1 1 A 6 6 GLY CA C 5 45.204 46.195 -0.991 2
1 32 . 1 1 A 6 6 GLY N N 5 110.823 113.132 -2.309 2
1 33 . 1 1 A 7 7 ILE H H 6 7.850 7.712 0.138 2
1 34 . 1 1 A 7 7 ILE HA H 6 4.507 4.366 0.141 2
1 44 . 1 1 A 7 7 ILE CA C 6 61.058 60.208 0.850 2
1 45 . 1 1 A 7 7 ILE CB C 6 39.405 39.257 0.149 2
1 49 . 1 1 A 7 7 ILE N N 6 117.894 118.675 -0.781 2
1 50 . 1 1 A 8 8 SER H H 7 8.484 8.790 -0.306 2
1 51 . 1 1 A 8 8 SER HA H 7 5.138 5.117 0.021 2
1 54 . 1 1 A 8 8 SER CA C 7 55.586 55.360 0.226 2
1 55 . 1 1 A 8 8 SER CB C 7 63.867 65.011 -1.145 2
1 56 . 1 1 A 8 8 SER N N 7 119.581 118.505 1.076 2
1 57 . 1 1 A 9 9 PRO HA H 8 4.070 4.176 -0.106 2
1 64 . 1 1 A 9 9 PRO CA C 8 62.783 62.679 0.104 2
1 65 . 1 1 A 9 9 PRO CB C 8 32.390 31.840 0.550 2
1 68 . 1 1 A 10 10 ILE H H 9 8.916 8.691 0.226 2
1 69 . 1 1 A 10 10 ILE HA H 9 4.231 4.128 0.103 2
1 79 . 1 1 A 10 10 ILE CA C 9 62.297 62.996 -0.699 2
1 80 . 1 1 A 10 10 ILE CB C 9 39.145 38.829 0.316 2
1 84 . 1 1 A 10 10 ILE N N 9 119.667 119.040 0.627 2
1 85 . 1 1 A 11 11 THR H H 10 7.263 7.532 -0.269 2
1 86 . 1 1 A 11 11 THR HA H 10 4.577 4.609 -0.032 2
1 91 . 1 1 A 11 11 THR CA C 10 60.889 61.081 -0.192 2
1 92 . 1 1 A 11 11 THR CB C 10 69.698 71.138 -1.440 2
1 94 . 1 1 A 11 11 THR N N 10 112.847 112.396 0.451 2
1 95 . 1 1 A 12 12 GLU H H 11 8.157 8.861 -0.704 2
1 96 . 1 1 A 12 12 GLU HA H 11 5.689 5.367 0.322 2
1 100 . 1 1 A 12 12 GLU CA C 11 54.700 55.155 -0.455 2
1 101 . 1 1 A 12 12 GLU CB C 11 33.384 33.038 0.346 2
1 103 . 1 1 A 12 12 GLU N N 11 122.192 126.511 -4.319 2
1 104 . 1 1 A 13 13 TYR H H 12 8.917 8.746 0.171 2
1 105 . 1 1 A 13 13 TYR HA H 12 4.919 5.159 -0.240 2
1 112 . 1 1 A 13 13 TYR CA C 12 56.453 56.356 0.097 2
1 113 . 1 1 A 13 13 TYR CB C 12 40.158 40.608 -0.450 2
1 118 . 1 1 A 13 13 TYR N N 12 119.678 120.628 -0.950 2
1 119 . 1 1 A 14 14 LEU H H 13 8.420 8.590 -0.170 2
1 120 . 1 1 A 14 14 LEU HA H 13 5.201 4.843 0.358 2
1 130 . 1 1 A 14 14 LEU CA C 13 53.778 54.348 -0.570 2
1 131 . 1 1 A 14 14 LEU CB C 13 43.570 43.017 0.553 2
1 135 . 1 1 A 14 14 LEU N N 13 121.655 121.563 0.092 2
1 136 . 1 1 A 15 15 ALA H H 14 9.227 8.836 0.391 2
1 137 . 1 1 A 15 15 ALA HA H 14 4.979 5.050 -0.070 2
1 141 . 1 1 A 15 15 ALA CA C 14 50.832 51.555 -0.723 2
1 142 . 1 1 A 15 15 ALA CB C 14 23.479 23.342 0.137 2
1 143 . 1 1 A 15 15 ALA N N 14 124.927 125.219 -0.292 2
1 144 . 1 1 A 16 16 SER H H 15 9.006 8.841 0.165 2
1 145 . 1 1 A 16 16 SER HA H 15 5.044 5.156 -0.112 2
1 148 . 1 1 A 16 16 SER CA C 15 57.379 56.539 0.840 2
1 149 . 1 1 A 16 16 SER CB C 15 64.811 64.532 0.279 2
1 150 . 1 1 A 16 16 SER N N 15 115.217 116.695 -1.478 2
1 151 . 1 1 A 17 17 LEU H H 16 9.299 8.799 0.500 2
1 152 . 1 1 A 17 17 LEU HA H 16 5.350 4.661 0.689 2
1 162 . 1 1 A 17 17 LEU CA C 16 54.150 55.248 -1.098 2
1 163 . 1 1 A 17 17 LEU CB C 16 45.483 42.129 3.354 2
1 167 . 1 1 A 17 17 LEU N N 16 125.526 126.587 -1.061 2
1 168 . 1 1 A 18 18 SER H H 17 9.032 9.163 -0.131 2
1 169 . 1 1 A 18 18 SER HA H 17 5.707 5.340 0.367 2
1 172 . 1 1 A 18 18 SER CA C 17 56.078 57.267 -1.189 2
1 173 . 1 1 A 18 18 SER CB C 17 66.504 65.560 0.944 2
1 174 . 1 1 A 18 18 SER N N 17 118.219 121.778 -3.559 2
1 175 . 1 1 A 19 19 THR H H 18 9.122 8.898 0.224 2
1 176 . 1 1 A 19 19 THR HA H 18 4.651 4.404 0.247 2
1 182 . 1 1 A 19 19 THR CA C 18 60.871 61.325 -0.454 2
1 183 . 1 1 A 19 19 THR CB C 18 71.214 70.823 0.391 2
1 185 . 1 1 A 19 19 THR N N 18 110.542 117.358 -6.816 2
1 186 . 1 1 A 20 20 TYR H H 19 7.890 8.977 -1.087 2
1 187 . 1 1 A 20 20 TYR HA H 19 3.895 4.176 -0.281 2
1 194 . 1 1 A 20 20 TYR CA C 19 61.228 60.213 1.015 2
1 195 . 1 1 A 20 20 TYR CB C 19 39.123 39.024 0.099 2
1 200 . 1 1 A 20 20 TYR N N 19 119.460 123.102 -3.642 2
1 201 . 1 1 A 21 21 ASN H H 20 7.312 7.784 -0.472 2
1 202 . 1 1 A 21 21 ASN HA H 20 4.663 4.820 -0.157 2
1 205 . 1 1 A 21 21 ASN CA C 20 52.035 52.487 -0.452 2
1 206 . 1 1 A 21 21 ASN CB C 20 37.228 38.448 -1.220 2
1 207 . 1 1 A 21 21 ASN N N 20 112.235 116.704 -4.468 2
1 208 . 1 1 A 22 22 ASP H H 21 7.919 7.852 0.067 2
1 209 . 1 1 A 22 22 ASP HA H 21 4.210 4.133 0.077 2
1 212 . 1 1 A 22 22 ASP CA C 21 56.289 55.477 0.812 2
1 213 . 1 1 A 22 22 ASP CB C 21 38.389 39.496 -1.107 2
1 214 . 1 1 A 22 22 ASP N N 21 113.136 116.508 -3.372 2
1 215 . 1 1 A 23 23 GLN H H 22 7.621 7.344 0.277 2
1 216 . 1 1 A 23 23 GLN HA H 22 4.576 4.751 -0.175 2
1 221 . 1 1 A 23 23 GLN CA C 22 55.474 54.526 0.948 2
1 222 . 1 1 A 23 23 GLN CB C 22 29.609 30.837 -1.228 2
1 224 . 1 1 A 23 23 GLN N N 22 115.930 118.127 -2.197 2
1 225 . 1 1 A 24 24 SER H H 23 8.847 8.718 0.129 2
1 226 . 1 1 A 24 24 SER HA H 23 4.699 5.143 -0.444 2
1 229 . 1 1 A 24 24 SER CA C 23 59.518 57.252 2.266 2
1 230 . 1 1 A 24 24 SER CB C 23 64.710 65.649 -0.939 2
1 231 . 1 1 A 24 24 SER N N 23 118.760 117.319 1.441 2
1 232 . 1 1 A 25 25 ILE H H 24 7.851 8.754 -0.903 2
1 233 . 1 1 A 25 25 ILE HA H 24 4.685 4.513 0.172 2
1 243 . 1 1 A 25 25 ILE CA C 24 59.480 60.833 -1.353 2
1 244 . 1 1 A 25 25 ILE CB C 24 36.204 38.334 -2.130 2
1 248 . 1 1 A 25 25 ILE N N 24 122.951 124.242 -1.291 2
1 249 . 1 1 A 26 26 THR H H 25 8.865 8.722 0.143 2
1 250 . 1 1 A 26 26 THR HA H 25 4.615 4.776 -0.161 2
1 255 . 1 1 A 26 26 THR CA C 25 59.720 61.549 -1.829 2
