data_11034_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 11034
_Entry.PDB_ID 2RO5
_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 3 . 1 1 1 A 2 2 LYS CA C 2 55.606 58.480 -2.874 1
1 4 . 1 1 1 A 2 2 LYS HA H 2 4.540 3.891 0.649 1
1 5 . 1 1 1 A 2 2 LYS CB C 2 32.447 31.095 1.352 1
1 13 . 1 1 1 A 2 2 LYS C C 2 177.204 175.804 1.400 1
1 14 . 1 1 1 A 3 3 ALA N N 3 126.109 121.253 4.856 1
1 15 . 1 1 1 A 3 3 ALA H H 3 8.553 7.932 0.621 1
1 16 . 1 1 1 A 3 3 ALA CA C 3 52.218 53.226 -1.008 1
1 17 . 1 1 1 A 3 3 ALA HA H 3 4.342 4.185 0.157 1
1 18 . 1 1 1 A 3 3 ALA CB C 3 19.245 18.055 1.190 1
1 22 . 1 1 1 A 3 3 ALA C C 3 179.308 177.778 1.530 1
1 23 . 1 1 1 A 4 4 THR N N 4 112.465 114.698 -2.233 1
1 24 . 1 1 1 A 4 4 THR H H 4 8.078 8.320 -0.242 1
1 25 . 1 1 1 A 4 4 THR CA C 4 61.583 62.273 -0.690 1
1 26 . 1 1 1 A 4 4 THR HA H 4 4.420 4.624 -0.204 1
1 27 . 1 1 1 A 4 4 THR CB C 4 69.460 70.681 -1.221 1
1 33 . 1 1 1 A 4 4 THR C C 4 173.474 176.003 -2.529 1
1 34 . 1 1 1 A 5 5 GLY N N 5 111.771 110.777 0.994 1
1 35 . 1 1 1 A 5 5 GLY H H 5 9.037 8.197 0.840 1
1 36 . 1 1 1 A 5 5 GLY CA C 5 44.687 46.731 -2.044 1
1 37 . 1 1 1 A 5 5 GLY HA3 H 5 4.058 3.963 0.095 1
1 38 . 1 1 1 A 5 5 GLY HA2 H 5 3.623 3.961 -0.338 1
1 39 . 1 1 1 A 5 5 GLY C C 5 174.756 174.573 0.183 1
1 40 . 1 1 1 A 6 6 ILE N N 6 121.234 120.874 0.360 1
1 41 . 1 1 1 A 6 6 ILE H H 6 8.287 7.702 0.585 1
1 42 . 1 1 1 A 6 6 ILE CA C 6 60.578 60.155 0.423 1
1 43 . 1 1 1 A 6 6 ILE HA H 6 4.132 4.590 -0.458 1
1 44 . 1 1 1 A 6 6 ILE CB C 6 38.785 39.928 -1.143 1
1 57 . 1 1 1 A 6 6 ILE C C 6 176.395 174.366 2.029 1
1 58 . 1 1 1 A 7 7 VAL N N 7 126.096 130.733 -4.637 1
1 59 . 1 1 1 A 7 7 VAL H H 7 8.237 8.775 -0.538 1
1 60 . 1 1 1 A 7 7 VAL CA C 7 60.516 62.700 -2.184 1
1 61 . 1 1 1 A 7 7 VAL HA H 7 5.002 4.197 0.805 1
1 62 . 1 1 1 A 7 7 VAL CB C 7 32.807 32.037 0.770 1
1 72 . 1 1 1 A 7 7 VAL C C 7 179.140 175.117 4.023 1
1 73 . 1 1 1 A 8 8 ARG N N 8 127.158 128.128 -0.970 1
1 74 . 1 1 1 A 8 8 ARG H H 8 9.070 8.919 0.151 1
1 75 . 1 1 1 A 8 8 ARG CA C 8 52.551 54.345 -1.794 1
1 76 . 1 1 1 A 8 8 ARG HA H 8 4.805 5.111 -0.306 1
1 77 . 1 1 1 A 8 8 ARG CB C 8 34.444 33.723 0.721 1
1 86 . 1 1 1 A 8 8 ARG C C 8 176.302 174.564 1.738 1
1 87 . 1 1 1 A 9 9 ARG N N 9 118.729 127.723 -8.994 1
1 88 . 1 1 1 A 9 9 ARG H H 9 8.630 8.651 -0.021 1
1 89 . 1 1 1 A 9 9 ARG CA C 9 54.299 55.928 -1.629 1
1 90 . 1 1 1 A 9 9 ARG HA H 9 5.115 4.479 0.636 1
1 91 . 1 1 1 A 9 9 ARG CB C 9 31.277 29.812 1.465 1
1 99 . 1 1 1 A 9 9 ARG C C 9 178.367 176.602 1.765 1
1 100 . 1 1 1 A 10 10 ILE N N 10 122.469 125.783 -3.314 1
1 101 . 1 1 1 A 10 10 ILE H H 10 7.962 8.378 -0.416 1
1 102 . 1 1 1 A 10 10 ILE CA C 10 58.715 64.303 -5.588 1
1 103 . 1 1 1 A 10 10 ILE HA H 10 4.541 4.029 0.512 1
1 104 . 1 1 1 A 10 10 ILE CB C 10 39.300 37.652 1.648 1
1 117 . 1 1 1 A 10 10 ILE C C 10 177.681 175.393 2.288 1
1 118 . 1 1 1 A 11 11 ASP N N 11 127.298 119.666 7.632 1
1 119 . 1 1 1 A 11 11 ASP H H 11 8.557 7.841 0.716 1
1 120 . 1 1 1 A 11 11 ASP CA C 11 52.440 53.255 -0.815 1
1 121 . 1 1 1 A 11 11 ASP HA H 11 4.889 4.774 0.115 1
1 122 . 1 1 1 A 11 11 ASP CB C 11 40.972 41.837 -0.865 1
1 125 . 1 1 1 A 11 11 ASP C C 11 178.929 175.653 3.276 1
1 126 . 1 1 1 A 12 12 ASP N N 12 113.147 117.713 -4.566 1
1 127 . 1 1 1 A 12 12 ASP H H 12 8.506 9.129 -0.623 1
1 128 . 1 1 1 A 12 12 ASP CA C 12 55.100 54.517 0.583 1
1 129 . 1 1 1 A 12 12 ASP HA H 12 4.054 4.498 -0.444 1
1 130 . 1 1 1 A 12 12 ASP CB C 12 38.734 39.282 -0.548 1
1 133 . 1 1 1 A 12 12 ASP C C 12 178.444 176.691 1.753 1
1 134 . 1 1 1 A 13 13 LEU N N 13 120.798 120.173 0.625 1
1 135 . 1 1 1 A 13 13 LEU H H 13 8.268 8.104 0.164 1
1 136 . 1 1 1 A 13 13 LEU CA C 13 53.160 56.430 -3.270 1
1 137 . 1 1 1 A 13 13 LEU HA H 13 4.510 4.644 -0.134 1
1 138 . 1 1 1 A 13 13 LEU CB C 13 42.040 44.969 -2.929 1
1 151 . 1 1 1 A 13 13 LEU C C 13 178.487 176.827 1.660 1
1 152 . 1 1 1 A 14 14 GLY N N 14 106.617 107.721 -1.104 1
1 153 . 1 1 1 A 14 14 GLY H H 14 7.978 8.819 -0.841 1
1 154 . 1 1 1 A 14 14 GLY CA C 14 44.441 44.878 -0.437 1
1 155 . 1 1 1 A 14 14 GLY HA3 H 14 3.380 4.049 -0.669 1
1 156 . 1 1 1 A 14 14 GLY HA2 H 14 4.168 4.049 0.119 1
1 157 . 1 1 1 A 14 14 GLY C C 14 174.619 174.421 0.198 1
1 158 . 1 1 1 A 15 15 ARG N N 15 116.828 120.272 -3.444 1
1 159 . 1 1 1 A 15 15 ARG H H 15 8.530 7.327 1.203 1
1 160 . 1 1 1 A 15 15 ARG CA C 15 54.284 56.254 -1.970 1
1 161 . 1 1 1 A 15 15 ARG HA H 15 5.202 4.382 0.820 1
1 162 . 1 1 1 A 15 15 ARG CB C 15 31.579 31.506 0.073 1
1 171 . 1 1 1 A 15 15 ARG C C 15 178.314 175.130 3.184 1
1 172 . 1 1 1 A 16 16 VAL N N 16 119.216 118.400 0.816 1
1 173 . 1 1 1 A 16 16 VAL H H 16 8.481 8.629 -0.148 1
1 174 . 1 1 1 A 16 16 VAL CA C 16 58.123 61.037 -2.914 1
1 175 . 1 1 1 A 16 16 VAL HA H 16 4.494 4.852 -0.358 1
1 176 . 1 1 1 A 16 16 VAL CB C 16 36.071 33.732 2.339 1
1 186 . 1 1 1 A 16 16 VAL C C 16 174.742 174.426 0.316 1
1 187 . 1 1 1 A 17 17 VAL N N 17 125.420 127.826 -2.406 1
1 188 . 1 1 1 A 17 17 VAL H H 17 7.990 8.857 -0.867 1
1 189 . 1 1 1 A 17 17 VAL CA C 17 61.551 63.159 -1.608 1
1 190 . 1 1 1 A 17 17 VAL HA H 17 3.882 4.140 -0.258 1
1 191 . 1 1 1 A 17 17 VAL CB C 17 32.136 31.136 1.000 1
1 201 . 1 1 1 A 17 17 VAL C C 17 176.487 175.552 0.935 1
1 202 . 1 1 1 A 18 18 ILE N N 18 125.876 128.848 -2.972 1
1 203 . 1 1 1 A 18 18 ILE H H 18 8.527 8.234 0.293 1
1 204 . 1 1 1 A 18 18 ILE CA C 18 56.210 58.421 -2.211 1
1 205 . 1 1 1 A 18 18 ILE HA H 18 4.332 4.492 -0.160 1
1 206 . 1 1 1 A 18 18 ILE CB C 18 35.827 38.181 -2.354 1
1 219 . 1 1 1 A 18 18 ILE C C 18 176.060 174.551 1.509 1
1 220 . 1 1 1 A 19 19 PRO CA C 19 62.944 63.071 -0.127 1
1 221 . 1 1 1 A 19 19 PRO HA H 19 4.549 4.521 0.028 1
1 222 . 1 1 1 A 19 19 PRO CB C 19 32.802 32.753 0.049 1
1 231 . 1 1 1 A 19 19 PRO C C 19 178.970 177.445 1.525 1
1 232 . 1 1 1 A 20 20 LYS N N 20 126.618 121.871 4.747 1
1 233 . 1 1 1 A 20 20 LYS H H 20 9.014 8.482 0.532 1
1 234 . 1 1 1 A 20 20 LYS CA C 20 59.765 58.628 1.137 1
1 235 . 1 1 1 A 20 20 LYS HA H 20 3.756 3.997 -0.241 1
1 236 . 1 1 1 A 20 20 LYS CB C 20 31.684 31.982 -0.298 1
1 247 . 1 1 1 A 20 20 LYS C C 20 179.313 177.913 1.400 1
1 248 . 1 1 1 A 21 21 GLU N N 21 117.455 120.810 -3.355 1
1 249 . 1 1 1 A 21 21 GLU H H 21 9.856 8.937 0.919 1
1 250 . 1 1 1 A 21 21 GLU CA C 21 59.771 58.778 0.993 1
1 251 . 1 1 1 A 21 21 GLU HA H 21 4.110 4.117 -0.007 1
1 252 . 1 1 1 A 21 21 GLU CB C 21 28.626 28.069 0.557 1
1 257 . 1 1 1 A 21 21 GLU C C 21 180.774 178.498 2.276 1
1 258 . 1 1 1 A 22 22 ILE N N 22 118.288 120.936 -2.648 1
1 259 . 1 1 1 A 22 22 ILE H H 22 7.074 7.454 -0.380 1
1 260 . 1 1 1 A 22 22 ILE CA C 22 63.046 64.368 -1.322 1
1 261 . 1 1 1 A 22 22 ILE HA H 22 3.849 3.907 -0.058 1
1 262 . 1 1 1 A 22 22 ILE CB C 22 36.466 37.988 -1.522 1
1 275 . 1 1 1 A 22 22 ILE C C 22 179.924 177.777 2.147 1
1 276 . 1 1 1 A 23 23 ARG N N 23 117.382 121.162 -3.780 1
1 277 . 1 1 1 A 23 23 ARG H H 23 7.830 8.097 -0.267 1
1 278 . 1 1 1 A 23 23 ARG CA C 23 60.379 59.218 1.161 1
1 279 . 1 1 1 A 23 23 ARG HA H 23 3.764 3.935 -0.171 1
1 280 . 1 1 1 A 23 23 ARG CB C 23 28.923 29.764 -0.841 1
1 288 . 1 1 1 A 23 23 ARG C C 23 180.110 178.207 1.903 1
1 289 . 1 1 1 A 24 24 ARG N N 24 115.785 119.618 -3.833 1
1 290 . 1 1 1 A 24 24 ARG H H 24 8.431 8.400 0.031 1
1 291 . 1 1 1 A 24 24 ARG CA C 24 58.531 59.136 -0.605 1
1 292 . 1 1 1 A 24 24 ARG HA H 24 4.183 4.055 0.128 1
1 293 . 1 1 1 A 24 24 ARG CB C 24 29.763 29.783 -0.020 1
1 301 . 1 1 1 A 24 24 ARG C C 24 181.515 179.130 2.385 1
1 302 . 1 1 1 A 25 25 THR N N 25 115.618 116.375 -0.757 1
1 303 . 1 1 1 A 25 25 THR H H 25 7.733 7.998 -0.265 1
1 304 . 1 1 1 A 25 25 THR CA C 25 65.778 66.437 -0.659 1
1 305 . 1 1 1 A 25 25 THR HA H 25 3.994 4.022 -0.028 1
1 306 . 1 1 1 A 25 25 THR CB C 25 68.590 68.138 0.452 1
1 312 . 1 1 1 A 25 25 THR C C 25 177.350 176.989 0.361 1
1 313 . 1 1 1 A 26 26 LEU N N 26 117.244 120.311 -3.067 1
1 314 . 1 1 1 A 26 26 LEU H H 26 7.796 7.852 -0.056 1
1 315 . 1 1 1 A 26 26 LEU CA C 26 54.352 55.809 -1.457 1
1 316 . 1 1 1 A 26 26 LEU HA H 26 4.368 4.172 0.196 1
1 317 . 1 1 1 A 26 26 LEU CB C 26 42.330 41.932 0.398 1
1 329 . 1 1 1 A 26 26 LEU C C 26 177.163 176.308 0.855 1
1 330 . 1 1 1 A 27 27 ARG N N 27 116.574 116.061 0.513 1
1 331 . 1 1 1 A 27 27 ARG H H 27 7.720 7.807 -0.087 1
1 332 . 1 1 1 A 27 27 ARG CA C 27 56.737 57.393 -0.656 1
1 333 . 1 1 1 A 27 27 ARG HA H 27 3.872 3.882 -0.010 1
1 334 . 1 1 1 A 27 27 ARG CB C 27 25.656 26.819 -1.163 1
1 340 . 1 1 1 A 27 27 ARG C C 27 176.893 174.891 2.002 1
1 341 . 1 1 1 A 28 28 ILE N N 28 116.788 118.045 -1.257 1
1 342 . 1 1 1 A 28 28 ILE H H 28 8.332 7.841 0.491 1
1 343 . 1 1 1 A 28 28 ILE CA C 28 60.527 59.878 0.649 1
1 344 . 1 1 1 A 28 28 ILE HA H 28 4.465 4.778 -0.313 1
1 345 . 1 1 1 A 28 28 ILE CB C 28 39.882 40.225 -0.343 1
1 356 . 1 1 1 A 28 28 ILE C C 28 176.976 174.602 2.374 1
1 357 . 1 1 1 A 29 29 ARG N N 29 128.150 120.921 7.229 1
1 358 . 1 1 1 A 29 29 ARG H H 29 9.187 8.911 0.276 1
1 359 . 1 1 1 A 29 29 ARG CA C 29 53.925 54.814 -0.889 1
1 360 . 1 1 1 A 29 29 ARG HA H 29 4.472 4.795 -0.323 1
1 361 . 1 1 1 A 29 29 ARG CB C 29 31.701 30.508 1.193 1
1 369 . 1 1 1 A 29 29 ARG C C 29 176.397 175.616 0.781 1
1 370 . 1 1 1 A 30 30 GLU N N 30 119.127 116.836 2.291 1
1 371 . 1 1 1 A 30 30 GLU H H 30 8.813 8.460 0.353 1
1 372 . 1 1 1 A 30 30 GLU CA C 30 58.715 56.750 1.965 1
1 373 . 1 1 1 A 30 30 GLU HA H 30 3.642 4.416 -0.774 1
1 374 . 1 1 1 A 30 30 GLU CB C 30 27.910 29.737 -1.827 1
1 379 . 1 1 1 A 30 30 GLU C C 30 178.085 176.843 1.242 1
1 380 . 1 1 1 A 31 31 GLY N N 31 113.446 107.380 6.066 1
1 381 . 1 1 1 A 31 31 GLY H H 31 8.365 8.060 0.305 1
1 382 . 1 1 1 A 31 31 GLY CA C 31 44.684 45.655 -0.971 1
1 383 . 1 1 1 A 31 31 GLY HA3 H 31 4.401 4.121 0.280 1
1 384 . 1 1 1 A 31 31 GLY HA2 H 31 3.749 4.120 -0.371 1
1 385 . 1 1 1 A 31 31 GLY C C 31 175.765 173.469 2.296 1
1 386 . 1 1 1 A 32 32 ASP N N 32 121.874 122.590 -0.716 1
1 387 . 1 1 1 A 32 32 ASP H H 32 8.288 7.717 0.571 1
1 388 . 1 1 1 A 32 32 ASP CA C 32 52.900 51.760 1.140 1
1 389 . 1 1 1 A 32 32 ASP HA H 32 4.973 4.983 -0.010 1
1 390 . 1 1 1 A 32 32 ASP CB C 32 39.908 41.689 -1.781 1
1 393 . 1 1 1 A 32 32 ASP C C 32 176.423 174.754 1.669 1
1 394 . 1 1 1 A 33 33 PRO CA C 33 61.096 62.379 -1.283 1
1 395 . 1 1 1 A 33 33 PRO HA H 33 4.774 4.979 -0.205 1
1 396 . 1 1 1 A 33 33 PRO CB C 33 31.074 32.652 -1.578 1
1 405 . 1 1 1 A 33 33 PRO C C 33 177.497 176.034 1.463 1
1 406 . 1 1 1 A 34 34 LEU N N 34 123.101 122.190 0.911 1
1 407 . 1 1 1 A 34 34 LEU H H 34 9.067 8.645 0.422 1
1 408 . 1 1 1 A 34 34 LEU CA C 34 52.842 53.160 -0.318 1
1 409 . 1 1 1 A 34 34 LEU HA H 34 5.052 5.647 -0.595 1
1 410 . 1 1 1 A 34 34 LEU CB C 34 44.012 46.265 -2.253 1
1 419 . 1 1 1 A 34 34 LEU C C 34 176.051 175.108 0.943 1
1 420 . 1 1 1 A 35 35 GLU N N 35 122.921 123.604 -0.683 1
1 421 . 1 1 1 A 35 35 GLU H H 35 9.535 9.239 0.296 1
1 422 . 1 1 1 A 35 35 GLU CA C 35 54.656 55.247 -0.591 1
1 423 . 1 1 1 A 35 35 GLU HA H 35 4.218 4.898 -0.680 1
1 424 . 1 1 1 A 35 35 GLU CB C 35 32.760 31.302 1.458 1
1 430 . 1 1 1 A 35 35 GLU C C 35 177.010 175.260 1.750 1
1 431 . 1 1 1 A 36 36 ILE N N 36 122.970 128.352 -5.382 1
1 432 . 1 1 1 A 36 36 ILE H H 36 8.514 8.773 -0.259 1
1 433 . 1 1 1 A 36 36 ILE CA C 36 60.838 60.556 0.282 1
1 434 . 1 1 1 A 36 36 ILE HA H 36 4.184 4.689 -0.505 1
1 435 . 1 1 1 A 36 36 ILE CB C 36 38.529 36.760 1.769 1
1 448 . 1 1 1 A 36 36 ILE C C 36 177.618 175.291 2.327 1
1 449 . 1 1 1 A 37 37 PHE N N 37 125.834 123.580 2.254 1
1 450 . 1 1 1 A 37 37 PHE H H 37 9.392 9.153 0.239 1
1 451 . 1 1 1 A 37 37 PHE CA C 37 55.662 55.778 -0.116 1
1 452 . 1 1 1 A 37 37 PHE HA H 37 5.087 5.296 -0.209 1
1 453 . 1 1 1 A 37 37 PHE CB C 37 42.260 41.757 0.503 1
1 456 . 1 1 1 A 37 37 PHE C C 37 175.006 172.651 2.355 1
1 457 . 1 1 1 A 38 38 VAL N N 38 116.642 123.222 -6.580 1
1 458 . 1 1 1 A 38 38 VAL H H 38 8.519 8.948 -0.429 1
1 459 . 1 1 1 A 38 38 VAL CA C 38 60.289 61.833 -1.544 1
1 460 . 1 1 1 A 38 38 VAL HA H 38 5.154 4.372 0.782 1
1 461 . 1 1 1 A 38 38 VAL CB C 38 34.258 32.575 1.683 1
1 471 . 1 1 1 A 38 38 VAL C C 38 177.654 175.463 2.191 1
1 472 . 1 1 1 A 39 39 ASP N N 39 124.423 128.242 -3.819 1
1 473 . 1 1 1 A 39 39 ASP H H 39 8.720 9.023 -0.303 1
1 474 . 1 1 1 A 39 39 ASP CA C 39 51.372 55.944 -4.572 1
1 475 . 1 1 1 A 39 39 ASP HA H 39 5.014 4.650 0.364 1
1 476 . 1 1 1 A 39 39 ASP CB C 39 42.446 42.094 0.352 1
1 479 . 1 1 1 A 39 39 ASP C C 39 178.788 176.758 2.030 1
1 480 . 1 1 1 A 40 40 ARG N N 40 117.971 114.971 3.000 1
1 481 . 1 1 1 A 40 40 ARG H H 40 8.601 7.936 0.665 1
1 482 . 1 1 1 A 40 40 ARG CA C 40 57.264 55.959 1.305 1
1 483 . 1 1 1 A 40 40 ARG HA H 40 4.174 4.607 -0.433 1
1 484 . 1 1 1 A 40 40 ARG CB C 40 29.007 30.974 -1.967 1
1 491 . 1 1 1 A 40 40 ARG C C 40 177.916 176.788 1.128 1
1 492 . 1 1 1 A 41 41 ASP N N 41 117.798 120.181 -2.383 1
1 493 . 1 1 1 A 41 41 ASP H H 41 8.138 8.184 -0.046 1
1 494 . 1 1 1 A 41 41 ASP CA C 41 53.578 55.831 -2.253 1
1 495 . 1 1 1 A 41 41 ASP HA H 41 4.723 4.697 0.026 1
1 496 . 1 1 1 A 41 41 ASP CB C 41 39.947 41.688 -1.741 1
1 499 . 1 1 1 A 41 41 ASP C C 41 178.048 177.589 0.459 1
1 500 . 1 1 1 A 42 42 GLY N N 42 106.809 106.360 0.449 1
1 501 . 1 1 1 A 42 42 GLY H H 42 8.125 7.908 0.217 1
1 502 . 1 1 1 A 42 42 GLY CA C 42 46.017 45.474 0.543 1
1 503 . 1 1 1 A 42 42 GLY HA3 H 42 4.156 4.054 0.102 1
1 504 . 1 1 1 A 42 42 GLY HA2 H 42 3.647 4.053 -0.406 1
1 505 . 1 1 1 A 42 42 GLY C C 42 174.932 173.343 1.589 1
1 506 . 1 1 1 A 43 43 GLU N N 43 116.783 119.733 -2.950 1
1 507 . 1 1 1 A 43 43 GLU H H 43 7.909 7.657 0.252 1
1 508 . 1 1 1 A 43 43 GLU CA C 43 53.603 55.516 -1.913 1
1 509 . 1 1 1 A 43 43 GLU HA H 43 4.741 4.511 0.230 1
1 510 . 1 1 1 A 43 43 GLU CB C 43 29.813 30.119 -0.306 1
1 516 . 1 1 1 A 43 43 GLU C C 43 176.455 175.040 1.415 1
1 517 . 1 1 1 A 44 44 VAL N N 44 120.785 125.956 -5.171 1
1 518 . 1 1 1 A 44 44 VAL H H 44 8.635 8.516 0.119 1
1 519 . 1 1 1 A 44 44 VAL CA C 44 61.231 62.164 -0.933 1
1 520 . 1 1 1 A 44 44 VAL HA H 44 4.503 4.389 0.114 1
1 521 . 1 1 1 A 44 44 VAL CB C 44 32.334 32.415 -0.081 1
1 531 . 1 1 1 A 44 44 VAL C C 44 175.366 175.328 0.038 1
1 532 . 1 1 1 A 45 45 ILE N N 45 126.640 128.125 -1.485 1
1 533 . 1 1 1 A 45 45 ILE H H 45 8.972 9.317 -0.345 1
1 534 . 1 1 1 A 45 45 ILE CA C 45 59.456 59.164 0.292 1
1 535 . 1 1 1 A 45 45 ILE HA H 45 4.889 4.744 0.145 1
1 536 . 1 1 1 A 45 45 ILE CB C 45 38.628 38.611 0.017 1
1 549 . 1 1 1 A 45 45 ILE C C 45 176.485 174.467 2.018 1
1 550 . 1 1 1 A 46 46 LEU N N 46 123.557 128.172 -4.615 1
1 551 . 1 1 1 A 46 46 LEU H H 46 9.340 9.045 0.295 1
1 552 . 1 1 1 A 46 46 LEU CA C 46 52.946 53.398 -0.452 1
1 553 . 1 1 1 A 46 46 LEU HA H 46 5.384 5.627 -0.243 1
1 554 . 1 1 1 A 46 46 LEU CB C 46 42.721 42.861 -0.140 1
1 564 . 1 1 1 A 46 46 LEU C C 46 177.393 175.153 2.240 1
1 565 . 1 1 1 A 47 47 LYS N N 47 119.462 127.266 -7.804 1
1 566 . 1 1 1 A 47 47 LYS H H 47 8.909 8.982 -0.073 1
1 567 . 1 1 1 A 47 47 LYS CA C 47 53.220 54.707 -1.487 1
1 568 . 1 1 1 A 47 47 LYS HA H 47 4.959 4.937 0.022 1
1 569 . 1 1 1 A 47 47 LYS CB C 47 35.877 35.483 0.394 1
1 578 . 1 1 1 A 48 48 LYS CA C 48 58.654 58.594 0.060 1
1 579 . 1 1 1 A 48 48 LYS HA H 48 4.251 4.712 -0.461 1
1 580 . 1 1 1 A 48 48 LYS CB C 48 31.479 31.969 -0.490 1
1 591 . 1 1 1 A 48 48 LYS C C 48 178.183 177.141 1.042 1
1 592 . 1 1 1 A 49 49 TYR N N 49 125.460 120.366 5.094 1
1 593 . 1 1 1 A 49 49 TYR H H 49 8.189 8.061 0.128 1
1 594 . 1 1 1 A 49 49 TYR CA C 49 57.281 59.583 -2.302 1
1 595 . 1 1 1 A 49 49 TYR HA H 49 4.762 4.588 0.174 1
1 596 . 1 1 1 A 49 49 TYR CB C 49 38.697 38.171 0.526 1
1 599 . 1 1 1 A 49 49 TYR C C 49 176.094 176.379 -0.285 1
1 600 . 1 1 1 A 50 50 SER N N 50 122.040 114.102 7.938 1
1 601 . 1 1 1 A 50 50 SER H H 50 8.045 9.205 -1.160 1
1 602 . 1 1 1 A 50 50 SER CA C 50 54.280 62.291 -8.011 1
1 603 . 1 1 1 A 50 50 SER HA H 50 4.635 3.939 0.696 1
1 604 . 1 1 1 A 50 50 SER CB C 50 62.402 62.100 0.302 1
1 607 . 1 1 1 A 51 51 PRO CA C 51 62.488 63.555 -1.067 1
1 608 . 1 1 1 A 51 51 PRO HA H 51 4.298 4.535 -0.237 1
1 609 . 1 1 1 A 51 51 PRO CB C 51 31.121 32.774 -1.653 1
1 616 . 1 1 1 A 51 51 PRO C C 51 178.546 177.241 1.305 1
1 617 . 1 1 1 A 52 52 ILE N N 52 118.973 117.528 1.445 1
1 618 . 1 1 1 A 52 52 ILE H H 52 7.963 8.568 -0.605 1
1 619 . 1 1 1 A 52 52 ILE CA C 52 60.234 63.392 -3.158 1
1 620 . 1 1 1 A 52 52 ILE HA H 52 4.198 3.858 0.340 1
1 621 . 1 1 1 A 52 52 ILE CB C 52 37.863 36.711 1.152 1
1 634 . 1 1 1 A 52 52 ILE C C 52 177.929 175.655 2.274 1
1 635 . 1 1 1 A 53 53 SER N N 53 118.194 122.611 -4.417 1
1 636 . 1 1 1 A 53 53 SER H H 53 8.203 8.730 -0.527 1
1 637 . 1 1 1 A 53 53 SER CA C 53 57.318 58.407 -1.089 1
1 638 . 1 1 1 A 53 53 SER HA H 53 4.480 4.658 -0.178 1
1 639 . 1 1 1 A 53 53 SER CB C 53 63.124 64.039 -0.915 1
1 641 . 1 1 1 A 53 53 SER C C 53 175.932 174.725 1.207 1
1 642 . 1 1 1 A 54 54 GLU N N 54 122.542 117.007 5.535 1
1 643 . 1 1 1 A 54 54 GLU H H 54 8.347 7.560 0.787 1
1 644 . 1 1 1 A 54 54 GLU CA C 54 55.560 56.408 -0.848 1
1 645 . 1 1 1 A 54 54 GLU HA H 54 4.387 4.441 -0.054 1
1 646 . 1 1 1 A 54 54 GLU CB C 54 29.438 31.318 -1.880 1
1 651 . 1 1 1 A 54 54 GLU C C 54 176.980 177.139 -0.159 1
1 3 . 2 1 1 A 2 2 LYS CA C 2 55.606 55.130 0.476 1
1 4 . 2 1 1 A 2 2 LYS HA H 2 4.540 4.779 -0.239 1
1 5 . 2 1 1 A 2 2 LYS CB C 2 32.447 34.277 -1.830 1
1 13 . 2 1 1 A 2 2 LYS C C 2 177.204 175.343 1.861 1
1 14 . 2 1 1 A 3 3 ALA N N 3 126.109 120.920 5.189 1
1 15 . 2 1 1 A 3 3 ALA H H 3 8.553 8.556 -0.003 1
1 16 . 2 1 1 A 3 3 ALA CA C 3 52.218 52.966 -0.748 1
1 17 . 2 1 1 A 3 3 ALA HA H 3 4.342 4.027 0.315 1
1 18 . 2 1 1 A 3 3 ALA CB C 3 19.245 17.716 1.529 1
1 22 . 2 1 1 A 3 3 ALA C C 3 179.308 178.118 1.190 1
1 23 . 2 1 1 A 4 4 THR N N 4 112.465 116.568 -4.103 1
1 24 . 2 1 1 A 4 4 THR H H 4 8.078 8.289 -0.211 1
1 25 . 2 1 1 A 4 4 THR CA C 4 61.583 62.707 -1.124 1
1 26 . 2 1 1 A 4 4 THR HA H 4 4.420 4.443 -0.023 1
1 27 . 2 1 1 A 4 4 THR CB C 4 69.460 70.282 -0.822 1
1 33 . 2 1 1 A 4 4 THR C C 4 173.474 175.835 -2.361 1