1 256 . 1 1 A 26 26 THR CB C 25 70.755 70.213 0.541 2
1 258 . 1 1 A 26 26 THR N N 25 123.404 122.995 0.409 2
1 259 . 1 1 A 27 27 PHE H H 26 8.614 9.115 -0.501 2
1 260 . 1 1 A 27 27 PHE HA H 26 4.986 4.926 0.060 2
1 268 . 1 1 A 27 27 PHE CA C 26 55.673 56.458 -0.785 2
1 269 . 1 1 A 27 27 PHE CB C 26 40.422 39.212 1.210 2
1 275 . 1 1 A 27 27 PHE N N 26 120.710 126.017 -5.307 2
1 276 . 1 1 A 28 28 ALA H H 27 8.989 8.640 0.349 2
1 277 . 1 1 A 28 28 ALA HA H 27 4.719 4.673 0.046 2
1 281 . 1 1 A 28 28 ALA CA C 27 51.105 51.163 -0.058 2
1 282 . 1 1 A 28 28 ALA CB C 27 20.169 19.620 0.549 2
1 283 . 1 1 A 28 28 ALA N N 27 127.571 127.834 -0.262 2
1 284 . 1 1 A 29 29 LEU H H 28 8.302 8.700 -0.398 2
1 285 . 1 1 A 29 29 LEU HA H 28 4.388 4.837 -0.449 2
1 295 . 1 1 A 29 29 LEU CA C 28 54.689 53.585 1.104 2
1 296 . 1 1 A 29 29 LEU CB C 28 42.072 42.712 -0.640 2
1 300 . 1 1 A 29 29 LEU N N 28 123.967 123.729 0.238 2
1 301 . 1 1 A 30 30 GLU H H 29 8.426 8.696 -0.270 2
1 302 . 1 1 A 30 30 GLU HA H 29 4.383 4.521 -0.138 2
1 306 . 1 1 A 30 30 GLU CA C 29 55.674 55.219 0.455 2
1 307 . 1 1 A 30 30 GLU CB C 29 30.616 31.168 -0.552 2
1 309 . 1 1 A 30 30 GLU N N 29 123.800 123.527 0.273 2
1 310 . 1 1 A 31 31 ASP H H 30 8.504 8.775 -0.271 2
1 311 . 1 1 A 31 31 ASP HA H 30 4.359 4.247 0.112 2
1 314 . 1 1 A 31 31 ASP CA C 30 55.650 57.025 -1.375 2
1 315 . 1 1 A 31 31 ASP CB C 30 39.912 40.708 -0.796 2
1 316 . 1 1 A 31 31 ASP N N 30 121.263 122.012 -0.749 2
1 317 . 1 1 A 32 32 GLU H H 31 8.235 7.912 0.323 2
1 318 . 1 1 A 32 32 GLU HA H 31 4.039 4.352 -0.313 2
1 323 . 1 1 A 32 32 GLU CA C 31 56.572 55.914 0.658 2
1 324 . 1 1 A 32 32 GLU CB C 31 29.099 31.302 -2.203 2
1 326 . 1 1 A 32 32 GLU N N 31 115.284 113.524 1.760 2
1 327 . 1 1 A 33 33 SER H H 32 7.854 7.449 0.405 2
1 328 . 1 1 A 33 33 SER HA H 32 4.556 4.672 -0.116 2
1 330 . 1 1 A 33 33 SER CA C 32 57.848 56.832 1.016 2
1 331 . 1 1 A 33 33 SER CB C 32 64.080 65.106 -1.026 2
1 332 . 1 1 A 33 33 SER N N 32 114.403 116.024 -1.621 2
1 333 . 1 1 A 34 34 TYR H H 33 8.117 9.017 -0.900 2
1 334 . 1 1 A 34 34 TYR HA H 33 4.995 4.996 -0.001 2
1 341 . 1 1 A 34 34 TYR CA C 33 56.928 56.563 0.365 2
1 342 . 1 1 A 34 34 TYR CB C 33 39.116 39.856 -0.740 2
1 347 . 1 1 A 34 34 TYR N N 33 119.987 123.288 -3.302 2
1 348 . 1 1 A 35 35 GLU H H 34 8.466 8.698 -0.232 2
1 349 . 1 1 A 35 35 GLU HA H 34 4.574 5.042 -0.468 2
1 352 . 1 1 A 35 35 GLU CA C 34 55.417 55.484 -0.067 2
1 353 . 1 1 A 35 35 GLU CB C 34 33.071 32.331 0.740 2
1 355 . 1 1 A 35 35 GLU N N 34 120.614 124.001 -3.387 2
1 356 . 1 1 A 36 36 ILE H H 35 8.485 8.701 -0.216 2
1 357 . 1 1 A 36 36 ILE HA H 35 4.713 4.853 -0.140 2
1 367 . 1 1 A 36 36 ILE CA C 35 60.138 60.101 0.037 2
1 368 . 1 1 A 36 36 ILE CB C 35 39.383 40.363 -0.980 2
1 372 . 1 1 A 36 36 ILE N N 35 121.673 124.178 -2.505 2
1 373 . 1 1 A 37 37 TYR H H 36 8.725 8.467 0.258 2
1 374 . 1 1 A 37 37 TYR HA H 36 5.148 5.419 -0.271 2
1 380 . 1 1 A 37 37 TYR CA C 36 55.698 56.158 -0.460 2
1 381 . 1 1 A 37 37 TYR CB C 36 40.866 42.323 -1.457 2
1 386 . 1 1 A 37 37 TYR N N 36 125.169 124.139 1.030 2
1 387 . 1 1 A 38 38 VAL H H 37 7.859 8.705 -0.846 2
1 388 . 1 1 A 38 38 VAL HA H 37 4.636 4.614 0.022 2
1 396 . 1 1 A 38 38 VAL CA C 37 60.937 61.706 -0.770 2
1 397 . 1 1 A 38 38 VAL CB C 37 32.382 32.740 -0.358 2
1 400 . 1 1 A 38 38 VAL N N 37 120.727 121.863 -1.136 2
1 401 . 1 1 A 39 39 GLU H H 38 8.885 8.846 0.039 2
1 402 . 1 1 A 39 39 GLU HA H 38 4.690 4.864 -0.174 2
1 407 . 1 1 A 39 39 GLU CA C 38 55.174 54.938 0.236 2
1 408 . 1 1 A 39 39 GLU CB C 38 33.421 32.135 1.286 2
1 410 . 1 1 A 39 39 GLU N N 38 124.823 127.281 -2.458 2
1 411 . 1 1 A 40 40 ASP H H 39 8.646 8.772 -0.126 2
1 412 . 1 1 A 40 40 ASP HA H 39 4.721 5.216 -0.495 2
1 415 . 1 1 A 40 40 ASP CA C 39 54.340 53.166 1.174 2
1 416 . 1 1 A 40 40 ASP CB C 39 40.839 42.852 -2.014 2
1 417 . 1 1 A 40 40 ASP N N 39 122.400 122.365 0.036 2
1 418 . 1 1 A 41 41 LEU H H 40 8.133 8.892 -0.759 2
1 419 . 1 1 A 41 41 LEU HA H 40 4.430 4.617 -0.187 2
1 429 . 1 1 A 41 41 LEU CA C 40 54.553 54.127 0.426 2
1 430 . 1 1 A 41 41 LEU CB C 40 42.942 42.753 0.189 2
1 434 . 1 1 A 41 41 LEU N N 40 122.394 125.476 -3.082 2
1 435 . 1 1 A 42 42 LYS H H 41 8.659 8.830 -0.171 2
1 436 . 1 1 A 42 42 LYS HA H 41 4.357 4.519 -0.162 2
1 442 . 1 1 A 42 42 LYS CA C 41 55.924 57.014 -1.090 2
1 443 . 1 1 A 42 42 LYS CB C 41 32.421 34.120 -1.699 2
1 447 . 1 1 A 42 42 LYS N N 41 122.920 122.654 0.266 2
1 448 . 1 1 A 43 43 LYS H H 42 8.371 8.113 0.258 2
1 449 . 1 1 A 43 43 LYS HA H 42 4.223 4.505 -0.282 2
1 455 . 1 1 A 43 43 LYS CA C 42 56.924 56.180 0.744 2
1 456 . 1 1 A 43 43 LYS CB C 42 32.671 33.821 -1.150 2
1 460 . 1 1 A 43 43 LYS N N 42 121.924 116.893 5.031 2
1 461 . 1 1 A 44 44 ASP H H 43 8.355 8.290 0.065 2
1 462 . 1 1 A 44 44 ASP HA H 43 4.556 4.823 -0.267 2
1 464 . 1 1 A 44 44 ASP CA C 43 54.243 53.472 0.771 2
1 465 . 1 1 A 44 44 ASP CB C 43 40.582 40.437 0.145 2
1 466 . 1 1 A 44 44 ASP N N 43 118.485 118.789 -0.304 2
1 467 . 1 1 A 45 45 GLU H H 44 8.011 8.592 -0.581 2
1 468 . 1 1 A 45 45 GLU HA H 44 4.313 4.832 -0.520 2
1 473 . 1 1 A 45 45 GLU CA C 44 56.362 55.023 1.339 2
1 474 . 1 1 A 45 45 GLU CB C 44 30.265 31.935 -1.670 2