1 34 . 2 1 1 A 5 5 GLY N N 5 111.771 111.046 0.725 1
1 35 . 2 1 1 A 5 5 GLY H H 5 9.037 8.230 0.807 1
1 36 . 2 1 1 A 5 5 GLY CA C 5 44.687 46.714 -2.027 1
1 37 . 2 1 1 A 5 5 GLY HA3 H 5 4.058 3.959 0.099 1
1 38 . 2 1 1 A 5 5 GLY HA2 H 5 3.623 3.957 -0.334 1
1 39 . 2 1 1 A 5 5 GLY C C 5 174.756 174.557 0.199 1
1 40 . 2 1 1 A 6 6 ILE N N 6 121.234 120.793 0.441 1
1 41 . 2 1 1 A 6 6 ILE H H 6 8.287 7.700 0.587 1
1 42 . 2 1 1 A 6 6 ILE CA C 6 60.578 60.153 0.425 1
1 43 . 2 1 1 A 6 6 ILE HA H 6 4.132 4.590 -0.458 1
1 44 . 2 1 1 A 6 6 ILE CB C 6 38.785 39.932 -1.147 1
1 57 . 2 1 1 A 6 6 ILE C C 6 176.395 174.353 2.042 1
1 58 . 2 1 1 A 7 7 VAL N N 7 126.096 131.388 -5.292 1
1 59 . 2 1 1 A 7 7 VAL H H 7 8.237 8.821 -0.584 1
1 60 . 2 1 1 A 7 7 VAL CA C 7 60.516 62.314 -1.798 1
1 61 . 2 1 1 A 7 7 VAL HA H 7 5.002 4.218 0.784 1
1 62 . 2 1 1 A 7 7 VAL CB C 7 32.807 32.366 0.441 1
1 72 . 2 1 1 A 7 7 VAL C C 7 179.140 174.843 4.297 1
1 73 . 2 1 1 A 8 8 ARG N N 8 127.158 128.213 -1.055 1
1 74 . 2 1 1 A 8 8 ARG H H 8 9.070 8.922 0.148 1
1 75 . 2 1 1 A 8 8 ARG CA C 8 52.551 54.342 -1.791 1
1 76 . 2 1 1 A 8 8 ARG HA H 8 4.805 5.115 -0.310 1
1 77 . 2 1 1 A 8 8 ARG CB C 8 34.444 33.730 0.714 1
1 86 . 2 1 1 A 8 8 ARG C C 8 176.302 174.563 1.739 1
1 87 . 2 1 1 A 9 9 ARG N N 9 118.729 127.650 -8.921 1
1 88 . 2 1 1 A 9 9 ARG H H 9 8.630 8.680 -0.050 1
1 89 . 2 1 1 A 9 9 ARG CA C 9 54.299 56.021 -1.722 1
1 90 . 2 1 1 A 9 9 ARG HA H 9 5.115 4.494 0.621 1
1 91 . 2 1 1 A 9 9 ARG CB C 9 31.277 30.167 1.110 1
1 99 . 2 1 1 A 9 9 ARG C C 9 178.367 176.605 1.762 1
1 100 . 2 1 1 A 10 10 ILE N N 10 122.469 125.558 -3.089 1
1 101 . 2 1 1 A 10 10 ILE H H 10 7.962 8.379 -0.417 1
1 102 . 2 1 1 A 10 10 ILE CA C 10 58.715 64.415 -5.700 1
1 103 . 2 1 1 A 10 10 ILE HA H 10 4.541 4.041 0.500 1
1 104 . 2 1 1 A 10 10 ILE CB C 10 39.300 37.614 1.686 1
1 117 . 2 1 1 A 10 10 ILE C C 10 177.681 175.243 2.438 1
1 118 . 2 1 1 A 11 11 ASP N N 11 127.298 119.490 7.808 1
1 119 . 2 1 1 A 11 11 ASP H H 11 8.557 7.876 0.681 1
1 120 . 2 1 1 A 11 11 ASP CA C 11 52.440 53.261 -0.821 1
1 121 . 2 1 1 A 11 11 ASP HA H 11 4.889 4.748 0.141 1
1 122 . 2 1 1 A 11 11 ASP CB C 11 40.972 41.469 -0.497 1
1 125 . 2 1 1 A 11 11 ASP C C 11 178.929 175.761 3.168 1
1 126 . 2 1 1 A 12 12 ASP N N 12 113.147 118.377 -5.230 1
1 127 . 2 1 1 A 12 12 ASP H H 12 8.506 8.853 -0.347 1
1 128 . 2 1 1 A 12 12 ASP CA C 12 55.100 56.182 -1.082 1
1 129 . 2 1 1 A 12 12 ASP HA H 12 4.054 4.395 -0.341 1
1 130 . 2 1 1 A 12 12 ASP CB C 12 38.734 40.903 -2.169 1
1 133 . 2 1 1 A 12 12 ASP C C 12 178.444 177.200 1.244 1
1 134 . 2 1 1 A 13 13 LEU N N 13 120.798 119.591 1.207 1
1 135 . 2 1 1 A 13 13 LEU H H 13 8.268 8.470 -0.202 1
1 136 . 2 1 1 A 13 13 LEU CA C 13 53.160 56.702 -3.542 1
1 137 . 2 1 1 A 13 13 LEU HA H 13 4.510 4.332 0.178 1
1 138 . 2 1 1 A 13 13 LEU CB C 13 42.040 43.782 -1.742 1
1 151 . 2 1 1 A 13 13 LEU C C 13 178.487 176.778 1.709 1
1 152 . 2 1 1 A 14 14 GLY N N 14 106.617 107.451 -0.834 1
1 153 . 2 1 1 A 14 14 GLY H H 14 7.978 8.107 -0.129 1
1 154 . 2 1 1 A 14 14 GLY CA C 14 44.441 44.853 -0.412 1
1 155 . 2 1 1 A 14 14 GLY HA3 H 14 3.380 4.068 -0.688 1
1 156 . 2 1 1 A 14 14 GLY HA2 H 14 4.168 4.067 0.101 1
1 157 . 2 1 1 A 14 14 GLY C C 14 174.619 174.448 0.171 1
1 158 . 2 1 1 A 15 15 ARG N N 15 116.828 120.054 -3.226 1
1 159 . 2 1 1 A 15 15 ARG H H 15 8.530 7.756 0.774 1
1 160 . 2 1 1 A 15 15 ARG CA C 15 54.284 56.248 -1.964 1
1 161 . 2 1 1 A 15 15 ARG HA H 15 5.202 4.347 0.855 1
1 162 . 2 1 1 A 15 15 ARG CB C 15 31.579 31.525 0.054 1
1 171 . 2 1 1 A 15 15 ARG C C 15 178.314 175.372 2.942 1
1 172 . 2 1 1 A 16 16 VAL N N 16 119.216 121.766 -2.550 1
1 173 . 2 1 1 A 16 16 VAL H H 16 8.481 8.469 0.012 1
1 174 . 2 1 1 A 16 16 VAL CA C 16 58.123 61.532 -3.409 1
1 175 . 2 1 1 A 16 16 VAL HA H 16 4.494 4.338 0.156 1
1 176 . 2 1 1 A 16 16 VAL CB C 16 36.071 31.824 4.247 1
1 186 . 2 1 1 A 16 16 VAL C C 16 174.742 175.282 -0.540 1
1 187 . 2 1 1 A 17 17 VAL N N 17 125.420 127.748 -2.328 1
1 188 . 2 1 1 A 17 17 VAL H H 17 7.990 8.710 -0.720 1
1 189 . 2 1 1 A 17 17 VAL CA C 17 61.551 63.072 -1.521 1
1 190 . 2 1 1 A 17 17 VAL HA H 17 3.882 4.164 -0.282 1
1 191 . 2 1 1 A 17 17 VAL CB C 17 32.136 31.148 0.988 1
1 201 . 2 1 1 A 17 17 VAL C C 17 176.487 175.612 0.875 1
1 202 . 2 1 1 A 18 18 ILE N N 18 125.876 128.961 -3.085 1
1 203 . 2 1 1 A 18 18 ILE H H 18 8.527 8.274 0.253 1
1 204 . 2 1 1 A 18 18 ILE CA C 18 56.210 58.041 -1.831 1
1 205 . 2 1 1 A 18 18 ILE HA H 18 4.332 4.642 -0.310 1
1 206 . 2 1 1 A 18 18 ILE CB C 18 35.827 38.388 -2.561 1
1 219 . 2 1 1 A 18 18 ILE C C 18 176.060 174.503 1.557 1
1 220 . 2 1 1 A 19 19 PRO CA C 19 62.944 63.061 -0.117 1
1 221 . 2 1 1 A 19 19 PRO HA H 19 4.549 4.520 0.029 1
1 222 . 2 1 1 A 19 19 PRO CB C 19 32.802 32.692 0.110 1
1 231 . 2 1 1 A 19 19 PRO C C 19 178.970 177.448 1.522 1
1 232 . 2 1 1 A 20 20 LYS N N 20 126.618 121.914 4.704 1
1 233 . 2 1 1 A 20 20 LYS H H 20 9.014 8.479 0.535 1
1 234 . 2 1 1 A 20 20 LYS CA C 20 59.765 58.668 1.097 1
1 235 . 2 1 1 A 20 20 LYS HA H 20 3.756 3.998 -0.242 1
1 236 . 2 1 1 A 20 20 LYS CB C 20 31.684 31.955 -0.271 1
1 247 . 2 1 1 A 20 20 LYS C C 20 179.313 177.841 1.472 1
1 248 . 2 1 1 A 21 21 GLU N N 21 117.455 120.670 -3.215 1
1 249 . 2 1 1 A 21 21 GLU H H 21 9.856 8.979 0.877 1
1 250 . 2 1 1 A 21 21 GLU CA C 21 59.771 58.769 1.002 1
1 251 . 2 1 1 A 21 21 GLU HA H 21 4.110 4.121 -0.011 1
1 252 . 2 1 1 A 21 21 GLU CB C 21 28.626 27.970 0.656 1
1 257 . 2 1 1 A 21 21 GLU C C 21 180.774 178.581 2.193 1
1 258 . 2 1 1 A 22 22 ILE N N 22 118.288 121.016 -2.728 1
1 259 . 2 1 1 A 22 22 ILE H H 22 7.074 7.381 -0.307 1
1 260 . 2 1 1 A 22 22 ILE CA C 22 63.046 64.437 -1.391 1
1 261 . 2 1 1 A 22 22 ILE HA H 22 3.849 3.883 -0.034 1
1 262 . 2 1 1 A 22 22 ILE CB C 22 36.466 38.001 -1.535 1
1 275 . 2 1 1 A 22 22 ILE C C 22 179.924 177.809 2.115 1
1 276 . 2 1 1 A 23 23 ARG N N 23 117.382 121.044 -3.662 1
1 277 . 2 1 1 A 23 23 ARG H H 23 7.830 8.209 -0.379 1
1 278 . 2 1 1 A 23 23 ARG CA C 23 60.379 59.253 1.126 1
1 279 . 2 1 1 A 23 23 ARG HA H 23 3.764 3.878 -0.114 1
1 280 . 2 1 1 A 23 23 ARG CB C 23 28.923 29.856 -0.933 1
1 288 . 2 1 1 A 23 23 ARG C C 23 180.110 178.244 1.866 1
1 289 . 2 1 1 A 24 24 ARG N N 24 115.785 120.038 -4.253 1
1 290 . 2 1 1 A 24 24 ARG H H 24 8.431 8.385 0.046 1
1 291 . 2 1 1 A 24 24 ARG CA C 24 58.531 59.195 -0.664 1
1 292 . 2 1 1 A 24 24 ARG HA H 24 4.183 4.049 0.134 1
1 293 . 2 1 1 A 24 24 ARG CB C 24 29.763 29.717 0.046 1
1 301 . 2 1 1 A 24 24 ARG C C 24 181.515 179.039 2.476 1
1 302 . 2 1 1 A 25 25 THR N N 25 115.618 115.676 -0.058 1
1 303 . 2 1 1 A 25 25 THR H H 25 7.733 7.995 -0.262 1
1 304 . 2 1 1 A 25 25 THR CA C 25 65.778 65.952 -0.174 1
1 305 . 2 1 1 A 25 25 THR HA H 25 3.994 4.071 -0.077 1
1 306 . 2 1 1 A 25 25 THR CB C 25 68.590 68.329 0.261 1
1 312 . 2 1 1 A 25 25 THR C C 25 177.350 176.808 0.542 1
1 313 . 2 1 1 A 26 26 LEU N N 26 117.244 120.338 -3.094 1
1 314 . 2 1 1 A 26 26 LEU H H 26 7.796 7.946 -0.150 1
1 315 . 2 1 1 A 26 26 LEU CA C 26 54.352 55.901 -1.549 1
1 316 . 2 1 1 A 26 26 LEU HA H 26 4.368 4.173 0.195 1
1 317 . 2 1 1 A 26 26 LEU CB C 26 42.330 42.057 0.273 1
1 329 . 2 1 1 A 26 26 LEU C C 26 177.163 176.357 0.806 1
1 330 . 2 1 1 A 27 27 ARG N N 27 116.574 116.338 0.236 1
1 331 . 2 1 1 A 27 27 ARG H H 27 7.720 7.884 -0.164 1
1 332 . 2 1 1 A 27 27 ARG CA C 27 56.737 57.442 -0.705 1
1 333 . 2 1 1 A 27 27 ARG HA H 27 3.872 3.882 -0.010 1
1 334 . 2 1 1 A 27 27 ARG CB C 27 25.656 27.017 -1.361 1
1 340 . 2 1 1 A 27 27 ARG C C 27 176.893 174.754 2.139 1
1 341 . 2 1 1 A 28 28 ILE N N 28 116.788 118.290 -1.502 1
1 342 . 2 1 1 A 28 28 ILE H H 28 8.332 7.638 0.694 1
1 343 . 2 1 1 A 28 28 ILE CA C 28 60.527 59.776 0.751 1
1 344 . 2 1 1 A 28 28 ILE HA H 28 4.465 4.843 -0.378 1
1 345 . 2 1 1 A 28 28 ILE CB C 28 39.882 41.182 -1.300 1
1 356 . 2 1 1 A 28 28 ILE C C 28 176.976 174.637 2.339 1
1 357 . 2 1 1 A 29 29 ARG N N 29 128.150 120.834 7.316 1
1 358 . 2 1 1 A 29 29 ARG H H 29 9.187 9.001 0.186 1
1 359 . 2 1 1 A 29 29 ARG CA C 29 53.925 54.747 -0.822 1
1 360 . 2 1 1 A 29 29 ARG HA H 29 4.472 4.694 -0.222 1
1 361 . 2 1 1 A 29 29 ARG CB C 29 31.701 30.819 0.882 1
1 369 . 2 1 1 A 29 29 ARG C C 29 176.397 175.687 0.710 1
1 370 . 2 1 1 A 30 30 GLU N N 30 119.127 116.460 2.667 1
1 371 . 2 1 1 A 30 30 GLU H H 30 8.813 8.417 0.396 1
1 372 . 2 1 1 A 30 30 GLU CA C 30 58.715 56.670 2.045 1
1 373 . 2 1 1 A 30 30 GLU HA H 30 3.642 4.503 -0.861 1
1 374 . 2 1 1 A 30 30 GLU CB C 30 27.910 29.415 -1.505 1
1 379 . 2 1 1 A 30 30 GLU C C 30 178.085 176.767 1.318 1
1 380 . 2 1 1 A 31 31 GLY N N 31 113.446 107.921 5.525 1
1 381 . 2 1 1 A 31 31 GLY H H 31 8.365 8.101 0.264 1
1 382 . 2 1 1 A 31 31 GLY CA C 31 44.684 45.674 -0.990 1
1 383 . 2 1 1 A 31 31 GLY HA3 H 31 4.401 4.114 0.287 1
1 384 . 2 1 1 A 31 31 GLY HA2 H 31 3.749 4.113 -0.364 1
1 385 . 2 1 1 A 31 31 GLY C C 31 175.765 173.507 2.258 1
1 386 . 2 1 1 A 32 32 ASP N N 32 121.874 122.653 -0.779 1
1 387 . 2 1 1 A 32 32 ASP H H 32 8.288 7.759 0.529 1
1 388 . 2 1 1 A 32 32 ASP CA C 32 52.900 51.777 1.123 1
1 389 . 2 1 1 A 32 32 ASP HA H 32 4.973 4.952 0.021 1
1 390 . 2 1 1 A 32 32 ASP CB C 32 39.908 41.576 -1.668 1
1 393 . 2 1 1 A 32 32 ASP C C 32 176.423 174.799 1.624 1
1 394 . 2 1 1 A 33 33 PRO CA C 33 61.096 62.525 -1.429 1
1 395 . 2 1 1 A 33 33 PRO HA H 33 4.774 4.933 -0.159 1
1 396 . 2 1 1 A 33 33 PRO CB C 33 31.074 32.872 -1.798 1
1 405 . 2 1 1 A 33 33 PRO C C 33 177.497 175.918 1.579 1
1 406 . 2 1 1 A 34 34 LEU N N 34 123.101 122.105 0.996 1
1 407 . 2 1 1 A 34 34 LEU H H 34 9.067 8.633 0.434 1
1 408 . 2 1 1 A 34 34 LEU CA C 34 52.842 53.200 -0.358 1
1 409 . 2 1 1 A 34 34 LEU HA H 34 5.052 5.588 -0.536 1
1 410 . 2 1 1 A 34 34 LEU CB C 34 44.012 46.374 -2.362 1
1 419 . 2 1 1 A 34 34 LEU C C 34 176.051 174.944 1.107 1
1 420 . 2 1 1 A 35 35 GLU N N 35 122.921 123.052 -0.131 1
1 421 . 2 1 1 A 35 35 GLU H H 35 9.535 9.282 0.253 1
1 422 . 2 1 1 A 35 35 GLU CA C 35 54.656 55.025 -0.369 1
1 423 . 2 1 1 A 35 35 GLU HA H 35 4.218 4.931 -0.713 1
1 424 . 2 1 1 A 35 35 GLU CB C 35 32.760 31.350 1.410 1
1 430 . 2 1 1 A 35 35 GLU C C 35 177.010 175.205 1.805 1
1 431 . 2 1 1 A 36 36 ILE N N 36 122.970 128.452 -5.482 1
1 432 . 2 1 1 A 36 36 ILE H H 36 8.514 8.768 -0.254 1
1 433 . 2 1 1 A 36 36 ILE CA C 36 60.838 60.577 0.261 1
1 434 . 2 1 1 A 36 36 ILE HA H 36 4.184 4.585 -0.401 1
1 435 . 2 1 1 A 36 36 ILE CB C 36 38.529 36.800 1.729 1
1 448 . 2 1 1 A 36 36 ILE C C 36 177.618 175.228 2.390 1
1 449 . 2 1 1 A 37 37 PHE N N 37 125.834 123.587 2.247 1
1 450 . 2 1 1 A 37 37 PHE H H 37 9.392 8.960 0.432 1
1 451 . 2 1 1 A 37 37 PHE CA C 37 55.662 55.921 -0.259 1
1 452 . 2 1 1 A 37 37 PHE HA H 37 5.087 5.289 -0.202 1
1 453 . 2 1 1 A 37 37 PHE CB C 37 42.260 41.724 0.536 1
1 456 . 2 1 1 A 37 37 PHE C C 37 175.006 172.656 2.350 1
1 457 . 2 1 1 A 38 38 VAL N N 38 116.642 124.163 -7.521 1
1 458 . 2 1 1 A 38 38 VAL H H 38 8.519 8.929 -0.410 1
1 459 . 2 1 1 A 38 38 VAL CA C 38 60.289 61.465 -1.176 1
1 460 . 2 1 1 A 38 38 VAL HA H 38 5.154 4.349 0.805 1
1 461 . 2 1 1 A 38 38 VAL CB C 38 34.258 32.518 1.740 1
1 471 . 2 1 1 A 38 38 VAL C C 38 177.654 176.021 1.633 1
1 472 . 2 1 1 A 39 39 ASP N N 39 124.423 128.495 -4.072 1
1 473 . 2 1 1 A 39 39 ASP H H 39 8.720 8.947 -0.227 1
1 474 . 2 1 1 A 39 39 ASP CA C 39 51.372 56.928 -5.556 1
1 475 . 2 1 1 A 39 39 ASP HA H 39 5.014 4.398 0.616 1
1 476 . 2 1 1 A 39 39 ASP CB C 39 42.446 41.523 0.923 1
1 479 . 2 1 1 A 39 39 ASP C C 39 178.788 177.211 1.577 1
1 480 . 2 1 1 A 40 40 ARG N N 40 117.971 116.527 1.444 1
1 481 . 2 1 1 A 40 40 ARG H H 40 8.601 8.151 0.450 1
1 482 . 2 1 1 A 40 40 ARG CA C 40 57.264 56.901 0.363 1
1 483 . 2 1 1 A 40 40 ARG HA H 40 4.174 4.543 -0.369 1
1 484 . 2 1 1 A 40 40 ARG CB C 40 29.007 32.538 -3.531 1
1 491 . 2 1 1 A 40 40 ARG C C 40 177.916 176.346 1.570 1
1 492 . 2 1 1 A 41 41 ASP N N 41 117.798 118.265 -0.467 1
1 493 . 2 1 1 A 41 41 ASP H H 41 8.138 8.232 -0.094 1
1 494 . 2 1 1 A 41 41 ASP CA C 41 53.578 55.865 -2.287 1
1 495 . 2 1 1 A 41 41 ASP HA H 41 4.723 4.982 -0.259 1
1 496 . 2 1 1 A 41 41 ASP CB C 41 39.947 43.285 -3.338 1
1 499 . 2 1 1 A 41 41 ASP C C 41 178.048 177.293 0.755 1
1 500 . 2 1 1 A 42 42 GLY N N 42 106.809 106.153 0.656 1
1 501 . 2 1 1 A 42 42 GLY H H 42 8.125 7.829 0.296 1
1 502 . 2 1 1 A 42 42 GLY CA C 42 46.017 45.268 0.749 1
1 503 . 2 1 1 A 42 42 GLY HA3 H 42 4.156 4.016 0.140 1
1 504 . 2 1 1 A 42 42 GLY HA2 H 42 3.647 4.014 -0.367 1
1 505 . 2 1 1 A 42 42 GLY C C 42 174.932 173.956 0.976 1
1 506 . 2 1 1 A 43 43 GLU N N 43 116.783 119.384 -2.601 1
1 507 . 2 1 1 A 43 43 GLU H H 43 7.909 7.735 0.174 1
1 508 . 2 1 1 A 43 43 GLU CA C 43 53.603 55.570 -1.967 1
1 509 . 2 1 1 A 43 43 GLU HA H 43 4.741 4.481 0.260 1
1 510 . 2 1 1 A 43 43 GLU CB C 43 29.813 30.463 -0.650 1
1 516 . 2 1 1 A 43 43 GLU C C 43 176.455 175.566 0.889 1
1 517 . 2 1 1 A 44 44 VAL N N 44 120.785 125.655 -4.870 1
1 518 . 2 1 1 A 44 44 VAL H H 44 8.635 8.558 0.077 1
1 519 . 2 1 1 A 44 44 VAL CA C 44 61.231 62.204 -0.973 1
1 520 . 2 1 1 A 44 44 VAL HA H 44 4.503 4.348 0.155 1
1 521 . 2 1 1 A 44 44 VAL CB C 44 32.334 32.398 -0.064 1
1 531 . 2 1 1 A 44 44 VAL C C 44 175.366 175.450 -0.084 1
1 532 . 2 1 1 A 45 45 ILE N N 45 126.640 128.555 -1.915 1
1 533 . 2 1 1 A 45 45 ILE H H 45 8.972 9.320 -0.348 1
1 534 . 2 1 1 A 45 45 ILE CA C 45 59.456 59.675 -0.219 1
1 535 . 2 1 1 A 45 45 ILE HA H 45 4.889 4.729 0.160 1
1 536 . 2 1 1 A 45 45 ILE CB C 45 38.628 38.708 -0.080 1
1 549 . 2 1 1 A 45 45 ILE C C 45 176.485 174.602 1.883 1
1 550 . 2 1 1 A 46 46 LEU N N 46 123.557 128.371 -4.814 1
1 551 . 2 1 1 A 46 46 LEU H H 46 9.340 9.054 0.286 1
1 552 . 2 1 1 A 46 46 LEU CA C 46 52.946 53.340 -0.394 1
1 553 . 2 1 1 A 46 46 LEU HA H 46 5.384 6.170 -0.786 1
1 554 . 2 1 1 A 46 46 LEU CB C 46 42.721 42.810 -0.089 1
1 564 . 2 1 1 A 46 46 LEU C C 46 177.393 176.027 1.366 1
1 565 . 2 1 1 A 47 47 LYS N N 47 119.462 124.418 -4.956 1
1 566 . 2 1 1 A 47 47 LYS H H 47 8.909 8.317 0.592 1
1 567 . 2 1 1 A 47 47 LYS CA C 47 53.220 54.451 -1.231 1
1 568 . 2 1 1 A 47 47 LYS HA H 47 4.959 4.969 -0.010 1
1 569 . 2 1 1 A 47 47 LYS CB C 47 35.877 35.872 0.005 1
1 578 . 2 1 1 A 48 48 LYS CA C 48 58.654 58.622 0.032 1
1 579 . 2 1 1 A 48 48 LYS HA H 48 4.251 4.718 -0.467 1
1 580 . 2 1 1 A 48 48 LYS CB C 48 31.479 32.035 -0.556 1
1 591 . 2 1 1 A 48 48 LYS C C 48 178.183 177.109 1.074 1
1 592 . 2 1 1 A 49 49 TYR N N 49 125.460 120.298 5.162 1
1 593 . 2 1 1 A 49 49 TYR H H 49 8.189 8.065 0.124 1
1 594 . 2 1 1 A 49 49 TYR CA C 49 57.281 59.659 -2.378 1
1 595 . 2 1 1 A 49 49 TYR HA H 49 4.762 4.578 0.184 1
1 596 . 2 1 1 A 49 49 TYR CB C 49 38.697 38.223 0.474 1
1 599 . 2 1 1 A 49 49 TYR C C 49 176.094 176.154 -0.060 1
1 600 . 2 1 1 A 50 50 SER N N 50 122.040 114.866 7.174 1
1 601 . 2 1 1 A 50 50 SER H H 50 8.045 8.878 -0.833 1
1 602 . 2 1 1 A 50 50 SER CA C 50 54.280 62.886 -8.606 1
1 603 . 2 1 1 A 50 50 SER HA H 50 4.635 3.848 0.787 1
1 604 . 2 1 1 A 50 50 SER CB C 50 62.402 62.046 0.356 1
1 607 . 2 1 1 A 51 51 PRO CA C 51 62.488 63.450 -0.962 1
1 608 . 2 1 1 A 51 51 PRO HA H 51 4.298 4.532 -0.234 1
1 609 . 2 1 1 A 51 51 PRO CB C 51 31.121 32.734 -1.613 1
1 616 . 2 1 1 A 51 51 PRO C C 51 178.546 177.433 1.113 1
1 617 . 2 1 1 A 52 52 ILE N N 52 118.973 117.889 1.084 1
1 618 . 2 1 1 A 52 52 ILE H H 52 7.963 8.560 -0.597 1
1 619 . 2 1 1 A 52 52 ILE CA C 52 60.234 63.435 -3.201 1
1 620 . 2 1 1 A 52 52 ILE HA H 52 4.198 3.899 0.299 1
1 621 . 2 1 1 A 52 52 ILE CB C 52 37.863 36.639 1.224 1
1 634 . 2 1 1 A 52 52 ILE C C 52 177.929 175.621 2.308 1
1 635 . 2 1 1 A 53 53 SER N N 53 118.194 121.710 -3.516 1
1 636 . 2 1 1 A 53 53 SER H H 53 8.203 8.567 -0.364 1
1 637 . 2 1 1 A 53 53 SER CA C 53 57.318 57.139 0.179 1
1 638 . 2 1 1 A 53 53 SER HA H 53 4.480 4.839 -0.359 1
1 639 . 2 1 1 A 53 53 SER CB C 53 63.124 63.106 0.018 1
1 641 . 2 1 1 A 53 53 SER C C 53 175.932 174.382 1.550 1
1 642 . 2 1 1 A 54 54 GLU N N 54 122.542 120.167 2.375 1
1 643 . 2 1 1 A 54 54 GLU H H 54 8.347 8.345 0.002 1
1 644 . 2 1 1 A 54 54 GLU CA C 54 55.560 57.448 -1.888 1
1 645 . 2 1 1 A 54 54 GLU HA H 54 4.387 4.073 0.314 1
1 646 . 2 1 1 A 54 54 GLU CB C 54 29.438 28.969 0.469 1
1 651 . 2 1 1 A 54 54 GLU C C 54 176.980 175.670 1.310 1
1 3 . 3 1 1 A 2 2 LYS CA C 2 55.606 58.257 -2.651 1
1 4 . 3 1 1 A 2 2 LYS HA H 2 4.540 4.070 0.470 1
1 5 . 3 1 1 A 2 2 LYS CB C 2 32.447 31.032 1.415 1
1 13 . 3 1 1 A 2 2 LYS C C 2 177.204 175.692 1.512 1
1 14 . 3 1 1 A 3 3 ALA N N 3 126.109 121.959 4.150 1
1 15 . 3 1 1 A 3 3 ALA H H 3 8.553 8.800 -0.247 1
1 16 . 3 1 1 A 3 3 ALA CA C 3 52.218 53.764 -1.546 1
1 17 . 3 1 1 A 3 3 ALA HA H 3 4.342 4.154 0.188 1
1 18 . 3 1 1 A 3 3 ALA CB C 3 19.245 18.296 0.949 1
1 22 . 3 1 1 A 3 3 ALA C C 3 179.308 177.443 1.865 1
1 23 . 3 1 1 A 4 4 THR N N 4 112.465 114.236 -1.771 1
1 24 . 3 1 1 A 4 4 THR H H 4 8.078 8.351 -0.273 1
1 25 . 3 1 1 A 4 4 THR CA C 4 61.583 62.355 -0.772 1
1 26 . 3 1 1 A 4 4 THR HA H 4 4.420 4.596 -0.176 1
1 27 . 3 1 1 A 4 4 THR CB C 4 69.460 70.473 -1.013 1
1 33 . 3 1 1 A 4 4 THR C C 4 173.474 176.073 -2.599 1
1 34 . 3 1 1 A 5 5 GLY N N 5 111.771 110.508 1.263 1
1 35 . 3 1 1 A 5 5 GLY H H 5 9.037 8.284 0.753 1
1 36 . 3 1 1 A 5 5 GLY CA C 5 44.687 46.648 -1.961 1
1 37 . 3 1 1 A 5 5 GLY HA3 H 5 4.058 3.961 0.097 1
1 38 . 3 1 1 A 5 5 GLY HA2 H 5 3.623 3.959 -0.336 1
1 39 . 3 1 1 A 5 5 GLY C C 5 174.756 174.556 0.200 1
1 40 . 3 1 1 A 6 6 ILE N N 6 121.234 121.150 0.084 1
1 41 . 3 1 1 A 6 6 ILE H H 6 8.287 7.742 0.545 1
1 42 . 3 1 1 A 6 6 ILE CA C 6 60.578 60.059 0.519 1
1 43 . 3 1 1 A 6 6 ILE HA H 6 4.132 4.563 -0.431 1
1 44 . 3 1 1 A 6 6 ILE CB C 6 38.785 39.684 -0.899 1
1 57 . 3 1 1 A 6 6 ILE C C 6 176.395 174.370 2.025 1
1 58 . 3 1 1 A 7 7 VAL N N 7 126.096 130.924 -4.828 1
1 59 . 3 1 1 A 7 7 VAL H H 7 8.237 8.761 -0.524 1
1 60 . 3 1 1 A 7 7 VAL CA C 7 60.516 62.576 -2.060 1
1 61 . 3 1 1 A 7 7 VAL HA H 7 5.002 4.199 0.803 1
1 62 . 3 1 1 A 7 7 VAL CB C 7 32.807 31.998 0.809 1
1 72 . 3 1 1 A 7 7 VAL C C 7 179.140 174.972 4.168 1
1 73 . 3 1 1 A 8 8 ARG N N 8 127.158 128.083 -0.925 1
1 74 . 3 1 1 A 8 8 ARG H H 8 9.070 8.942 0.128 1