1 476 . 1 1 A 45 45 GLU N N 44 119.516 123.742 -4.226 2
1 477 . 1 1 A 46 46 LYS H H 45 8.304 8.608 -0.304 2
1 478 . 1 1 A 46 46 LYS HA H 45 4.307 4.480 -0.173 2
1 485 . 1 1 A 46 46 LYS CA C 45 56.424 56.449 -0.025 2
1 486 . 1 1 A 46 46 LYS CB C 45 32.421 33.208 -0.787 2
1 490 . 1 1 A 46 46 LYS N N 45 121.875 123.809 -1.934 2
1 491 . 1 1 A 47 47 LYS H H 46 8.280 8.649 -0.369 2
1 492 . 1 1 A 47 47 LYS HA H 46 4.469 4.768 -0.299 2
1 498 . 1 1 A 47 47 LYS CA C 46 55.514 54.574 0.940 2
1 499 . 1 1 A 47 47 LYS CB C 46 33.264 35.069 -1.805 2
1 503 . 1 1 A 47 47 LYS N N 46 122.374 122.788 -0.414 2
1 504 . 1 1 A 48 48 ASP H H 47 8.778 8.620 0.158 2
1 505 . 1 1 A 48 48 ASP HA H 47 4.811 4.964 -0.153 2
1 507 . 1 1 A 48 48 ASP CA C 47 54.357 54.088 0.269 2
1 508 . 1 1 A 48 48 ASP CB C 47 41.842 42.183 -0.341 2
1 509 . 1 1 A 48 48 ASP N N 47 122.211 121.302 0.909 2
1 510 . 1 1 A 49 49 LYS H H 48 8.388 8.557 -0.169 2
1 511 . 1 1 A 49 49 LYS HA H 48 4.593 4.924 -0.331 2
1 519 . 1 1 A 49 49 LYS CA C 48 55.134 55.163 -0.029 2
1 520 . 1 1 A 49 49 LYS CB C 48 34.993 34.614 0.379 2
1 524 . 1 1 A 49 49 LYS N N 48 120.889 123.943 -3.054 2
1 525 . 1 1 A 50 50 VAL H H 49 9.063 8.811 0.252 2
1 526 . 1 1 A 50 50 VAL HA H 49 4.097 4.612 -0.515 2
1 534 . 1 1 A 50 50 VAL CA C 49 59.275 60.628 -1.353 2
1 535 . 1 1 A 50 50 VAL CB C 49 33.958 34.472 -0.514 2
1 538 . 1 1 A 50 50 VAL N N 49 118.350 122.078 -3.728 2
1 539 . 1 1 A 51 51 LEU H H 50 8.238 8.756 -0.518 2
1 540 . 1 1 A 51 51 LEU HA H 50 4.561 4.553 0.008 2
1 550 . 1 1 A 51 51 LEU CA C 50 54.877 54.719 0.158 2
1 551 . 1 1 A 51 51 LEU CB C 50 42.481 42.599 -0.118 2
1 555 . 1 1 A 51 51 LEU N N 50 125.236 130.413 -5.178 2
1 556 . 1 1 A 52 52 LEU H H 51 9.286 8.968 0.318 2
1 557 . 1 1 A 52 52 LEU HA H 51 5.190 5.393 -0.203 2
1 567 . 1 1 A 52 52 LEU CA C 51 54.228 53.370 0.858 2
1 568 . 1 1 A 52 52 LEU CB C 51 42.961 43.397 -0.436 2
1 572 . 1 1 A 52 52 LEU N N 51 134.513 130.208 4.304 2
1 573 . 1 1 A 53 53 SER H H 52 7.992 8.863 -0.871 2
1 574 . 1 1 A 53 53 SER HA H 52 5.233 5.418 -0.185 2
1 577 . 1 1 A 53 53 SER CA C 52 56.869 56.865 0.004 2
1 578 . 1 1 A 53 53 SER CB C 52 62.776 65.471 -2.695 2
1 579 . 1 1 A 53 53 SER N N 52 117.641 120.531 -2.890 2
1 580 . 1 1 A 54 54 TYR H H 53 8.703 8.990 -0.287 2
1 581 . 1 1 A 54 54 TYR HA H 53 5.611 5.453 0.158 2
1 588 . 1 1 A 54 54 TYR CA C 53 56.264 57.422 -1.157 2
1 589 . 1 1 A 54 54 TYR CB C 53 40.455 41.203 -0.749 2
1 594 . 1 1 A 54 54 TYR N N 53 122.503 124.676 -2.173 2
1 595 . 1 1 A 55 55 TYR H H 54 9.813 9.181 0.632 2
1 596 . 1 1 A 55 55 TYR HA H 54 4.983 5.105 -0.122 2
1 603 . 1 1 A 55 55 TYR CA C 54 56.465 56.253 0.212 2
1 604 . 1 1 A 55 55 TYR CB C 54 41.898 42.753 -0.855 2
1 609 . 1 1 A 55 55 TYR N N 54 120.204 120.312 -0.108 2
1 610 . 1 1 A 56 56 GLU H H 55 8.804 8.924 -0.120 2
1 611 . 1 1 A 56 56 GLU HA H 55 4.913 5.049 -0.136 2
1 616 . 1 1 A 56 56 GLU CA C 55 55.700 55.248 0.452 2
1 617 . 1 1 A 56 56 GLU CB C 55 31.684 31.677 0.007 2
1 619 . 1 1 A 56 56 GLU N N 55 120.472 122.110 -1.638 2
1 620 . 1 1 A 57 57 SER H H 56 8.580 8.741 -0.161 2
1 621 . 1 1 A 57 57 SER HA H 56 4.619 4.869 -0.250 2
1 624 . 1 1 A 57 57 SER CA C 56 57.332 57.054 0.278 2
1 625 . 1 1 A 57 57 SER CB C 56 64.338 64.425 -0.087 2
1 626 . 1 1 A 57 57 SER N N 56 117.342 119.043 -1.701 2
1 627 . 1 1 A 58 58 GLN H H 57 8.426 8.670 -0.244 2
1 628 . 1 1 A 58 58 GLN HA H 57 4.482 4.889 -0.407 2
1 632 . 1 1 A 58 58 GLN CA C 57 55.364 54.532 0.832 2
1 633 . 1 1 A 58 58 GLN CB C 57 29.603 31.220 -1.617 2
1 635 . 1 1 A 58 58 GLN N N 57 121.444 124.477 -3.033 2
1 636 . 1 1 A 59 59 HIS H H 58 8.481 8.926 -0.445 2
1 637 . 1 1 A 59 59 HIS HA H 58 4.862 4.856 0.006 2
1 641 . 1 1 A 59 59 HIS CA C 58 54.055 54.344 -0.290 2
1 642 . 1 1 A 59 59 HIS CB C 58 30.237 30.433 -0.196 2
1 643 . 1 1 A 59 59 HIS N N 58 122.199 123.504 -1.305 2
1 644 . 1 1 A 60 60 PRO HA H 59 4.506 4.423 0.083 2
1 650 . 1 1 A 60 60 PRO CA C 59 63.254 63.590 -0.336 2
1 651 . 1 1 A 60 60 PRO CB C 59 31.829 31.645 0.184 2
1 654 . 1 1 A 62 62 ASN H H 61 8.465 8.441 0.024 2
1 655 . 1 1 A 62 62 ASN HA H 61 4.769 4.899 -0.130 2
1 657 . 1 1 A 62 62 ASN CA C 61 53.310 52.895 0.415 2
1 658 . 1 1 A 62 62 ASN CB C 61 38.545 39.245 -0.700 2
1 659 . 1 1 A 62 62 ASN N N 61 120.049 120.603 -0.554 2
1 660 . 1 1 A 63 63 GLU H H 62 8.369 8.219 0.150 2
1 661 . 1 1 A 63 63 GLU HA H 62 4.348 4.404 -0.056 2
1 666 . 1 1 A 63 63 GLU CA C 62 56.828 56.494 0.334 2
1 667 . 1 1 A 63 63 GLU CB C 62 30.044 29.936 0.108 2
1 669 . 1 1 A 63 63 GLU N N 62 120.260 121.775 -1.515 2
1 670 . 1 1 A 64 64 SER H H 63 8.254 8.377 -0.123 2
1 671 . 1 1 A 64 64 SER HA H 63 4.494 4.549 -0.055 2
1 674 . 1 1 A 64 64 SER CA C 63 58.213 58.559 -0.346 2
1 675 . 1 1 A 64 64 SER CB C 63 63.799 63.849 -0.050 2
1 676 . 1 1 A 64 64 SER N N 63 115.291 118.380 -3.089 2
1 677 . 1 1 A 65 65 GLY H H 64 8.294 8.290 0.004 2
1 678 . 1 1 A 65 65 GLY HA2 H 64 4.001 4.043 -0.042 2
1 679 . 1 1 A 65 65 GLY CA C 64 45.306 45.492 -0.186 2
1 680 . 1 1 A 65 65 GLY N N 64 110.364 111.948 -1.584 2
1 681 . 1 1 A 66 66 ASP H H 65 8.227 8.389 -0.162 2
1 682 . 1 1 A 66 66 ASP HA H 65 4.664 4.300 0.364 2