1 75 . 3 1 1 A 8 8 ARG CA C 8 52.551 54.411 -1.860 1
1 76 . 3 1 1 A 8 8 ARG HA H 8 4.805 5.130 -0.325 1
1 77 . 3 1 1 A 8 8 ARG CB C 8 34.444 33.755 0.689 1
1 86 . 3 1 1 A 8 8 ARG C C 8 176.302 174.524 1.778 1
1 87 . 3 1 1 A 9 9 ARG N N 9 118.729 127.483 -8.754 1
1 88 . 3 1 1 A 9 9 ARG H H 9 8.630 8.710 -0.080 1
1 89 . 3 1 1 A 9 9 ARG CA C 9 54.299 55.856 -1.557 1
1 90 . 3 1 1 A 9 9 ARG HA H 9 5.115 4.481 0.634 1
1 91 . 3 1 1 A 9 9 ARG CB C 9 31.277 29.937 1.340 1
1 99 . 3 1 1 A 9 9 ARG C C 9 178.367 176.597 1.770 1
1 100 . 3 1 1 A 10 10 ILE N N 10 122.469 125.333 -2.864 1
1 101 . 3 1 1 A 10 10 ILE H H 10 7.962 8.357 -0.395 1
1 102 . 3 1 1 A 10 10 ILE CA C 10 58.715 64.410 -5.695 1
1 103 . 3 1 1 A 10 10 ILE HA H 10 4.541 4.107 0.434 1
1 104 . 3 1 1 A 10 10 ILE CB C 10 39.300 37.635 1.665 1
1 117 . 3 1 1 A 10 10 ILE C C 10 177.681 175.223 2.458 1
1 118 . 3 1 1 A 11 11 ASP N N 11 127.298 120.313 6.985 1
1 119 . 3 1 1 A 11 11 ASP H H 11 8.557 7.877 0.680 1
1 120 . 3 1 1 A 11 11 ASP CA C 11 52.440 53.255 -0.815 1
1 121 . 3 1 1 A 11 11 ASP HA H 11 4.889 4.770 0.119 1
1 122 . 3 1 1 A 11 11 ASP CB C 11 40.972 41.735 -0.763 1
1 125 . 3 1 1 A 11 11 ASP C C 11 178.929 175.321 3.608 1
1 126 . 3 1 1 A 12 12 ASP N N 12 113.147 117.898 -4.751 1
1 127 . 3 1 1 A 12 12 ASP H H 12 8.506 8.910 -0.404 1
1 128 . 3 1 1 A 12 12 ASP CA C 12 55.100 56.494 -1.394 1
1 129 . 3 1 1 A 12 12 ASP HA H 12 4.054 4.444 -0.390 1
1 130 . 3 1 1 A 12 12 ASP CB C 12 38.734 40.390 -1.656 1
1 133 . 3 1 1 A 12 12 ASP C C 12 178.444 177.599 0.845 1
1 134 . 3 1 1 A 13 13 LEU N N 13 120.798 118.967 1.831 1
1 135 . 3 1 1 A 13 13 LEU H H 13 8.268 8.327 -0.059 1
1 136 . 3 1 1 A 13 13 LEU CA C 13 53.160 56.586 -3.426 1
1 137 . 3 1 1 A 13 13 LEU HA H 13 4.510 4.371 0.139 1
1 138 . 3 1 1 A 13 13 LEU CB C 13 42.040 43.964 -1.924 1
1 151 . 3 1 1 A 13 13 LEU C C 13 178.487 176.790 1.697 1
1 152 . 3 1 1 A 14 14 GLY N N 14 106.617 107.598 -0.981 1
1 153 . 3 1 1 A 14 14 GLY H H 14 7.978 8.307 -0.329 1
1 154 . 3 1 1 A 14 14 GLY CA C 14 44.441 44.853 -0.412 1
1 155 . 3 1 1 A 14 14 GLY HA3 H 14 3.380 4.067 -0.687 1
1 156 . 3 1 1 A 14 14 GLY HA2 H 14 4.168 4.067 0.101 1
1 157 . 3 1 1 A 14 14 GLY C C 14 174.619 174.467 0.152 1
1 158 . 3 1 1 A 15 15 ARG N N 15 116.828 120.085 -3.257 1
1 159 . 3 1 1 A 15 15 ARG H H 15 8.530 8.113 0.417 1
1 160 . 3 1 1 A 15 15 ARG CA C 15 54.284 56.317 -2.033 1
1 161 . 3 1 1 A 15 15 ARG HA H 15 5.202 4.339 0.863 1
1 162 . 3 1 1 A 15 15 ARG CB C 15 31.579 31.522 0.057 1
1 171 . 3 1 1 A 15 15 ARG C C 15 178.314 175.001 3.313 1
1 172 . 3 1 1 A 16 16 VAL N N 16 119.216 121.339 -2.123 1
1 173 . 3 1 1 A 16 16 VAL H H 16 8.481 8.497 -0.016 1
1 174 . 3 1 1 A 16 16 VAL CA C 16 58.123 61.520 -3.397 1
1 175 . 3 1 1 A 16 16 VAL HA H 16 4.494 4.399 0.095 1
1 176 . 3 1 1 A 16 16 VAL CB C 16 36.071 32.013 4.058 1
1 186 . 3 1 1 A 16 16 VAL C C 16 174.742 175.433 -0.691 1
1 187 . 3 1 1 A 17 17 VAL N N 17 125.420 127.909 -2.489 1
1 188 . 3 1 1 A 17 17 VAL H H 17 7.990 8.666 -0.676 1
1 189 . 3 1 1 A 17 17 VAL CA C 17 61.551 63.108 -1.557 1
1 190 . 3 1 1 A 17 17 VAL HA H 17 3.882 4.062 -0.180 1
1 191 . 3 1 1 A 17 17 VAL CB C 17 32.136 31.230 0.906 1
1 201 . 3 1 1 A 17 17 VAL C C 17 176.487 175.607 0.880 1
1 202 . 3 1 1 A 18 18 ILE N N 18 125.876 129.325 -3.449 1
1 203 . 3 1 1 A 18 18 ILE H H 18 8.527 8.688 -0.161 1
1 204 . 3 1 1 A 18 18 ILE CA C 18 56.210 58.171 -1.961 1
1 205 . 3 1 1 A 18 18 ILE HA H 18 4.332 4.655 -0.323 1
1 206 . 3 1 1 A 18 18 ILE CB C 18 35.827 38.526 -2.699 1
1 219 . 3 1 1 A 18 18 ILE C C 18 176.060 174.357 1.703 1
1 220 . 3 1 1 A 19 19 PRO CA C 19 62.944 63.052 -0.108 1
1 221 . 3 1 1 A 19 19 PRO HA H 19 4.549 4.543 0.006 1
1 222 . 3 1 1 A 19 19 PRO CB C 19 32.802 32.699 0.103 1
1 231 . 3 1 1 A 19 19 PRO C C 19 178.970 177.425 1.545 1
1 232 . 3 1 1 A 20 20 LYS N N 20 126.618 121.713 4.905 1
1 233 . 3 1 1 A 20 20 LYS H H 20 9.014 8.488 0.526 1
1 234 . 3 1 1 A 20 20 LYS CA C 20 59.765 58.584 1.181 1
1 235 . 3 1 1 A 20 20 LYS HA H 20 3.756 3.984 -0.228 1
1 236 . 3 1 1 A 20 20 LYS CB C 20 31.684 31.959 -0.275 1
1 247 . 3 1 1 A 20 20 LYS C C 20 179.313 177.835 1.478 1
1 248 . 3 1 1 A 21 21 GLU N N 21 117.455 120.849 -3.394 1
1 249 . 3 1 1 A 21 21 GLU H H 21 9.856 8.911 0.945 1
1 250 . 3 1 1 A 21 21 GLU CA C 21 59.771 58.749 1.022 1
1 251 . 3 1 1 A 21 21 GLU HA H 21 4.110 4.111 -0.001 1
1 252 . 3 1 1 A 21 21 GLU CB C 21 28.626 28.029 0.597 1
1 257 . 3 1 1 A 21 21 GLU C C 21 180.774 178.516 2.258 1
1 258 . 3 1 1 A 22 22 ILE N N 22 118.288 120.742 -2.454 1
1 259 . 3 1 1 A 22 22 ILE H H 22 7.074 7.396 -0.322 1
1 260 . 3 1 1 A 22 22 ILE CA C 22 63.046 64.491 -1.445 1
1 261 . 3 1 1 A 22 22 ILE HA H 22 3.849 3.906 -0.057 1
1 262 . 3 1 1 A 22 22 ILE CB C 22 36.466 37.903 -1.437 1
1 275 . 3 1 1 A 22 22 ILE C C 22 179.924 177.783 2.141 1
1 276 . 3 1 1 A 23 23 ARG N N 23 117.382 121.412 -4.030 1
1 277 . 3 1 1 A 23 23 ARG H H 23 7.830 8.141 -0.311 1
1 278 . 3 1 1 A 23 23 ARG CA C 23 60.379 59.261 1.118 1
1 279 . 3 1 1 A 23 23 ARG HA H 23 3.764 3.939 -0.175 1
1 280 . 3 1 1 A 23 23 ARG CB C 23 28.923 29.691 -0.768 1
1 288 . 3 1 1 A 23 23 ARG C C 23 180.110 178.179 1.931 1
1 289 . 3 1 1 A 24 24 ARG N N 24 115.785 119.596 -3.811 1
1 290 . 3 1 1 A 24 24 ARG H H 24 8.431 8.270 0.161 1
1 291 . 3 1 1 A 24 24 ARG CA C 24 58.531 59.181 -0.650 1
1 292 . 3 1 1 A 24 24 ARG HA H 24 4.183 4.058 0.125 1
1 293 . 3 1 1 A 24 24 ARG CB C 24 29.763 29.624 0.139 1
1 301 . 3 1 1 A 24 24 ARG C C 24 181.515 179.206 2.309 1
1 302 . 3 1 1 A 25 25 THR N N 25 115.618 115.920 -0.302 1
1 303 . 3 1 1 A 25 25 THR H H 25 7.733 8.016 -0.283 1
1 304 . 3 1 1 A 25 25 THR CA C 25 65.778 66.694 -0.916 1
1 305 . 3 1 1 A 25 25 THR HA H 25 3.994 3.986 0.008 1
1 306 . 3 1 1 A 25 25 THR CB C 25 68.590 67.908 0.682 1
1 312 . 3 1 1 A 25 25 THR C C 25 177.350 177.059 0.291 1
1 313 . 3 1 1 A 26 26 LEU N N 26 117.244 120.529 -3.285 1
1 314 . 3 1 1 A 26 26 LEU H H 26 7.796 7.865 -0.069 1
1 315 . 3 1 1 A 26 26 LEU CA C 26 54.352 56.039 -1.687 1
1 316 . 3 1 1 A 26 26 LEU HA H 26 4.368 4.149 0.219 1
1 317 . 3 1 1 A 26 26 LEU CB C 26 42.330 42.105 0.225 1
1 329 . 3 1 1 A 26 26 LEU C C 26 177.163 176.387 0.776 1
1 330 . 3 1 1 A 27 27 ARG N N 27 116.574 116.478 0.096 1
1 331 . 3 1 1 A 27 27 ARG H H 27 7.720 7.904 -0.184 1
1 332 . 3 1 1 A 27 27 ARG CA C 27 56.737 57.417 -0.680 1
1 333 . 3 1 1 A 27 27 ARG HA H 27 3.872 3.901 -0.029 1
1 334 . 3 1 1 A 27 27 ARG CB C 27 25.656 27.094 -1.438 1
1 340 . 3 1 1 A 27 27 ARG C C 27 176.893 174.682 2.211 1
1 341 . 3 1 1 A 28 28 ILE N N 28 116.788 117.919 -1.131 1
1 342 . 3 1 1 A 28 28 ILE H H 28 8.332 7.712 0.620 1
1 343 . 3 1 1 A 28 28 ILE CA C 28 60.527 59.764 0.763 1
1 344 . 3 1 1 A 28 28 ILE HA H 28 4.465 4.785 -0.320 1
1 345 . 3 1 1 A 28 28 ILE CB C 28 39.882 41.020 -1.138 1
1 356 . 3 1 1 A 28 28 ILE C C 28 176.976 174.611 2.365 1
1 357 . 3 1 1 A 29 29 ARG N N 29 128.150 121.118 7.032 1
1 358 . 3 1 1 A 29 29 ARG H H 29 9.187 8.941 0.246 1
1 359 . 3 1 1 A 29 29 ARG CA C 29 53.925 54.820 -0.895 1
1 360 . 3 1 1 A 29 29 ARG HA H 29 4.472 4.766 -0.294 1
1 361 . 3 1 1 A 29 29 ARG CB C 29 31.701 31.047 0.654 1
1 369 . 3 1 1 A 29 29 ARG C C 29 176.397 175.776 0.621 1
1 370 . 3 1 1 A 30 30 GLU N N 30 119.127 116.655 2.472 1
1 371 . 3 1 1 A 30 30 GLU H H 30 8.813 8.421 0.392 1
1 372 . 3 1 1 A 30 30 GLU CA C 30 58.715 56.520 2.195 1
1 373 . 3 1 1 A 30 30 GLU HA H 30 3.642 4.434 -0.792 1
1 374 . 3 1 1 A 30 30 GLU CB C 30 27.910 28.521 -0.611 1
1 379 . 3 1 1 A 30 30 GLU C C 30 178.085 176.508 1.577 1
1 380 . 3 1 1 A 31 31 GLY N N 31 113.446 107.817 5.629 1
1 381 . 3 1 1 A 31 31 GLY H H 31 8.365 8.079 0.286 1
1 382 . 3 1 1 A 31 31 GLY CA C 31 44.684 45.731 -1.047 1
1 383 . 3 1 1 A 31 31 GLY HA3 H 31 4.401 4.120 0.281 1
1 384 . 3 1 1 A 31 31 GLY HA2 H 31 3.749 4.119 -0.370 1
1 385 . 3 1 1 A 31 31 GLY C C 31 175.765 173.524 2.241 1
1 386 . 3 1 1 A 32 32 ASP N N 32 121.874 122.335 -0.461 1
1 387 . 3 1 1 A 32 32 ASP H H 32 8.288 7.720 0.568 1
1 388 . 3 1 1 A 32 32 ASP CA C 32 52.900 51.590 1.310 1
1 389 . 3 1 1 A 32 32 ASP HA H 32 4.973 5.056 -0.083 1
1 390 . 3 1 1 A 32 32 ASP CB C 32 39.908 41.889 -1.981 1
1 393 . 3 1 1 A 32 32 ASP C C 32 176.423 174.831 1.592 1
1 394 . 3 1 1 A 33 33 PRO CA C 33 61.096 62.430 -1.334 1
1 395 . 3 1 1 A 33 33 PRO HA H 33 4.774 4.975 -0.201 1
1 396 . 3 1 1 A 33 33 PRO CB C 33 31.074 32.687 -1.613 1
1 405 . 3 1 1 A 33 33 PRO C C 33 177.497 175.901 1.596 1
1 406 . 3 1 1 A 34 34 LEU N N 34 123.101 122.128 0.973 1
1 407 . 3 1 1 A 34 34 LEU H H 34 9.067 8.643 0.424 1
1 408 . 3 1 1 A 34 34 LEU CA C 34 52.842 53.194 -0.352 1
1 409 . 3 1 1 A 34 34 LEU HA H 34 5.052 5.645 -0.593 1
1 410 . 3 1 1 A 34 34 LEU CB C 34 44.012 46.376 -2.364 1
1 419 . 3 1 1 A 34 34 LEU C C 34 176.051 174.911 1.140 1
1 420 . 3 1 1 A 35 35 GLU N N 35 122.921 123.327 -0.406 1
1 421 . 3 1 1 A 35 35 GLU H H 35 9.535 9.330 0.205 1
1 422 . 3 1 1 A 35 35 GLU CA C 35 54.656 54.909 -0.253 1
1 423 . 3 1 1 A 35 35 GLU HA H 35 4.218 4.949 -0.731 1
1 424 . 3 1 1 A 35 35 GLU CB C 35 32.760 31.877 0.883 1
1 430 . 3 1 1 A 35 35 GLU C C 35 177.010 175.191 1.819 1
1 431 . 3 1 1 A 36 36 ILE N N 36 122.970 129.209 -6.239 1
1 432 . 3 1 1 A 36 36 ILE H H 36 8.514 8.686 -0.172 1
1 433 . 3 1 1 A 36 36 ILE CA C 36 60.838 60.569 0.269 1
1 434 . 3 1 1 A 36 36 ILE HA H 36 4.184 4.543 -0.359 1
1 435 . 3 1 1 A 36 36 ILE CB C 36 38.529 36.802 1.727 1
1 448 . 3 1 1 A 36 36 ILE C C 36 177.618 175.226 2.392 1
1 449 . 3 1 1 A 37 37 PHE N N 37 125.834 123.589 2.245 1
1 450 . 3 1 1 A 37 37 PHE H H 37 9.392 9.137 0.255 1
1 451 . 3 1 1 A 37 37 PHE CA C 37 55.662 55.784 -0.122 1
1 452 . 3 1 1 A 37 37 PHE HA H 37 5.087 5.289 -0.202 1
1 453 . 3 1 1 A 37 37 PHE CB C 37 42.260 41.889 0.371 1
1 456 . 3 1 1 A 37 37 PHE C C 37 175.006 172.619 2.387 1
1 457 . 3 1 1 A 38 38 VAL N N 38 116.642 124.513 -7.871 1
1 458 . 3 1 1 A 38 38 VAL H H 38 8.519 8.924 -0.405 1
1 459 . 3 1 1 A 38 38 VAL CA C 38 60.289 61.583 -1.294 1
1 460 . 3 1 1 A 38 38 VAL HA H 38 5.154 4.322 0.832 1
1 461 . 3 1 1 A 38 38 VAL CB C 38 34.258 32.513 1.745 1
1 471 . 3 1 1 A 38 38 VAL C C 38 177.654 175.228 2.426 1
1 472 . 3 1 1 A 39 39 ASP N N 39 124.423 128.287 -3.864 1
1 473 . 3 1 1 A 39 39 ASP H H 39 8.720 9.081 -0.361 1
1 474 . 3 1 1 A 39 39 ASP CA C 39 51.372 56.337 -4.965 1
1 475 . 3 1 1 A 39 39 ASP HA H 39 5.014 4.634 0.380 1
1 476 . 3 1 1 A 39 39 ASP CB C 39 42.446 41.420 1.026 1
1 479 . 3 1 1 A 39 39 ASP C C 39 178.788 177.520 1.268 1
1 480 . 3 1 1 A 40 40 ARG N N 40 117.971 118.567 -0.596 1
1 481 . 3 1 1 A 40 40 ARG H H 40 8.601 7.974 0.627 1
1 482 . 3 1 1 A 40 40 ARG CA C 40 57.264 57.142 0.122 1
1 483 . 3 1 1 A 40 40 ARG HA H 40 4.174 4.358 -0.184 1
1 484 . 3 1 1 A 40 40 ARG CB C 40 29.007 30.861 -1.854 1
1 491 . 3 1 1 A 40 40 ARG C C 40 177.916 177.003 0.913 1
1 492 . 3 1 1 A 41 41 ASP N N 41 117.798 119.319 -1.521 1
1 493 . 3 1 1 A 41 41 ASP H H 41 8.138 8.300 -0.162 1
1 494 . 3 1 1 A 41 41 ASP CA C 41 53.578 55.899 -2.321 1
1 495 . 3 1 1 A 41 41 ASP HA H 41 4.723 4.849 -0.126 1
1 496 . 3 1 1 A 41 41 ASP CB C 41 39.947 42.834 -2.887 1
1 499 . 3 1 1 A 41 41 ASP C C 41 178.048 177.275 0.773 1
1 500 . 3 1 1 A 42 42 GLY N N 42 106.809 106.303 0.506 1
1 501 . 3 1 1 A 42 42 GLY H H 42 8.125 7.905 0.220 1
1 502 . 3 1 1 A 42 42 GLY CA C 42 46.017 45.495 0.522 1
1 503 . 3 1 1 A 42 42 GLY HA3 H 42 4.156 4.037 0.119 1
1 504 . 3 1 1 A 42 42 GLY HA2 H 42 3.647 4.034 -0.387 1
1 505 . 3 1 1 A 42 42 GLY C C 42 174.932 173.407 1.525 1
1 506 . 3 1 1 A 43 43 GLU N N 43 116.783 119.730 -2.947 1
1 507 . 3 1 1 A 43 43 GLU H H 43 7.909 7.588 0.321 1
1 508 . 3 1 1 A 43 43 GLU CA C 43 53.603 55.524 -1.921 1
1 509 . 3 1 1 A 43 43 GLU HA H 43 4.741 4.474 0.267 1
1 510 . 3 1 1 A 43 43 GLU CB C 43 29.813 30.226 -0.413 1
1 516 . 3 1 1 A 43 43 GLU C C 43 176.455 175.290 1.165 1
1 517 . 3 1 1 A 44 44 VAL N N 44 120.785 125.880 -5.095 1
1 518 . 3 1 1 A 44 44 VAL H H 44 8.635 8.506 0.129 1
1 519 . 3 1 1 A 44 44 VAL CA C 44 61.231 62.130 -0.899 1
1 520 . 3 1 1 A 44 44 VAL HA H 44 4.503 4.381 0.122 1
1 521 . 3 1 1 A 44 44 VAL CB C 44 32.334 32.420 -0.086 1
1 531 . 3 1 1 A 44 44 VAL C C 44 175.366 175.454 -0.088 1
1 532 . 3 1 1 A 45 45 ILE N N 45 126.640 128.253 -1.613 1
1 533 . 3 1 1 A 45 45 ILE H H 45 8.972 9.298 -0.326 1
1 534 . 3 1 1 A 45 45 ILE CA C 45 59.456 59.404 0.052 1
1 535 . 3 1 1 A 45 45 ILE HA H 45 4.889 4.735 0.154 1
1 536 . 3 1 1 A 45 45 ILE CB C 45 38.628 38.911 -0.283 1
1 549 . 3 1 1 A 45 45 ILE C C 45 176.485 174.583 1.902 1
1 550 . 3 1 1 A 46 46 LEU N N 46 123.557 128.278 -4.721 1
1 551 . 3 1 1 A 46 46 LEU H H 46 9.340 9.067 0.273 1
1 552 . 3 1 1 A 46 46 LEU CA C 46 52.946 53.306 -0.360 1
1 553 . 3 1 1 A 46 46 LEU HA H 46 5.384 6.090 -0.706 1
1 554 . 3 1 1 A 46 46 LEU CB C 46 42.721 42.817 -0.096 1
1 564 . 3 1 1 A 46 46 LEU C C 46 177.393 175.906 1.487 1
1 565 . 3 1 1 A 47 47 LYS N N 47 119.462 124.291 -4.829 1
1 566 . 3 1 1 A 47 47 LYS H H 47 8.909 8.397 0.512 1
1 567 . 3 1 1 A 47 47 LYS CA C 47 53.220 54.311 -1.091 1
1 568 . 3 1 1 A 47 47 LYS HA H 47 4.959 4.903 0.056 1
1 569 . 3 1 1 A 47 47 LYS CB C 47 35.877 35.843 0.034 1
1 578 . 3 1 1 A 48 48 LYS CA C 48 58.654 58.656 -0.002 1
1 579 . 3 1 1 A 48 48 LYS HA H 48 4.251 4.715 -0.464 1
1 580 . 3 1 1 A 48 48 LYS CB C 48 31.479 32.008 -0.529 1
1 591 . 3 1 1 A 48 48 LYS C C 48 178.183 177.107 1.076 1
1 592 . 3 1 1 A 49 49 TYR N N 49 125.460 120.299 5.161 1
1 593 . 3 1 1 A 49 49 TYR H H 49 8.189 8.061 0.128 1
1 594 . 3 1 1 A 49 49 TYR CA C 49 57.281 59.566 -2.285 1
1 595 . 3 1 1 A 49 49 TYR HA H 49 4.762 4.584 0.178 1
1 596 . 3 1 1 A 49 49 TYR CB C 49 38.697 38.175 0.522 1
1 599 . 3 1 1 A 49 49 TYR C C 49 176.094 176.300 -0.206 1
1 600 . 3 1 1 A 50 50 SER N N 50 122.040 114.788 7.252 1
1 601 . 3 1 1 A 50 50 SER H H 50 8.045 8.940 -0.895 1
1 602 . 3 1 1 A 50 50 SER CA C 50 54.280 62.754 -8.474 1
1 603 . 3 1 1 A 50 50 SER HA H 50 4.635 3.732 0.903 1
1 604 . 3 1 1 A 50 50 SER CB C 50 62.402 62.160 0.242 1
1 607 . 3 1 1 A 51 51 PRO CA C 51 62.488 63.560 -1.072 1
1 608 . 3 1 1 A 51 51 PRO HA H 51 4.298 4.467 -0.169 1
1 609 . 3 1 1 A 51 51 PRO CB C 51 31.121 32.868 -1.747 1
1 616 . 3 1 1 A 51 51 PRO C C 51 178.546 177.316 1.230 1
1 617 . 3 1 1 A 52 52 ILE N N 52 118.973 117.867 1.106 1
1 618 . 3 1 1 A 52 52 ILE H H 52 7.963 8.578 -0.615 1
1 619 . 3 1 1 A 52 52 ILE CA C 52 60.234 63.441 -3.207 1
1 620 . 3 1 1 A 52 52 ILE HA H 52 4.198 3.892 0.306 1
1 621 . 3 1 1 A 52 52 ILE CB C 52 37.863 36.671 1.192 1
1 634 . 3 1 1 A 52 52 ILE C C 52 177.929 176.139 1.790 1
1 635 . 3 1 1 A 53 53 SER N N 53 118.194 122.616 -4.422 1
1 636 . 3 1 1 A 53 53 SER H H 53 8.203 8.497 -0.294 1
1 637 . 3 1 1 A 53 53 SER CA C 53 57.318 58.307 -0.989 1
1 638 . 3 1 1 A 53 53 SER HA H 53 4.480 4.649 -0.169 1
1 639 . 3 1 1 A 53 53 SER CB C 53 63.124 63.807 -0.683 1
1 641 . 3 1 1 A 53 53 SER C C 53 175.932 174.021 1.911 1
1 642 . 3 1 1 A 54 54 GLU N N 54 122.542 119.889 2.653 1
1 643 . 3 1 1 A 54 54 GLU H H 54 8.347 7.236 1.111 1
1 644 . 3 1 1 A 54 54 GLU CA C 54 55.560 56.265 -0.705 1
1 645 . 3 1 1 A 54 54 GLU HA H 54 4.387 4.592 -0.205 1
1 646 . 3 1 1 A 54 54 GLU CB C 54 29.438 32.300 -2.862 1
1 651 . 3 1 1 A 54 54 GLU C C 54 176.980 174.028 2.952 1
1 3 . 4 1 1 A 2 2 LYS CA C 2 55.606 55.480 0.126 1
1 4 . 4 1 1 A 2 2 LYS HA H 2 4.540 4.439 0.101 1
1 5 . 4 1 1 A 2 2 LYS CB C 2 32.447 33.081 -0.634 1
1 13 . 4 1 1 A 2 2 LYS C C 2 177.204 175.954 1.250 1
1 14 . 4 1 1 A 3 3 ALA N N 3 126.109 119.774 6.335 1
1 15 . 4 1 1 A 3 3 ALA H H 3 8.553 8.668 -0.115 1
1 16 . 4 1 1 A 3 3 ALA CA C 3 52.218 52.858 -0.640 1
1 17 . 4 1 1 A 3 3 ALA HA H 3 4.342 3.919 0.423 1
1 18 . 4 1 1 A 3 3 ALA CB C 3 19.245 17.318 1.927 1
1 22 . 4 1 1 A 3 3 ALA C C 3 179.308 178.189 1.119 1
1 23 . 4 1 1 A 4 4 THR N N 4 112.465 110.073 2.392 1
1 24 . 4 1 1 A 4 4 THR H H 4 8.078 8.166 -0.088 1
1 25 . 4 1 1 A 4 4 THR CA C 4 61.583 62.959 -1.376 1
1 26 . 4 1 1 A 4 4 THR HA H 4 4.420 4.364 0.056 1
1 27 . 4 1 1 A 4 4 THR CB C 4 69.460 70.352 -0.892 1
1 33 . 4 1 1 A 4 4 THR C C 4 173.474 175.683 -2.209 1
1 34 . 4 1 1 A 5 5 GLY N N 5 111.771 111.776 -0.005 1
1 35 . 4 1 1 A 5 5 GLY H H 5 9.037 8.138 0.899 1
1 36 . 4 1 1 A 5 5 GLY CA C 5 44.687 46.878 -2.191 1
1 37 . 4 1 1 A 5 5 GLY HA3 H 5 4.058 3.914 0.144 1
1 38 . 4 1 1 A 5 5 GLY HA2 H 5 3.623 3.912 -0.289 1
1 39 . 4 1 1 A 5 5 GLY C C 5 174.756 174.518 0.238 1
1 40 . 4 1 1 A 6 6 ILE N N 6 121.234 120.936 0.298 1
1 41 . 4 1 1 A 6 6 ILE H H 6 8.287 7.762 0.525 1
1 42 . 4 1 1 A 6 6 ILE CA C 6 60.578 60.219 0.359 1
1 43 . 4 1 1 A 6 6 ILE HA H 6 4.132 4.505 -0.373 1
1 44 . 4 1 1 A 6 6 ILE CB C 6 38.785 39.550 -0.765 1
1 57 . 4 1 1 A 6 6 ILE C C 6 176.395 174.574 1.821 1
1 58 . 4 1 1 A 7 7 VAL N N 7 126.096 130.577 -4.481 1
1 59 . 4 1 1 A 7 7 VAL H H 7 8.237 8.769 -0.532 1
1 60 . 4 1 1 A 7 7 VAL CA C 7 60.516 62.977 -2.461 1
1 61 . 4 1 1 A 7 7 VAL HA H 7 5.002 4.202 0.800 1
1 62 . 4 1 1 A 7 7 VAL CB C 7 32.807 32.078 0.729 1
1 72 . 4 1 1 A 7 7 VAL C C 7 179.140 175.046 4.094 1
1 73 . 4 1 1 A 8 8 ARG N N 8 127.158 128.314 -1.156 1
1 74 . 4 1 1 A 8 8 ARG H H 8 9.070 8.896 0.174 1
1 75 . 4 1 1 A 8 8 ARG CA C 8 52.551 54.451 -1.900 1
1 76 . 4 1 1 A 8 8 ARG HA H 8 4.805 5.074 -0.269 1
1 77 . 4 1 1 A 8 8 ARG CB C 8 34.444 33.469 0.975 1
1 86 . 4 1 1 A 8 8 ARG C C 8 176.302 174.590 1.712 1
1 87 . 4 1 1 A 9 9 ARG N N 9 118.729 127.953 -9.224 1
1 88 . 4 1 1 A 9 9 ARG H H 9 8.630 8.677 -0.047 1
1 89 . 4 1 1 A 9 9 ARG CA C 9 54.299 55.929 -1.630 1
1 90 . 4 1 1 A 9 9 ARG HA H 9 5.115 4.492 0.623 1
1 91 . 4 1 1 A 9 9 ARG CB C 9 31.277 29.810 1.467 1
1 99 . 4 1 1 A 9 9 ARG C C 9 178.367 176.499 1.868 1
1 100 . 4 1 1 A 10 10 ILE N N 10 122.469 125.786 -3.317 1
1 101 . 4 1 1 A 10 10 ILE H H 10 7.962 8.352 -0.390 1
1 102 . 4 1 1 A 10 10 ILE CA C 10 58.715 64.154 -5.439 1
1 103 . 4 1 1 A 10 10 ILE HA H 10 4.541 4.136 0.405 1
1 104 . 4 1 1 A 10 10 ILE CB C 10 39.300 37.498 1.802 1
1 117 . 4 1 1 A 10 10 ILE C C 10 177.681 175.225 2.456 1
1 118 . 4 1 1 A 11 11 ASP N N 11 127.298 119.476 7.822 1
1 119 . 4 1 1 A 11 11 ASP H H 11 8.557 7.875 0.682 1