1 684 . 1 1 A 66 66 ASP CA C 65 54.180 54.973 -0.793 2
1 685 . 1 1 A 66 66 ASP CB C 65 41.160 39.340 1.820 2
1 686 . 1 1 A 66 66 ASP N N 65 119.894 118.641 1.253 2
1 687 . 1 1 A 67 67 GLY H H 66 8.379 8.204 0.175 2
1 688 . 1 1 A 67 67 GLY HA2 H 66 3.997 4.149 -0.152 2
1 689 . 1 1 A 67 67 GLY CA C 66 45.216 45.454 -0.238 2
1 690 . 1 1 A 67 67 GLY N N 66 108.939 109.278 -0.339 2
1 691 . 1 1 A 68 68 VAL H H 67 8.008 8.289 -0.281 2
1 692 . 1 1 A 68 68 VAL HA H 67 4.164 4.411 -0.247 2
1 700 . 1 1 A 68 68 VAL CA C 67 62.133 60.901 1.232 2
1 701 . 1 1 A 68 68 VAL CB C 67 32.509 31.890 0.619 2
1 704 . 1 1 A 68 68 VAL N N 67 118.651 118.044 0.607 2
1 705 . 1 1 A 69 69 ASP H H 68 8.441 8.314 0.127 2
1 706 . 1 1 A 69 69 ASP HA H 68 4.664 4.341 0.323 2
1 709 . 1 1 A 69 69 ASP CA C 68 54.211 55.136 -0.925 2
1 710 . 1 1 A 69 69 ASP CB C 68 40.995 39.392 1.603 2
1 711 . 1 1 A 69 69 ASP N N 68 122.953 119.258 3.695 2
1 712 . 1 1 A 70 70 GLY H H 69 8.231 8.318 -0.087 2
1 713 . 1 1 A 70 70 GLY HA2 H 69 3.980 4.105 -0.125 2
1 714 . 1 1 A 70 70 GLY CA C 69 45.347 45.475 -0.128 2
1 715 . 1 1 A 70 70 GLY N N 69 108.501 109.080 -0.579 2
1 716 . 1 1 A 71 71 LYS H H 70 8.097 7.866 0.231 2
1 717 . 1 1 A 71 71 LYS HA H 70 4.552 4.280 0.272 2
1 725 . 1 1 A 71 71 LYS CA C 70 55.514 56.263 -0.749 2
1 726 . 1 1 A 71 71 LYS CB C 70 33.267 33.178 0.089 2
1 730 . 1 1 A 71 71 LYS N N 70 120.089 120.190 -0.101 2
1 731 . 1 1 A 72 72 MET H H 71 8.485 8.488 -0.003 2
1 732 . 1 1 A 72 72 MET HA H 71 4.622 4.554 0.068 2
1 740 . 1 1 A 72 72 MET CA C 71 54.810 55.163 -0.353 2
1 741 . 1 1 A 72 72 MET CB C 71 34.060 33.105 0.955 2
1 744 . 1 1 A 72 72 MET N N 71 121.815 121.409 0.406 2
1 745 . 1 1 A 73 73 LEU H H 72 8.792 8.869 -0.077 2
1 746 . 1 1 A 73 73 LEU HA H 72 5.140 5.011 0.129 2
1 756 . 1 1 A 73 73 LEU CA C 72 53.671 53.777 -0.106 2
1 757 . 1 1 A 73 73 LEU CB C 72 44.258 43.097 1.161 2
1 761 . 1 1 A 73 73 LEU N N 72 124.871 125.597 -0.726 2
1 762 . 1 1 A 74 74 MET H H 73 9.089 8.872 0.217 2
1 763 . 1 1 A 74 74 MET HA H 73 5.741 5.166 0.575 2
1 770 . 1 1 A 74 74 MET CA C 73 53.328 54.765 -1.437 2
1 771 . 1 1 A 74 74 MET CB C 73 36.526 34.575 1.951 2
1 774 . 1 1 A 74 74 MET N N 73 119.200 123.547 -4.347 2
1 775 . 1 1 A 75 75 VAL H H 74 10.046 8.910 1.136 2
1 776 . 1 1 A 75 75 VAL HA H 74 6.298 5.112 1.186 2
1 784 . 1 1 A 75 75 VAL CA C 74 58.377 60.181 -1.804 2
1 785 . 1 1 A 75 75 VAL CB C 74 36.528 35.547 0.981 2
1 788 . 1 1 A 75 75 VAL N N 74 116.505 119.991 -3.486 2
1 789 . 1 1 A 76 76 THR H H 75 8.519 9.114 -0.595 2
1 790 . 1 1 A 76 76 THR HA H 75 4.978 5.395 -0.417 2
1 795 . 1 1 A 76 76 THR CA C 75 59.451 60.268 -0.817 2
1 796 . 1 1 A 76 76 THR CB C 75 71.755 71.263 0.492 2
1 798 . 1 1 A 76 76 THR N N 75 111.166 119.154 -7.988 2
1 799 . 1 1 A 77 77 LEU H H 76 10.195 9.220 0.975 2
1 800 . 1 1 A 77 77 LEU HA H 76 5.175 5.061 0.113 2
1 810 . 1 1 A 77 77 LEU CA C 76 55.214 53.448 1.766 2
1 811 . 1 1 A 77 77 LEU CB C 76 45.718 43.180 2.538 2
1 815 . 1 1 A 77 77 LEU N N 76 121.235 126.732 -5.497 2
1 816 . 1 1 A 78 78 SER H H 77 8.596 8.706 -0.110 2
1 817 . 1 1 A 78 78 SER HA H 77 5.427 4.833 0.594 2
1 821 . 1 1 A 78 78 SER CA C 77 52.060 55.564 -3.504 2
1 822 . 1 1 A 78 78 SER CB C 77 63.768 64.032 -0.264 2
1 823 . 1 1 A 78 78 SER N N 77 116.108 119.091 -2.983 2
1 824 . 1 1 A 79 79 PRO HA H 78 4.257 4.278 -0.021 2
1 831 . 1 1 A 79 79 PRO CA C 78 62.972 63.829 -0.857 2
1 832 . 1 1 A 79 79 PRO CB C 78 31.667 31.383 0.284 2
1 835 . 1 1 A 80 80 THR H H 79 6.796 7.174 -0.378 2
1 836 . 1 1 A 80 80 THR HA H 79 4.204 4.607 -0.403 2
1 842 . 1 1 A 80 80 THR CA C 79 60.016 60.044 -0.028 2
1 843 . 1 1 A 80 80 THR CB C 79 68.509 71.079 -2.570 2
1 845 . 1 1 A 80 80 THR N N 79 110.183 107.687 2.496 2
1 846 . 1 1 A 81 81 LYS H H 80 7.638 8.668 -1.030 2
1 847 . 1 1 A 81 81 LYS HA H 80 3.744 4.094 -0.350 2
1 853 . 1 1 A 81 81 LYS CA C 80 58.578 58.532 0.046 2
1 854 . 1 1 A 81 81 LYS CB C 80 32.325 32.260 0.065 2
1 858 . 1 1 A 81 81 LYS N N 80 124.973 119.717 5.256 2
1 859 . 1 1 A 82 82 ASP H H 81 8.255 7.645 0.610 2
1 860 . 1 1 A 82 82 ASP HA H 81 4.277 3.966 0.311 2
1 863 . 1 1 A 82 82 ASP CA C 81 57.378 55.204 2.174 2
1 864 . 1 1 A 82 82 ASP CB C 81 39.348 41.141 -1.793 2
1 865 . 1 1 A 82 82 ASP N N 81 117.344 116.816 0.528 2
1 866 . 1 1 A 83 83 PHE H H 82 7.880 7.282 0.598 2
1 867 . 1 1 A 83 83 PHE HA H 82 5.243 4.434 0.809 2
1 875 . 1 1 A 83 83 PHE CA C 82 56.927 58.967 -2.040 2
1 876 . 1 1 A 83 83 PHE CB C 82 41.679 39.649 2.030 2
1 881 . 1 1 A 83 83 PHE N N 82 115.687 118.120 -2.433 2
1 882 . 1 1 A 84 84 TRP H H 83 8.718 9.062 -0.344 2
1 883 . 1 1 A 84 84 TRP HA H 83 5.445 5.138 0.307 2
1 892 . 1 1 A 84 84 TRP CA C 83 57.105 56.155 0.950 2
1 893 . 1 1 A 84 84 TRP CB C 83 33.602 32.715 0.887 2
1 898 . 1 1 A 84 84 TRP N N 83 119.999 123.384 -3.385 2
1 900 . 1 1 A 85 85 LEU H H 84 8.738 8.217 0.521 2
1 901 . 1 1 A 85 85 LEU HA H 84 4.802 4.689 0.113 2
1 911 . 1 1 A 85 85 LEU CA C 84 56.224 54.867 1.357 2
1 912 . 1 1 A 85 85 LEU CB C 84 42.532 42.296 0.236 2
1 916 . 1 1 A 85 85 LEU N N 84 123.889 123.290 0.599 2
1 917 . 1 1 A 86 86 HIS H H 85 9.563 9.240 0.323 2
1 918 . 1 1 A 86 86 HIS HA H 85 5.027 5.169 -0.142 2
1 923 . 1 1 A 86 86 HIS CA C 85 54.704 54.639 0.065 2
1 924 . 1 1 A 86 86 HIS CB C 85 33.214 32.973 0.241 2
1 926 . 1 1 A 86 86 HIS N N 85 121.782 122.410 -0.628 2
1 927 . 1 1 A 87 87 ALA H H 86 8.544 8.774 -0.229 2
1 928 . 1 1 A 87 87 ALA HA H 86 4.614 4.759 -0.145 2
1 932 . 1 1 A 87 87 ALA CA C 86 52.098 51.570 0.528 2
1 933 . 1 1 A 87 87 ALA CB C 86 20.690 19.857 0.833 2
1 934 . 1 1 A 87 87 ALA N N 86 125.230 126.388 -1.158 2
1 935 . 1 1 A 88 88 ASN H H 87 8.846 8.890 -0.044 2
1 936 . 1 1 A 88 88 ASN HA H 87 4.862 4.970 -0.107 2
1 939 . 1 1 A 88 88 ASN CA C 87 51.444 52.258 -0.814 2
1 940 . 1 1 A 88 88 ASN CB C 87 37.171 39.046 -1.875 2
1 941 . 1 1 A 88 88 ASN N N 87 121.260 122.336 -1.076 2
1 942 . 1 1 A 89 89 ASN H H 88 8.638 8.917 -0.279 2
1 943 . 1 1 A 89 89 ASN HA H 88 4.284 4.415 -0.131 2
1 946 . 1 1 A 89 89 ASN CA C 88 55.788 54.728 1.060 2
1 947 . 1 1 A 89 89 ASN CB C 88 37.818 37.881 -0.063 2
1 948 . 1 1 A 89 89 ASN N N 88 121.570 123.831 -2.261 2
1 949 . 1 1 A 90 90 LYS H H 89 8.196 7.781 0.415 2
1 950 . 1 1 A 90 90 LYS HA H 89 4.101 4.000 0.101 2
1 957 . 1 1 A 90 90 LYS CA C 89 58.402 59.281 -0.879 2
1 958 . 1 1 A 90 90 LYS CB C 89 32.018 32.483 -0.465 2
1 962 . 1 1 A 90 90 LYS N N 89 119.566 119.091 0.475 2
1 963 . 1 1 A 91 91 GLU H H 90 6.917 7.739 -0.822 2
1 964 . 1 1 A 91 91 GLU HA H 90 4.378 4.550 -0.172 2
1 969 . 1 1 A 91 91 GLU CA C 90 54.864 55.702 -0.837 2
1 970 . 1 1 A 91 91 GLU CB C 90 29.597 30.353 -0.756 2
1 972 . 1 1 A 91 91 GLU N N 90 114.145 115.822 -1.677 2
1 973 . 1 1 A 92 92 HIS H H 91 7.738 7.698 0.040 2
1 974 . 1 1 A 92 92 HIS HA H 91 4.181 4.235 -0.054 2
1 978 . 1 1 A 92 92 HIS CA C 91 57.189 56.824 0.365 2
1 979 . 1 1 A 92 92 HIS CB C 91 26.154 26.723 -0.569 2
1 980 . 1 1 A 92 92 HIS N N 91 115.238 116.215 -0.977 2
1 981 . 1 1 A 93 93 SER H H 92 8.415 7.361 1.054 2
1 982 . 1 1 A 93 93 SER HA H 92 5.185 5.098 0.087 2
1 985 . 1 1 A 93 93 SER CA C 92 56.374 57.271 -0.897 2
1 986 . 1 1 A 93 93 SER CB C 92 67.005 66.965 0.040 2
1 987 . 1 1 A 93 93 SER N N 92 113.966 112.208 1.758 2
1 988 . 1 1 A 94 94 VAL H H 93 8.251 8.822 -0.571 2
1 989 . 1 1 A 94 94 VAL HA H 93 4.868 4.910 -0.042 2
1 997 . 1 1 A 94 94 VAL CA C 93 60.478 61.281 -0.803 2
1 998 . 1 1 A 94 94 VAL CB C 93 33.120 32.976 0.144 2
1 1001 . 1 1 A 94 94 VAL N N 93 116.256 122.387 -6.131 2
1 1002 . 1 1 A 95 95 GLU H H 94 8.904 9.070 -0.166 2
1 1003 . 1 1 A 95 95 GLU HA H 94 4.878 4.983 -0.105 2
1 1008 . 1 1 A 95 95 GLU CA C 94 53.455 54.572 -1.117 2
1 1009 . 1 1 A 95 95 GLU CB C 94 34.430 33.606 0.824 2
1 1011 . 1 1 A 95 95 GLU N N 94 122.142 126.290 -4.148 2
1 1012 . 1 1 A 96 96 LEU H H 95 8.237 8.173 0.064 2
1 1013 . 1 1 A 96 96 LEU HA H 95 4.974 5.226 -0.252 2
1 1023 . 1 1 A 96 96 LEU CA C 95 53.731 53.987 -0.256 2
1 1024 . 1 1 A 96 96 LEU CB C 95 43.478 42.540 0.938 2
1 1028 . 1 1 A 96 96 LEU N N 95 121.305 122.334 -1.029 2
1 1029 . 1 1 A 97 97 HIS H H 96 8.294 9.481 -1.187 2
1 1030 . 1 1 A 97 97 HIS HA H 96 4.947 5.192 -0.245 2
1 1034 . 1 1 A 97 97 HIS CA C 96 54.144 54.458 -0.314 2
1 1035 . 1 1 A 97 97 HIS CB C 96 33.344 33.666 -0.322 2
1 1036 . 1 1 A 97 97 HIS N N 96 119.193 121.791 -2.599 2
1 1037 . 1 1 A 98 98 LYS H H 97 8.582 8.984 -0.402 2
1 1038 . 1 1 A 98 98 LYS HA H 97 4.564 4.799 -0.235 2
1 1046 . 1 1 A 98 98 LYS CA C 97 55.190 55.044 0.146 2
1 1047 . 1 1 A 98 98 LYS CB C 97 31.941 33.824 -1.883 2
1 1051 . 1 1 A 98 98 LYS N N 97 127.478 123.551 3.927 2
1 1052 . 1 1 A 99 99 CYS H H 98 8.695 8.833 -0.138 2
1 1053 . 1 1 A 99 99 CYS HA H 98 4.822 5.035 -0.213 2
1 1056 . 1 1 A 99 99 CYS CA C 98 57.391 57.584 -0.193 2
1 1057 . 1 1 A 99 99 CYS CB C 98 30.916 31.397 -0.481 2
1 1058 . 1 1 A 99 99 CYS N N 98 122.622 124.659 -2.037 2
1 1059 . 1 1 A 100 100 GLU H H 99 8.251 8.683 -0.432 2
1 1060 . 1 1 A 100 100 GLU HA H 99 4.513 4.404 0.109 2
1 1064 . 1 1 A 100 100 GLU CA C 99 54.674 56.406 -1.732 2
1 1065 . 1 1 A 100 100 GLU CB C 99 31.421 30.613 0.808 2
1 1067 . 1 1 A 100 100 GLU N N 99 121.252 121.541 -0.289 2
1 1068 . 1 1 A 101 101 LYS H H 100 8.195 9.000 -0.805 2
1 1069 . 1 1 A 101 101 LYS HA H 100 3.953 4.059 -0.106 2
1 1077 . 1 1 A 101 101 LYS CA C 100 55.042 61.394 -6.352 2
1 1078 . 1 1 A 101 101 LYS CB C 100 31.473 30.236 1.237 2
1 1082 . 1 1 A 101 101 LYS N N 100 118.588 123.507 -4.919 2
1 1083 . 1 1 A 102 102 PRO HA H 101 4.447 4.392 0.055 2
1 1090 . 1 1 A 102 102 PRO CA C 101 61.513 62.739 -1.226 2
1 1091 . 1 1 A 102 102 PRO CB C 101 34.073 30.493 3.580 2
1 1094 . 1 1 A 103 103 LEU H H 102 8.384 7.948 0.436 2
1 1095 . 1 1 A 103 103 LEU HA H 102 4.175 4.246 -0.071 2
1 1105 . 1 1 A 103 103 LEU CA C 102 52.733 53.467 -0.734 2
1 1106 . 1 1 A 103 103 LEU CB C 102 41.000 41.585 -0.585 2
1 1110 . 1 1 A 103 103 LEU N N 102 123.679 124.440 -0.761 2
1 1111 . 1 1 A 104 104 PRO HA H 103 4.658 4.651 0.007 2
1 1118 . 1 1 A 104 104 PRO CA C 103 61.564 62.193 -0.629 2
1 1119 . 1 1 A 104 104 PRO CB C 103 32.310 32.974 -0.664 2
1 1122 . 1 1 A 105 105 ASP H H 104 8.605 8.713 -0.108 2
1 1123 . 1 1 A 105 105 ASP HA H 104 4.275 4.415 -0.140 2
1 1126 . 1 1 A 105 105 ASP CA C 104 57.659 56.764 0.895 2
1 1127 . 1 1 A 105 105 ASP CB C 104 40.754 40.371 0.383 2
1 1128 . 1 1 A 105 105 ASP N N 104 119.037 121.286 -2.249 2