1 120 . 4 1 1 A 11 11 ASP CA C 11 52.440 53.266 -0.826 1
1 121 . 4 1 1 A 11 11 ASP HA H 11 4.889 4.749 0.140 1
1 122 . 4 1 1 A 11 11 ASP CB C 11 40.972 41.636 -0.664 1
1 125 . 4 1 1 A 11 11 ASP C C 11 178.929 175.705 3.224 1
1 126 . 4 1 1 A 12 12 ASP N N 12 113.147 118.688 -5.541 1
1 127 . 4 1 1 A 12 12 ASP H H 12 8.506 8.858 -0.352 1
1 128 . 4 1 1 A 12 12 ASP CA C 12 55.100 56.345 -1.245 1
1 129 . 4 1 1 A 12 12 ASP HA H 12 4.054 4.364 -0.310 1
1 130 . 4 1 1 A 12 12 ASP CB C 12 38.734 40.805 -2.071 1
1 133 . 4 1 1 A 12 12 ASP C C 12 178.444 177.248 1.196 1
1 134 . 4 1 1 A 13 13 LEU N N 13 120.798 119.563 1.235 1
1 135 . 4 1 1 A 13 13 LEU H H 13 8.268 8.293 -0.025 1
1 136 . 4 1 1 A 13 13 LEU CA C 13 53.160 56.450 -3.290 1
1 137 . 4 1 1 A 13 13 LEU HA H 13 4.510 4.264 0.246 1
1 138 . 4 1 1 A 13 13 LEU CB C 13 42.040 43.540 -1.500 1
1 151 . 4 1 1 A 13 13 LEU C C 13 178.487 176.783 1.704 1
1 152 . 4 1 1 A 14 14 GLY N N 14 106.617 107.448 -0.831 1
1 153 . 4 1 1 A 14 14 GLY H H 14 7.978 8.235 -0.257 1
1 154 . 4 1 1 A 14 14 GLY CA C 14 44.441 44.852 -0.411 1
1 155 . 4 1 1 A 14 14 GLY HA3 H 14 3.380 4.065 -0.685 1
1 156 . 4 1 1 A 14 14 GLY HA2 H 14 4.168 4.065 0.103 1
1 157 . 4 1 1 A 14 14 GLY C C 14 174.619 174.477 0.142 1
1 158 . 4 1 1 A 15 15 ARG N N 15 116.828 120.097 -3.269 1
1 159 . 4 1 1 A 15 15 ARG H H 15 8.530 7.900 0.630 1
1 160 . 4 1 1 A 15 15 ARG CA C 15 54.284 56.573 -2.289 1
1 161 . 4 1 1 A 15 15 ARG HA H 15 5.202 4.323 0.879 1
1 162 . 4 1 1 A 15 15 ARG CB C 15 31.579 31.527 0.052 1
1 171 . 4 1 1 A 15 15 ARG C C 15 178.314 175.124 3.190 1
1 172 . 4 1 1 A 16 16 VAL N N 16 119.216 121.588 -2.372 1
1 173 . 4 1 1 A 16 16 VAL H H 16 8.481 8.514 -0.033 1
1 174 . 4 1 1 A 16 16 VAL CA C 16 58.123 61.476 -3.353 1
1 175 . 4 1 1 A 16 16 VAL HA H 16 4.494 4.403 0.091 1
1 176 . 4 1 1 A 16 16 VAL CB C 16 36.071 31.790 4.281 1
1 186 . 4 1 1 A 16 16 VAL C C 16 174.742 175.311 -0.569 1
1 187 . 4 1 1 A 17 17 VAL N N 17 125.420 127.885 -2.465 1
1 188 . 4 1 1 A 17 17 VAL H H 17 7.990 8.628 -0.638 1
1 189 . 4 1 1 A 17 17 VAL CA C 17 61.551 63.172 -1.621 1
1 190 . 4 1 1 A 17 17 VAL HA H 17 3.882 4.079 -0.197 1
1 191 . 4 1 1 A 17 17 VAL CB C 17 32.136 31.205 0.931 1
1 201 . 4 1 1 A 17 17 VAL C C 17 176.487 175.609 0.878 1
1 202 . 4 1 1 A 18 18 ILE N N 18 125.876 129.019 -3.143 1
1 203 . 4 1 1 A 18 18 ILE H H 18 8.527 8.674 -0.147 1
1 204 . 4 1 1 A 18 18 ILE CA C 18 56.210 58.345 -2.135 1
1 205 . 4 1 1 A 18 18 ILE HA H 18 4.332 4.600 -0.268 1
1 206 . 4 1 1 A 18 18 ILE CB C 18 35.827 38.365 -2.538 1
1 219 . 4 1 1 A 18 18 ILE C C 18 176.060 174.547 1.513 1
1 220 . 4 1 1 A 19 19 PRO CA C 19 62.944 63.050 -0.106 1
1 221 . 4 1 1 A 19 19 PRO HA H 19 4.549 4.528 0.021 1
1 222 . 4 1 1 A 19 19 PRO CB C 19 32.802 32.931 -0.129 1
1 231 . 4 1 1 A 19 19 PRO C C 19 178.970 177.495 1.475 1
1 232 . 4 1 1 A 20 20 LYS N N 20 126.618 121.858 4.760 1
1 233 . 4 1 1 A 20 20 LYS H H 20 9.014 8.494 0.520 1
1 234 . 4 1 1 A 20 20 LYS CA C 20 59.765 58.618 1.147 1
1 235 . 4 1 1 A 20 20 LYS HA H 20 3.756 4.000 -0.244 1
1 236 . 4 1 1 A 20 20 LYS CB C 20 31.684 31.981 -0.297 1
1 247 . 4 1 1 A 20 20 LYS C C 20 179.313 177.856 1.457 1
1 248 . 4 1 1 A 21 21 GLU N N 21 117.455 120.694 -3.239 1
1 249 . 4 1 1 A 21 21 GLU H H 21 9.856 9.004 0.852 1
1 250 . 4 1 1 A 21 21 GLU CA C 21 59.771 58.805 0.966 1
1 251 . 4 1 1 A 21 21 GLU HA H 21 4.110 4.113 -0.003 1
1 252 . 4 1 1 A 21 21 GLU CB C 21 28.626 27.905 0.721 1
1 257 . 4 1 1 A 21 21 GLU C C 21 180.774 178.570 2.204 1
1 258 . 4 1 1 A 22 22 ILE N N 22 118.288 120.546 -2.258 1
1 259 . 4 1 1 A 22 22 ILE H H 22 7.074 7.440 -0.366 1
1 260 . 4 1 1 A 22 22 ILE CA C 22 63.046 64.436 -1.390 1
1 261 . 4 1 1 A 22 22 ILE HA H 22 3.849 3.938 -0.089 1
1 262 . 4 1 1 A 22 22 ILE CB C 22 36.466 37.922 -1.456 1
1 275 . 4 1 1 A 22 22 ILE C C 22 179.924 177.744 2.180 1
1 276 . 4 1 1 A 23 23 ARG N N 23 117.382 121.308 -3.926 1
1 277 . 4 1 1 A 23 23 ARG H H 23 7.830 8.173 -0.343 1
1 278 . 4 1 1 A 23 23 ARG CA C 23 60.379 59.263 1.116 1
1 279 . 4 1 1 A 23 23 ARG HA H 23 3.764 3.900 -0.136 1
1 280 . 4 1 1 A 23 23 ARG CB C 23 28.923 29.877 -0.954 1
1 288 . 4 1 1 A 23 23 ARG C C 23 180.110 178.307 1.803 1
1 289 . 4 1 1 A 24 24 ARG N N 24 115.785 119.772 -3.987 1
1 290 . 4 1 1 A 24 24 ARG H H 24 8.431 8.281 0.150 1
1 291 . 4 1 1 A 24 24 ARG CA C 24 58.531 59.097 -0.566 1
1 292 . 4 1 1 A 24 24 ARG HA H 24 4.183 4.056 0.127 1
1 293 . 4 1 1 A 24 24 ARG CB C 24 29.763 29.737 0.026 1
1 301 . 4 1 1 A 24 24 ARG C C 24 181.515 179.007 2.508 1
1 302 . 4 1 1 A 25 25 THR N N 25 115.618 115.464 0.154 1
1 303 . 4 1 1 A 25 25 THR H H 25 7.733 7.895 -0.162 1
1 304 . 4 1 1 A 25 25 THR CA C 25 65.778 65.966 -0.188 1
1 305 . 4 1 1 A 25 25 THR HA H 25 3.994 4.090 -0.096 1
1 306 . 4 1 1 A 25 25 THR CB C 25 68.590 68.389 0.201 1
1 312 . 4 1 1 A 25 25 THR C C 25 177.350 176.789 0.561 1
1 313 . 4 1 1 A 26 26 LEU N N 26 117.244 120.275 -3.031 1
1 314 . 4 1 1 A 26 26 LEU H H 26 7.796 7.809 -0.013 1
1 315 . 4 1 1 A 26 26 LEU CA C 26 54.352 55.664 -1.312 1
1 316 . 4 1 1 A 26 26 LEU HA H 26 4.368 4.193 0.175 1
1 317 . 4 1 1 A 26 26 LEU CB C 26 42.330 41.923 0.407 1
1 329 . 4 1 1 A 26 26 LEU C C 26 177.163 176.389 0.774 1
1 330 . 4 1 1 A 27 27 ARG N N 27 116.574 116.536 0.038 1
1 331 . 4 1 1 A 27 27 ARG H H 27 7.720 7.656 0.064 1
1 332 . 4 1 1 A 27 27 ARG CA C 27 56.737 57.386 -0.649 1
1 333 . 4 1 1 A 27 27 ARG HA H 27 3.872 3.880 -0.008 1
1 334 . 4 1 1 A 27 27 ARG CB C 27 25.656 27.021 -1.365 1
1 340 . 4 1 1 A 27 27 ARG C C 27 176.893 174.724 2.169 1
1 341 . 4 1 1 A 28 28 ILE N N 28 116.788 118.220 -1.432 1
1 342 . 4 1 1 A 28 28 ILE H H 28 8.332 7.540 0.792 1
1 343 . 4 1 1 A 28 28 ILE CA C 28 60.527 59.767 0.760 1
1 344 . 4 1 1 A 28 28 ILE HA H 28 4.465 4.814 -0.349 1
1 345 . 4 1 1 A 28 28 ILE CB C 28 39.882 41.195 -1.313 1
1 356 . 4 1 1 A 28 28 ILE C C 28 176.976 174.625 2.351 1
1 357 . 4 1 1 A 29 29 ARG N N 29 128.150 120.974 7.176 1
1 358 . 4 1 1 A 29 29 ARG H H 29 9.187 8.986 0.201 1
1 359 . 4 1 1 A 29 29 ARG CA C 29 53.925 54.820 -0.895 1
1 360 . 4 1 1 A 29 29 ARG HA H 29 4.472 4.793 -0.321 1
1 361 . 4 1 1 A 29 29 ARG CB C 29 31.701 30.524 1.177 1
1 369 . 4 1 1 A 29 29 ARG C C 29 176.397 175.645 0.752 1
1 370 . 4 1 1 A 30 30 GLU N N 30 119.127 116.628 2.499 1
1 371 . 4 1 1 A 30 30 GLU H H 30 8.813 8.419 0.394 1
1 372 . 4 1 1 A 30 30 GLU CA C 30 58.715 56.567 2.148 1
1 373 . 4 1 1 A 30 30 GLU HA H 30 3.642 4.450 -0.808 1
1 374 . 4 1 1 A 30 30 GLU CB C 30 27.910 29.052 -1.142 1
1 379 . 4 1 1 A 30 30 GLU C C 30 178.085 176.622 1.463 1
1 380 . 4 1 1 A 31 31 GLY N N 31 113.446 107.853 5.593 1
1 381 . 4 1 1 A 31 31 GLY H H 31 8.365 8.192 0.173 1
1 382 . 4 1 1 A 31 31 GLY CA C 31 44.684 45.722 -1.038 1
1 383 . 4 1 1 A 31 31 GLY HA3 H 31 4.401 4.116 0.285 1
1 384 . 4 1 1 A 31 31 GLY HA2 H 31 3.749 4.116 -0.367 1
1 385 . 4 1 1 A 31 31 GLY C C 31 175.765 173.528 2.237 1
1 386 . 4 1 1 A 32 32 ASP N N 32 121.874 122.150 -0.276 1
1 387 . 4 1 1 A 32 32 ASP H H 32 8.288 7.583 0.705 1
1 388 . 4 1 1 A 32 32 ASP CA C 32 52.900 51.477 1.423 1
1 389 . 4 1 1 A 32 32 ASP HA H 32 4.973 4.922 0.051 1
1 390 . 4 1 1 A 32 32 ASP CB C 32 39.908 41.770 -1.862 1
1 393 . 4 1 1 A 32 32 ASP C C 32 176.423 175.512 0.911 1
1 394 . 4 1 1 A 33 33 PRO CA C 33 61.096 62.758 -1.662 1
1 395 . 4 1 1 A 33 33 PRO HA H 33 4.774 4.700 0.074 1
1 396 . 4 1 1 A 33 33 PRO CB C 33 31.074 29.756 1.318 1
1 405 . 4 1 1 A 33 33 PRO C C 33 177.497 176.413 1.084 1
1 406 . 4 1 1 A 34 34 LEU N N 34 123.101 122.874 0.227 1
1 407 . 4 1 1 A 34 34 LEU H H 34 9.067 7.102 1.965 1
1 408 . 4 1 1 A 34 34 LEU CA C 34 52.842 55.406 -2.564 1
1 409 . 4 1 1 A 34 34 LEU HA H 34 5.052 5.091 -0.039 1
1 410 . 4 1 1 A 34 34 LEU CB C 34 44.012 42.856 1.156 1
1 419 . 4 1 1 A 34 34 LEU C C 34 176.051 176.677 -0.626 1
1 420 . 4 1 1 A 35 35 GLU N N 35 122.921 122.740 0.181 1
1 421 . 4 1 1 A 35 35 GLU H H 35 9.535 8.793 0.742 1
1 422 . 4 1 1 A 35 35 GLU CA C 35 54.656 54.967 -0.311 1
1 423 . 4 1 1 A 35 35 GLU HA H 35 4.218 4.887 -0.669 1
1 424 . 4 1 1 A 35 35 GLU CB C 35 32.760 31.689 1.071 1
1 430 . 4 1 1 A 35 35 GLU C C 35 177.010 175.244 1.766 1
1 431 . 4 1 1 A 36 36 ILE N N 36 122.970 129.169 -6.199 1
1 432 . 4 1 1 A 36 36 ILE H H 36 8.514 8.721 -0.207 1
1 433 . 4 1 1 A 36 36 ILE CA C 36 60.838 60.152 0.686 1
1 434 . 4 1 1 A 36 36 ILE HA H 36 4.184 4.608 -0.424 1
1 435 . 4 1 1 A 36 36 ILE CB C 36 38.529 36.764 1.765 1
1 448 . 4 1 1 A 36 36 ILE C C 36 177.618 175.192 2.426 1
1 449 . 4 1 1 A 37 37 PHE N N 37 125.834 123.576 2.258 1
1 450 . 4 1 1 A 37 37 PHE H H 37 9.392 9.050 0.342 1
1 451 . 4 1 1 A 37 37 PHE CA C 37 55.662 55.919 -0.257 1
1 452 . 4 1 1 A 37 37 PHE HA H 37 5.087 5.293 -0.206 1
1 453 . 4 1 1 A 37 37 PHE CB C 37 42.260 41.809 0.451 1
1 456 . 4 1 1 A 37 37 PHE C C 37 175.006 172.727 2.279 1
1 457 . 4 1 1 A 38 38 VAL N N 38 116.642 124.388 -7.746 1
1 458 . 4 1 1 A 38 38 VAL H H 38 8.519 8.932 -0.413 1
1 459 . 4 1 1 A 38 38 VAL CA C 38 60.289 61.442 -1.153 1
1 460 . 4 1 1 A 38 38 VAL HA H 38 5.154 4.443 0.711 1