1 1129 . 1 1 A 106 106 GLN H H 105 8.330 8.004 0.326 2
1 1130 . 1 1 A 106 106 GLN HA H 105 4.189 4.075 0.114 2
1 1135 . 1 1 A 106 106 GLN CA C 105 58.516 56.968 1.548 2
1 1136 . 1 1 A 106 106 GLN CB C 105 27.206 28.473 -1.267 2
1 1138 . 1 1 A 106 106 GLN N N 105 113.235 117.749 -4.514 2
1 1139 . 1 1 A 107 107 ALA H H 106 7.763 7.554 0.209 2
1 1140 . 1 1 A 107 107 ALA HA H 106 4.862 3.890 0.972 2
1 1144 . 1 1 A 107 107 ALA CA C 106 50.856 52.562 -1.706 2
1 1145 . 1 1 A 107 107 ALA CB C 106 18.420 19.138 -0.718 2
1 1146 . 1 1 A 107 107 ALA N N 106 121.188 121.180 0.008 2
1 1147 . 1 1 A 108 108 PHE H H 107 7.291 7.381 -0.090 2
1 1148 . 1 1 A 108 108 PHE HA H 107 4.675 4.700 -0.026 2
1 1156 . 1 1 A 108 108 PHE CA C 107 57.225 56.262 0.963 2
1 1157 . 1 1 A 108 108 PHE CB C 107 41.449 40.212 1.237 2
1 1163 . 1 1 A 108 108 PHE N N 107 114.254 116.142 -1.888 2
1 1164 . 1 1 A 109 109 PHE H H 108 9.089 9.089 -0.000 2
1 1165 . 1 1 A 109 109 PHE HA H 108 5.216 5.154 0.062 2
1 1173 . 1 1 A 109 109 PHE CA C 108 55.752 56.769 -1.017 2
1 1174 . 1 1 A 109 109 PHE CB C 108 41.744 41.510 0.234 2
1 1180 . 1 1 A 109 109 PHE N N 108 119.202 122.200 -2.998 2
1 1181 . 1 1 A 110 110 VAL H H 109 10.389 8.935 1.454 2
1 1182 . 1 1 A 110 110 VAL HA H 109 4.299 4.272 0.027 2
1 1190 . 1 1 A 110 110 VAL CA C 109 62.758 63.146 -0.388 2
1 1191 . 1 1 A 110 110 VAL CB C 109 33.099 31.761 1.338 2
1 1194 . 1 1 A 110 110 VAL N N 109 125.234 124.500 0.734 2
1 1195 . 1 1 A 111 111 LEU H H 110 8.568 8.535 0.033 2
1 1196 . 1 1 A 111 111 LEU HA H 110 4.872 4.771 0.101 2
1 1206 . 1 1 A 111 111 LEU CA C 110 54.077 55.656 -1.579 2
1 1207 . 1 1 A 111 111 LEU CB C 110 43.562 42.694 0.868 2
1 1211 . 1 1 A 111 111 LEU N N 110 130.826 130.431 0.395 2
1 1212 . 1 1 A 112 112 HIS H H 111 9.070 9.021 0.049 2
1 1213 . 1 1 A 112 112 HIS HA H 111 4.917 5.063 -0.146 2
1 1217 . 1 1 A 112 112 HIS CA C 111 54.229 54.577 -0.348 2
1 1218 . 1 1 A 112 112 HIS CB C 111 31.745 33.281 -1.536 2
1 1219 . 1 1 A 112 112 HIS N N 111 124.953 125.529 -0.576 2
1 1220 . 1 1 A 113 113 ASN H H 112 9.018 8.953 0.065 2
1 1221 . 1 1 A 113 113 ASN HA H 112 4.912 4.767 0.145 2
1 1224 . 1 1 A 113 113 ASN CA C 112 54.151 53.413 0.738 2
1 1225 . 1 1 A 113 113 ASN CB C 112 38.868 38.844 0.024 2
1 1226 . 1 1 A 113 113 ASN N N 112 122.645 121.882 0.763 2
1 1227 . 1 1 A 114 114 MET H H 113 8.314 8.526 -0.212 2
1 1228 . 1 1 A 114 114 MET HA H 113 4.891 4.570 0.321 2
1 1236 . 1 1 A 114 114 MET CA C 113 53.171 56.806 -3.635 2
1 1237 . 1 1 A 114 114 MET CB C 113 32.922 34.130 -1.208 2
1 1240 . 1 1 A 114 114 MET N N 113 123.103 123.236 -0.133 2
1 1241 . 1 1 A 115 115 HIS H H 114 7.453 7.905 -0.452 2
1 1242 . 1 1 A 115 115 HIS HA H 114 4.664 4.871 -0.207 2
1 1246 . 1 1 A 115 115 HIS CA C 114 55.572 55.044 0.528 2
1 1247 . 1 1 A 115 115 HIS CB C 114 30.856 32.043 -1.187 2
1 1248 . 1 1 A 115 115 HIS N N 114 115.450 115.529 -0.079 2
1 1250 . 1 1 A 116 116 SER CB C 115 61.131 63.007 -1.876 2
1 1251 . 1 1 A 117 117 ASN H H 116 8.912 8.079 0.834 2
1 1252 . 1 1 A 117 117 ASN HA H 116 4.556 4.924 -0.368 2
1 1255 . 1 1 A 117 117 ASN CA C 116 54.106 53.039 1.067 2
1 1256 . 1 1 A 117 117 ASN CB C 116 37.615 40.267 -2.652 2
1 1257 . 1 1 A 117 117 ASN N N 116 113.703 115.312 -1.609 2
1 1258 . 1 1 A 118 118 CYS H H 117 7.532 7.701 -0.169 2
1 1259 . 1 1 A 118 118 CYS HA H 117 5.316 5.011 0.305 2
1 1262 . 1 1 A 118 118 CYS CA C 117 58.639 58.665 -0.026 2
1 1263 . 1 1 A 118 118 CYS CB C 117 30.949 28.414 2.535 2
1 1264 . 1 1 A 118 118 CYS N N 117 115.213 119.282 -4.069 2
1 1265 . 1 1 A 119 119 VAL H H 118 9.617 9.040 0.577 2
1 1266 . 1 1 A 119 119 VAL HA H 118 5.397 5.100 0.297 2
1 1274 . 1 1 A 119 119 VAL CA C 118 58.788 59.122 -0.334 2
1 1275 . 1 1 A 119 119 VAL CB C 118 35.745 35.996 -0.252 2
1 1278 . 1 1 A 119 119 VAL N N 118 116.144 119.417 -3.273 2
1 1279 . 1 1 A 120 120 SER H H 119 8.578 8.838 -0.260 2
1 1280 . 1 1 A 120 120 SER HA H 119 5.089 5.373 -0.284 2
1 1283 . 1 1 A 120 120 SER CA C 119 57.311 56.206 1.105 2
1 1284 . 1 1 A 120 120 SER CB C 119 67.751 66.096 1.655 2
1 1285 . 1 1 A 120 120 SER N N 119 113.930 116.998 -3.068 2
1 1286 . 1 1 A 121 121 PHE H H 120 10.612 9.250 1.362 2
1 1287 . 1 1 A 121 121 PHE HA H 120 5.365 5.217 0.148 2
1 1294 . 1 1 A 121 121 PHE CA C 120 55.797 56.479 -0.682 2
1 1295 . 1 1 A 121 121 PHE CB C 120 41.542 39.947 1.595 2
1 1300 . 1 1 A 121 121 PHE N N 120 120.777 123.047 -2.270 2
1 1301 . 1 1 A 122 122 GLU H H 121 9.509 9.265 0.244 2
1 1302 . 1 1 A 122 122 GLU HA H 121 4.537 4.843 -0.305 2
1 1307 . 1 1 A 122 122 GLU CA C 121 53.200 56.030 -2.830 2
1 1308 . 1 1 A 122 122 GLU CB C 121 32.943 31.026 1.917 2
1 1310 . 1 1 A 122 122 GLU N N 121 126.070 125.929 0.141 2
1 1311 . 1 1 A 123 123 CYS H H 122 9.405 8.973 0.432 2
1 1312 . 1 1 A 123 123 CYS HA H 122 4.065 4.816 -0.751 2
1 1315 . 1 1 A 123 123 CYS CA C 122 61.504 58.720 2.784 2
1 1316 . 1 1 A 123 123 CYS CB C 122 27.626 27.737 -0.111 2
1 1317 . 1 1 A 123 123 CYS N N 122 127.122 125.621 1.500 2
1 1318 . 1 1 A 124 124 LYS H H 123 7.533 8.844 -1.311 2
1 1319 . 1 1 A 124 124 LYS HA H 123 3.831 4.070 -0.239 2
1 1326 . 1 1 A 124 124 LYS CA C 123 59.245 58.732 0.513 2
1 1327 . 1 1 A 124 124 LYS CB C 123 32.946 32.416 0.530 2
1 1331 . 1 1 A 124 124 LYS N N 123 125.643 126.505 -0.862 2
1 1332 . 1 1 A 125 125 THR H H 124 8.020 7.715 0.305 2
1 1333 . 1 1 A 125 125 THR HA H 124 4.216 4.327 -0.110 2
1 1338 . 1 1 A 125 125 THR CA C 124 61.424 63.137 -1.713 2
1 1339 . 1 1 A 125 125 THR CB C 124 68.505 69.528 -1.023 2
1 1341 . 1 1 A 125 125 THR N N 124 102.851 109.791 -6.940 2
1 1342 . 1 1 A 126 126 ASP H H 125 6.456 8.003 -1.547 2
1 1343 . 1 1 A 126 126 ASP HA H 125 5.125 5.077 0.048 2
1 1346 . 1 1 A 126 126 ASP CA C 125 51.060 51.406 -0.346 2
1 1347 . 1 1 A 126 126 ASP CB C 125 42.308 41.662 0.646 2
1 1348 . 1 1 A 126 126 ASP N N 125 119.891 121.015 -1.124 2
1 1349 . 1 1 A 127 127 PRO HA H 126 4.366 4.257 0.109 2
1 1356 . 1 1 A 127 127 PRO CA C 126 63.377 63.746 -0.369 2
1 1357 . 1 1 A 127 127 PRO CB C 126 31.816 31.399 0.417 2
1 1360 . 1 1 A 128 128 GLY H H 127 10.553 8.646 1.907 2
1 1361 . 1 1 A 128 128 GLY HA2 H 127 3.775 3.816 -0.041 2
1 1362 . 1 1 A 128 128 GLY HA3 H 127 4.318 3.864 0.454 2
1 1363 . 1 1 A 128 128 GLY CA C 127 44.954 45.145 -0.191 2
1 1364 . 1 1 A 128 128 GLY N N 127 113.361 112.304 1.057 2
1 1365 . 1 1 A 129 129 VAL H H 128 7.846 7.212 0.635 2
1 1366 . 1 1 A 129 129 VAL HA H 128 4.794 4.339 0.455 2
1 1374 . 1 1 A 129 129 VAL CA C 128 61.754 60.843 0.911 2
1 1375 . 1 1 A 129 129 VAL CB C 128 31.449 33.720 -2.271 2
1 1378 . 1 1 A 129 129 VAL N N 128 121.005 121.727 -0.722 2
1 1379 . 1 1 A 130 130 PHE H H 129 9.293 9.222 0.071 2
1 1380 . 1 1 A 130 130 PHE HA H 129 5.819 5.507 0.312 2
1 1388 . 1 1 A 130 130 PHE CA C 129 55.600 56.303 -0.703 2
1 1389 . 1 1 A 130 130 PHE CB C 129 42.773 43.077 -0.304 2
1 1395 . 1 1 A 130 130 PHE N N 129 126.384 125.514 0.870 2
1 1396 . 1 1 A 131 131 ILE H H 130 8.555 8.708 -0.153 2
1 1397 . 1 1 A 131 131 ILE HA H 130 4.375 4.454 -0.079 2
1 1407 . 1 1 A 131 131 ILE CA C 130 63.278 61.771 1.507 2
1 1408 . 1 1 A 131 131 ILE CB C 130 37.850 38.138 -0.287 2
1 1412 . 1 1 A 131 131 ILE N N 130 118.433 124.332 -5.899 2
1 1413 . 1 1 A 132 132 GLY H H 131 9.225 8.528 0.697 2
1 1414 . 1 1 A 132 132 GLY HA2 H 131 3.693 4.287 -0.594 2
1 1415 . 1 1 A 132 132 GLY HA3 H 131 5.248 4.399 0.849 2
1 1416 . 1 1 A 132 132 GLY CA C 131 45.218 45.655 -0.437 2
1 1417 . 1 1 A 132 132 GLY N N 131 113.442 113.605 -0.163 2
1 1418 . 1 1 A 133 133 VAL H H 132 8.177 8.603 -0.426 2
1 1419 . 1 1 A 133 133 VAL HA H 132 4.710 4.476 0.234 2
1 1427 . 1 1 A 133 133 VAL CA C 132 61.537 62.979 -1.442 2
1 1428 . 1 1 A 133 133 VAL CB C 132 33.281 31.082 2.199 2
1 1431 . 1 1 A 133 133 VAL N N 132 118.438 121.245 -2.807 2
1 1432 . 1 1 A 134 134 LYS H H 133 8.752 8.581 0.171 2
1 1433 . 1 1 A 134 134 LYS HA H 133 4.472 3.916 0.556 2
1 1440 . 1 1 A 134 134 LYS CA C 133 55.257 58.831 -3.574 2
1 1441 . 1 1 A 134 134 LYS CB C 133 35.500 32.806 2.694 2
1 1445 . 1 1 A 134 134 LYS N N 133 127.706 130.052 -2.346 2
1 1446 . 1 1 A 135 135 ASP H H 134 9.321 7.852 1.469 2
1 1447 . 1 1 A 135 135 ASP HA H 134 4.230 4.535 -0.305 2
1 1450 . 1 1 A 135 135 ASP CA C 134 55.965 56.057 -0.092 2
1 1451 . 1 1 A 135 135 ASP CB C 134 39.212 41.806 -2.594 2
1 1452 . 1 1 A 135 135 ASP N N 134 126.815 118.550 8.265 2
1 1453 . 1 1 A 136 136 ASN H H 135 8.603 7.904 0.699 2
1 1454 . 1 1 A 136 136 ASN HA H 135 4.380 4.944 -0.564 2
1 1457 . 1 1 A 136 136 ASN CA C 135 54.117 52.745 1.371 2
1 1458 . 1 1 A 136 136 ASN CB C 135 37.384 40.035 -2.651 2
1 1459 . 1 1 A 136 136 ASN N N 135 113.023 113.115 -0.092 2
1 1460 . 1 1 A 137 137 HIS H H 136 8.112 7.366 0.746 2
1 1461 . 1 1 A 137 137 HIS HA H 136 5.116 5.176 -0.060 2
1 1465 . 1 1 A 137 137 HIS CA C 136 54.190 53.826 0.364 2
1 1466 . 1 1 A 137 137 HIS CB C 136 31.681 32.229 -0.548 2
1 1467 . 1 1 A 137 137 HIS N N 136 115.753 115.457 0.295 2
1 1468 . 1 1 A 138 138 LEU H H 137 8.553 8.589 -0.036 2
1 1469 . 1 1 A 138 138 LEU HA H 137 5.251 4.534 0.717 2
1 1479 . 1 1 A 138 138 LEU CA C 137 54.147 55.098 -0.951 2
1 1480 . 1 1 A 138 138 LEU CB C 137 42.849 42.452 0.397 2
1 1484 . 1 1 A 138 138 LEU N N 137 118.446 121.061 -2.615 2
1 1485 . 1 1 A 139 139 ALA H H 138 9.357 8.904 0.453 2
1 1486 . 1 1 A 139 139 ALA HA H 138 4.760 4.955 -0.195 2
1 1490 . 1 1 A 139 139 ALA CA C 138 51.091 51.138 -0.047 2
1 1491 . 1 1 A 139 139 ALA CB C 138 22.924 23.424 -0.500 2
1 1492 . 1 1 A 139 139 ALA N N 138 126.689 125.136 1.553 2
1 1493 . 1 1 A 140 140 LEU H H 139 7.287 8.706 -1.419 2
1 1494 . 1 1 A 140 140 LEU HA H 139 5.278 4.612 0.666 2
1 1504 . 1 1 A 140 140 LEU CA C 139 53.026 54.513 -1.487 2
1 1505 . 1 1 A 140 140 LEU CB C 139 42.025 41.029 0.996 2
1 1509 . 1 1 A 140 140 LEU N N 139 116.219 120.506 -4.287 2
1 1510 . 1 1 A 141 141 ILE H H 140 9.676 9.031 0.645 2
1 1511 . 1 1 A 141 141 ILE HA H 140 4.321 4.629 -0.308 2
1 1521 . 1 1 A 141 141 ILE CA C 140 59.331 60.670 -1.339 2
1 1522 . 1 1 A 141 141 ILE CB C 140 40.745 38.577 2.168 2
1 1526 . 1 1 A 141 141 ILE N N 140 124.052 125.833 -1.781 2
1 1527 . 1 1 A 142 142 LYS H H 141 8.665 8.858 -0.193 2
1 1528 . 1 1 A 142 142 LYS HA H 141 5.053 4.783 0.270 2
1 1534 . 1 1 A 142 142 LYS CA C 141 55.586 55.990 -0.404 2
1 1535 . 1 1 A 142 142 LYS CB C 141 32.709 33.314 -0.605 2
1 1539 . 1 1 A 142 142 LYS N N 141 128.856 128.695 0.161 2
1 1540 . 1 1 A 143 143 VAL H H 142 8.757 8.956 -0.198 2
1 1541 . 1 1 A 143 143 VAL HA H 142 4.223 4.763 -0.540 2
1 1549 . 1 1 A 143 143 VAL CA C 142 62.032 60.788 1.244 2
1 1550 . 1 1 A 143 143 VAL CB C 142 33.008 34.729 -1.721 2
1 1553 . 1 1 A 143 143 VAL N N 142 127.220 126.593 0.627 2
1 1554 . 1 1 A 144 144 ASP H H 143 8.595 8.827 -0.232 2
1 1555 . 1 1 A 144 144 ASP HA H 143 4.698 5.009 -0.311 2
1 1557 . 1 1 A 144 144 ASP CB C 143 41.517 42.590 -1.073 2
1 1558 . 1 1 A 144 144 ASP N N 143 125.250 127.060 -1.810 2
1 1559 . 1 1 A 145 145 SER H H 144 8.296 8.776 -0.480 2
1 1560 . 1 1 A 145 145 SER HA H 144 4.455 4.365 0.090 2
1 1563 . 1 1 A 145 145 SER CA C 144 58.814 58.968 -0.154 2
1 1564 . 1 1 A 145 145 SER CB C 144 63.202 63.258 -0.056 2
1 1565 . 1 1 A 145 145 SER N N 144 116.695 118.448 -1.753 2
1 1566 . 1 1 A 146 146 SER H H 145 8.512 8.687 -0.175 2
1 1567 . 1 1 A 146 146 SER HA H 145 4.393 4.287 0.106 2
1 1570 . 1 1 A 146 146 SER CA C 145 59.286 60.037 -0.751 2
1 1571 . 1 1 A 146 146 SER CB C 145 63.396 62.875 0.521 2
1 1572 . 1 1 A 146 146 SER N N 145 117.509 117.588 -0.079 2
1 1573 . 1 1 A 147 147 GLU H H 146 8.145 8.028 0.117 2
1 1574 . 1 1 A 147 147 GLU HA H 146 4.351 4.329 0.022 2
1 1578 . 1 1 A 147 147 GLU CA C 146 56.389 57.880 -1.491 2
1 1579 . 1 1 A 147 147 GLU N N 146 121.023 120.056 0.967 2
1 1580 . 1 1 A 148 148 ASN H H 147 8.145 7.816 0.329 2
1 1581 . 1 1 A 148 148 ASN HA H 147 4.584 4.917 -0.333 2
1 1584 . 1 1 A 148 148 ASN CA C 147 53.643 52.507 1.136 2
1 1585 . 1 1 A 148 148 ASN CB C 147 38.423 38.948 -0.525 2
1 1586 . 1 1 A 148 148 ASN N N 147 118.043 116.558 1.485 2
1 1587 . 1 1 A 149 149 LEU H H 148 7.953 7.884 0.069 2
1 1588 . 1 1 A 149 149 LEU HA H 148 4.294 4.172 0.122 2
1 1598 . 1 1 A 149 149 LEU CA C 148 55.249 56.337 -1.088 2
1 1599 . 1 1 A 149 149 LEU CB C 148 42.000 42.100 -0.100 2
1 1603 . 1 1 A 149 149 LEU N N 148 120.366 120.575 -0.208 2
1 1604 . 1 1 A 150 150 CYS H H 149 8.141 7.708 0.433 2
1 1605 . 1 1 A 150 150 CYS HA H 149 4.517 4.583 -0.066 2
1 1608 . 1 1 A 150 150 CYS CA C 149 57.817 58.000 -0.183 2
1 1609 . 1 1 A 150 150 CYS CB C 149 27.529 27.062 0.467 2
1 1610 . 1 1 A 150 150 CYS N N 149 118.879 116.640 2.239 2
1 1611 . 1 1 A 151 151 THR H H 150 7.892 7.787 0.105 2
1 1612 . 1 1 A 151 151 THR HA H 150 4.191 4.590 -0.399 2
1 1617 . 1 1 A 151 151 THR CA C 150 61.680 61.592 0.088 2
1 1618 . 1 1 A 151 151 THR CB C 150 68.930 69.736 -0.806 2
1 1620 . 1 1 A 151 151 THR N N 150 117.354 117.957 -0.603 2
1 1621 . 1 1 A 152 152 GLU H H 151 8.547 8.845 -0.298 2
1 1622 . 1 1 A 152 152 GLU HA H 151 3.600 3.917 -0.317 2
1 1627 . 1 1 A 152 152 GLU CA C 151 59.126 58.670 0.456 2
1 1628 . 1 1 A 152 152 GLU CB C 151 28.575 29.131 -0.556 2
1 1630 . 1 1 A 152 152 GLU N N 151 122.526 126.097 -3.571 2
1 1631 . 1 1 A 153 153 ASN H H 152 8.140 8.139 0.001 2
1 1632 . 1 1 A 153 153 ASN HA H 152 4.525 4.436 0.089 2
1 1635 . 1 1 A 153 153 ASN CA C 152 54.838 56.135 -1.297 2
1 1636 . 1 1 A 153 153 ASN CB C 152 37.230 38.277 -1.047 2
1 1637 . 1 1 A 153 153 ASN N N 152 113.916 117.668 -3.752 2
1 1638 . 1 1 A 154 154 ILE H H 153 6.885 7.305 -0.420 2
1 1639 . 1 1 A 154 154 ILE HA H 153 5.150 4.276 0.874 2
1 1649 . 1 1 A 154 154 ILE CA C 153 60.523 61.630 -1.107 2
1 1650 . 1 1 A 154 154 ILE CB C 153 38.399 37.530 0.869 2
1 1654 . 1 1 A 154 154 ILE N N 153 108.606 112.453 -3.847 2
1 1655 . 1 1 A 155 155 LEU H H 154 7.162 7.205 -0.043 2
1 1656 . 1 1 A 155 155 LEU HA H 154 4.654 4.562 0.092 2
1 1666 . 1 1 A 155 155 LEU CA C 154 54.179 53.594 0.585 2
1 1667 . 1 1 A 155 155 LEU CB C 154 43.178 42.706 0.472 2
1 1671 . 1 1 A 155 155 LEU N N 154 123.152 124.052 -0.900 2
1 1672 . 1 1 A 156 156 PHE H H 155 9.292 9.272 0.020 2
1 1673 . 1 1 A 156 156 PHE HA H 155 5.175 5.305 -0.130 2
1 1681 . 1 1 A 156 156 PHE CA C 155 56.409 56.500 -0.091 2
1 1682 . 1 1 A 156 156 PHE CB C 155 43.001 43.091 -0.090 2
1 1688 . 1 1 A 156 156 PHE N N 155 119.900 123.769 -3.869 2
1 1689 . 1 1 A 157 157 LYS H H 156 9.195 8.934 0.261 2
1 1690 . 1 1 A 157 157 LYS HA H 156 4.966 5.193 -0.227 2
1 1698 . 1 1 A 157 157 LYS CA C 156 55.200 54.904 0.296 2
1 1699 . 1 1 A 157 157 LYS CB C 156 35.002 36.008 -1.006 2
1 1703 . 1 1 A 157 157 LYS N N 156 118.435 119.765 -1.330 2
1 1704 . 1 1 A 158 158 LEU H H 157 8.769 9.093 -0.324 2
1 1705 . 1 1 A 158 158 LEU HA H 157 5.356 5.359 -0.003 2
1 1715 . 1 1 A 158 158 LEU CA C 157 53.173 53.513 -0.340 2
1 1716 . 1 1 A 158 158 LEU CB C 157 44.220 44.861 -0.641 2
1 1720 . 1 1 A 158 158 LEU N N 157 122.607 124.442 -1.835 2
1 1721 . 1 1 A 159 159 SER H H 158 8.462 8.860 -0.398 2
1 1722 . 1 1 A 159 159 SER HA H 158 4.854 5.123 -0.269 2
1 1724 . 1 1 A 159 159 SER CA C 158 57.305 57.332 -0.027 2
1 1725 . 1 1 A 159 159 SER CB C 158 64.330 65.138 -0.808 2
1 1726 . 1 1 A 159 159 SER N N 158 116.051 118.753 -2.702 2
1 1727 . 1 1 A 160 160 GLU H H 159 9.008 8.837 0.171 2
1 1728 . 1 1 A 160 160 GLU HA H 159 4.606 4.736 -0.130 2
1 1732 . 1 1 A 160 160 GLU CA C 159 56.956 55.637 1.319 2
1 1733 . 1 1 A 160 160 GLU CB C 159 30.452 29.173 1.279 2
1 1735 . 1 1 A 160 160 GLU N N 159 124.532 125.951 -1.419 2
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