1 461 . 4 1 1 A 38 38 VAL CB C 38 34.258 32.549 1.709 1
1 471 . 4 1 1 A 38 38 VAL C C 38 177.654 175.360 2.294 1
1 472 . 4 1 1 A 39 39 ASP N N 39 124.423 127.971 -3.548 1
1 473 . 4 1 1 A 39 39 ASP H H 39 8.720 9.054 -0.334 1
1 474 . 4 1 1 A 39 39 ASP CA C 39 51.372 56.406 -5.034 1
1 475 . 4 1 1 A 39 39 ASP HA H 39 5.014 4.635 0.379 1
1 476 . 4 1 1 A 39 39 ASP CB C 39 42.446 41.480 0.966 1
1 479 . 4 1 1 A 39 39 ASP C C 39 178.788 177.504 1.284 1
1 480 . 4 1 1 A 40 40 ARG N N 40 117.971 117.410 0.561 1
1 481 . 4 1 1 A 40 40 ARG H H 40 8.601 8.105 0.496 1
1 482 . 4 1 1 A 40 40 ARG CA C 40 57.264 56.472 0.792 1
1 483 . 4 1 1 A 40 40 ARG HA H 40 4.174 4.556 -0.382 1
1 484 . 4 1 1 A 40 40 ARG CB C 40 29.007 31.100 -2.093 1
1 491 . 4 1 1 A 40 40 ARG C C 40 177.916 176.728 1.188 1
1 492 . 4 1 1 A 41 41 ASP N N 41 117.798 119.625 -1.827 1
1 493 . 4 1 1 A 41 41 ASP H H 41 8.138 8.119 0.019 1
1 494 . 4 1 1 A 41 41 ASP CA C 41 53.578 55.827 -2.249 1
1 495 . 4 1 1 A 41 41 ASP HA H 41 4.723 4.675 0.048 1
1 496 . 4 1 1 A 41 41 ASP CB C 41 39.947 41.674 -1.727 1
1 499 . 4 1 1 A 41 41 ASP C C 41 178.048 177.533 0.515 1
1 500 . 4 1 1 A 42 42 GLY N N 42 106.809 106.184 0.625 1
1 501 . 4 1 1 A 42 42 GLY H H 42 8.125 7.899 0.226 1
1 502 . 4 1 1 A 42 42 GLY CA C 42 46.017 45.421 0.596 1
1 503 . 4 1 1 A 42 42 GLY HA3 H 42 4.156 4.049 0.107 1
1 504 . 4 1 1 A 42 42 GLY HA2 H 42 3.647 4.047 -0.400 1
1 505 . 4 1 1 A 42 42 GLY C C 42 174.932 173.347 1.585 1
1 506 . 4 1 1 A 43 43 GLU N N 43 116.783 119.577 -2.794 1
1 507 . 4 1 1 A 43 43 GLU H H 43 7.909 7.623 0.286 1
1 508 . 4 1 1 A 43 43 GLU CA C 43 53.603 55.642 -2.039 1
1 509 . 4 1 1 A 43 43 GLU HA H 43 4.741 4.456 0.285 1
1 510 . 4 1 1 A 43 43 GLU CB C 43 29.813 29.826 -0.013 1
1 516 . 4 1 1 A 43 43 GLU C C 43 176.455 175.195 1.260 1
1 517 . 4 1 1 A 44 44 VAL N N 44 120.785 126.087 -5.302 1
1 518 . 4 1 1 A 44 44 VAL H H 44 8.635 8.500 0.135 1
1 519 . 4 1 1 A 44 44 VAL CA C 44 61.231 62.162 -0.931 1
1 520 . 4 1 1 A 44 44 VAL HA H 44 4.503 4.378 0.125 1
1 521 . 4 1 1 A 44 44 VAL CB C 44 32.334 32.409 -0.075 1
1 531 . 4 1 1 A 44 44 VAL C C 44 175.366 175.410 -0.044 1
1 532 . 4 1 1 A 45 45 ILE N N 45 126.640 128.747 -2.107 1
1 533 . 4 1 1 A 45 45 ILE H H 45 8.972 9.328 -0.356 1
1 534 . 4 1 1 A 45 45 ILE CA C 45 59.456 59.441 0.015 1
1 535 . 4 1 1 A 45 45 ILE HA H 45 4.889 4.757 0.132 1
1 536 . 4 1 1 A 45 45 ILE CB C 45 38.628 38.612 0.016 1
1 549 . 4 1 1 A 45 45 ILE C C 45 176.485 174.558 1.927 1
1 550 . 4 1 1 A 46 46 LEU N N 46 123.557 128.536 -4.979 1
1 551 . 4 1 1 A 46 46 LEU H H 46 9.340 9.178 0.162 1
1 552 . 4 1 1 A 46 46 LEU CA C 46 52.946 53.318 -0.372 1
1 553 . 4 1 1 A 46 46 LEU HA H 46 5.384 5.996 -0.612 1
1 554 . 4 1 1 A 46 46 LEU CB C 46 42.721 42.648 0.073 1
1 564 . 4 1 1 A 46 46 LEU C C 46 177.393 175.197 2.196 1
1 565 . 4 1 1 A 47 47 LYS N N 47 119.462 126.050 -6.588 1
1 566 . 4 1 1 A 47 47 LYS H H 47 8.909 8.808 0.101 1
1 567 . 4 1 1 A 47 47 LYS CA C 47 53.220 54.633 -1.413 1
1 568 . 4 1 1 A 47 47 LYS HA H 47 4.959 4.877 0.082 1
1 569 . 4 1 1 A 47 47 LYS CB C 47 35.877 35.474 0.403 1
1 578 . 4 1 1 A 48 48 LYS CA C 48 58.654 58.641 0.013 1
1 579 . 4 1 1 A 48 48 LYS HA H 48 4.251 4.376 -0.125 1
1 580 . 4 1 1 A 48 48 LYS CB C 48 31.479 31.802 -0.323 1
1 591 . 4 1 1 A 48 48 LYS C C 48 178.183 177.000 1.183 1
1 592 . 4 1 1 A 49 49 TYR N N 49 125.460 120.397 5.063 1
1 593 . 4 1 1 A 49 49 TYR H H 49 8.189 8.004 0.185 1
1 594 . 4 1 1 A 49 49 TYR CA C 49 57.281 59.586 -2.305 1
1 595 . 4 1 1 A 49 49 TYR HA H 49 4.762 4.589 0.173 1
1 596 . 4 1 1 A 49 49 TYR CB C 49 38.697 38.172 0.525 1
1 599 . 4 1 1 A 49 49 TYR C C 49 176.094 176.304 -0.210 1
1 600 . 4 1 1 A 50 50 SER N N 50 122.040 114.841 7.199 1
1 601 . 4 1 1 A 50 50 SER H H 50 8.045 8.853 -0.808 1
1 602 . 4 1 1 A 50 50 SER CA C 50 54.280 62.841 -8.561 1
1 603 . 4 1 1 A 50 50 SER HA H 50 4.635 3.792 0.843 1
1 604 . 4 1 1 A 50 50 SER CB C 50 62.402 62.035 0.367 1
1 607 . 4 1 1 A 51 51 PRO CA C 51 62.488 63.647 -1.159 1
1 608 . 4 1 1 A 51 51 PRO HA H 51 4.298 4.470 -0.172 1
1 609 . 4 1 1 A 51 51 PRO CB C 51 31.121 32.884 -1.763 1
1 616 . 4 1 1 A 51 51 PRO C C 51 178.546 177.333 1.213 1
1 617 . 4 1 1 A 52 52 ILE N N 52 118.973 117.897 1.076 1
1 618 . 4 1 1 A 52 52 ILE H H 52 7.963 8.449 -0.486 1
1 619 . 4 1 1 A 52 52 ILE CA C 52 60.234 63.418 -3.184 1
1 620 . 4 1 1 A 52 52 ILE HA H 52 4.198 3.880 0.318 1
1 621 . 4 1 1 A 52 52 ILE CB C 52 37.863 36.744 1.119 1
1 634 . 4 1 1 A 52 52 ILE C C 52 177.929 176.867 1.062 1
1 635 . 4 1 1 A 53 53 SER N N 53 118.194 123.615 -5.421 1
1 636 . 4 1 1 A 53 53 SER H H 53 8.203 8.726 -0.523 1
1 637 . 4 1 1 A 53 53 SER CA C 53 57.318 61.019 -3.701 1
1 638 . 4 1 1 A 53 53 SER HA H 53 4.480 4.421 0.059 1
1 639 . 4 1 1 A 53 53 SER CB C 53 63.124 63.792 -0.668 1
1 641 . 4 1 1 A 53 53 SER C C 53 175.932 175.341 0.591 1
1 642 . 4 1 1 A 54 54 GLU N N 54 122.542 119.242 3.300 1
1 643 . 4 1 1 A 54 54 GLU H H 54 8.347 8.150 0.197 1
1 644 . 4 1 1 A 54 54 GLU CA C 54 55.560 57.919 -2.359 1
1 645 . 4 1 1 A 54 54 GLU HA H 54 4.387 4.621 -0.234 1
1 646 . 4 1 1 A 54 54 GLU CB C 54 29.438 32.620 -3.182 1
1 651 . 4 1 1 A 54 54 GLU C C 54 176.980 176.492 0.488 1
1 3 . 5 1 1 A 2 2 LYS CA C 2 55.606 56.507 -0.901 1
1 4 . 5 1 1 A 2 2 LYS HA H 2 4.540 4.597 -0.057 1
1 5 . 5 1 1 A 2 2 LYS CB C 2 32.447 33.442 -0.995 1
1 13 . 5 1 1 A 2 2 LYS C C 2 177.204 175.573 1.631 1
1 14 . 5 1 1 A 3 3 ALA N N 3 126.109 121.673 4.436 1
1 15 . 5 1 1 A 3 3 ALA H H 3 8.553 8.343 0.210 1
1 16 . 5 1 1 A 3 3 ALA CA C 3 52.218 53.903 -1.685 1
1 17 . 5 1 1 A 3 3 ALA HA H 3 4.342 4.170 0.172 1
1 18 . 5 1 1 A 3 3 ALA CB C 3 19.245 18.253 0.992 1
1 22 . 5 1 1 A 3 3 ALA C C 3 179.308 177.289 2.019 1
1 23 . 5 1 1 A 4 4 THR N N 4 112.465 113.377 -0.912 1
1 24 . 5 1 1 A 4 4 THR H H 4 8.078 8.356 -0.278 1
1 25 . 5 1 1 A 4 4 THR CA C 4 61.583 62.266 -0.683 1
1 26 . 5 1 1 A 4 4 THR HA H 4 4.420 4.612 -0.192 1
1 27 . 5 1 1 A 4 4 THR CB C 4 69.460 70.527 -1.067 1
1 33 . 5 1 1 A 4 4 THR C C 4 173.474 176.057 -2.583 1
1 34 . 5 1 1 A 5 5 GLY N N 5 111.771 110.453 1.318 1
1 35 . 5 1 1 A 5 5 GLY H H 5 9.037 8.257 0.780 1
1 36 . 5 1 1 A 5 5 GLY CA C 5 44.687 46.712 -2.025 1
1 37 . 5 1 1 A 5 5 GLY HA3 H 5 4.058 3.959 0.099 1
1 38 . 5 1 1 A 5 5 GLY HA2 H 5 3.623 3.958 -0.335 1
1 39 . 5 1 1 A 5 5 GLY C C 5 174.756 174.597 0.159 1
1 40 . 5 1 1 A 6 6 ILE N N 6 121.234 120.817 0.417 1
1 41 . 5 1 1 A 6 6 ILE H H 6 8.287 7.703 0.584 1
1 42 . 5 1 1 A 6 6 ILE CA C 6 60.578 60.098 0.480 1
1 43 . 5 1 1 A 6 6 ILE HA H 6 4.132 4.647 -0.515 1
1 44 . 5 1 1 A 6 6 ILE CB C 6 38.785 40.335 -1.550 1
1 57 . 5 1 1 A 6 6 ILE C C 6 176.395 174.393 2.002 1
1 58 . 5 1 1 A 7 7 VAL N N 7 126.096 131.235 -5.139 1
1 59 . 5 1 1 A 7 7 VAL H H 7 8.237 8.851 -0.614 1
1 60 . 5 1 1 A 7 7 VAL CA C 7 60.516 62.337 -1.821 1
1 61 . 5 1 1 A 7 7 VAL HA H 7 5.002 4.241 0.761 1
1 62 . 5 1 1 A 7 7 VAL CB C 7 32.807 32.342 0.465 1
1 72 . 5 1 1 A 7 7 VAL C C 7 179.140 174.772 4.368 1
1 73 . 5 1 1 A 8 8 ARG N N 8 127.158 128.205 -1.047 1
1 74 . 5 1 1 A 8 8 ARG H H 8 9.070 8.909 0.161 1
1 75 . 5 1 1 A 8 8 ARG CA C 8 52.551 54.478 -1.927 1
1 76 . 5 1 1 A 8 8 ARG HA H 8 4.805 5.048 -0.243 1
1 77 . 5 1 1 A 8 8 ARG CB C 8 34.444 33.598 0.846 1
1 86 . 5 1 1 A 8 8 ARG C C 8 176.302 174.626 1.676 1
1 87 . 5 1 1 A 9 9 ARG N N 9 118.729 128.194 -9.465 1
1 88 . 5 1 1 A 9 9 ARG H H 9 8.630 8.684 -0.054 1
1 89 . 5 1 1 A 9 9 ARG CA C 9 54.299 56.011 -1.712 1
1 90 . 5 1 1 A 9 9 ARG HA H 9 5.115 4.540 0.575 1
1 91 . 5 1 1 A 9 9 ARG CB C 9 31.277 29.976 1.301 1
1 99 . 5 1 1 A 9 9 ARG C C 9 178.367 176.531 1.836 1
1 100 . 5 1 1 A 10 10 ILE N N 10 122.469 125.175 -2.706 1
1 101 . 5 1 1 A 10 10 ILE H H 10 7.962 8.391 -0.429 1
1 102 . 5 1 1 A 10 10 ILE CA C 10 58.715 64.514 -5.799 1
1 103 . 5 1 1 A 10 10 ILE HA H 10 4.541 3.990 0.551 1
1 104 . 5 1 1 A 10 10 ILE CB C 10 39.300 37.642 1.658 1
1 117 . 5 1 1 A 10 10 ILE C C 10 177.681 175.098 2.583 1
1 118 . 5 1 1 A 11 11 ASP N N 11 127.298 120.322 6.976 1
1 119 . 5 1 1 A 11 11 ASP H H 11 8.557 7.917 0.640 1
1 120 . 5 1 1 A 11 11 ASP CA C 11 52.440 53.170 -0.730 1
1 121 . 5 1 1 A 11 11 ASP HA H 11 4.889 4.792 0.097 1
1 122 . 5 1 1 A 11 11 ASP CB C 11 40.972 42.449 -1.477 1
1 125 . 5 1 1 A 11 11 ASP C C 11 178.929 175.295 3.634 1
1 126 . 5 1 1 A 12 12 ASP N N 12 113.147 117.863 -4.716 1
1 127 . 5 1 1 A 12 12 ASP H H 12 8.506 8.884 -0.378 1
1 128 . 5 1 1 A 12 12 ASP CA C 12 55.100 56.125 -1.025 1
1 129 . 5 1 1 A 12 12 ASP HA H 12 4.054 4.514 -0.460 1
1 130 . 5 1 1 A 12 12 ASP CB C 12 38.734 40.279 -1.545 1
1 133 . 5 1 1 A 12 12 ASP C C 12 178.444 176.926 1.518 1
1 134 . 5 1 1 A 13 13 LEU N N 13 120.798 119.732 1.066 1
1 135 . 5 1 1 A 13 13 LEU H H 13 8.268 8.249 0.019 1
1 136 . 5 1 1 A 13 13 LEU CA C 13 53.160 56.569 -3.409 1
1 137 . 5 1 1 A 13 13 LEU HA H 13 4.510 4.446 0.064 1
1 138 . 5 1 1 A 13 13 LEU CB C 13 42.040 43.995 -1.955 1
1 151 . 5 1 1 A 13 13 LEU C C 13 178.487 176.845 1.642 1
1 152 . 5 1 1 A 14 14 GLY N N 14 106.617 107.429 -0.812 1
1 153 . 5 1 1 A 14 14 GLY H H 14 7.978 8.205 -0.227 1
1 154 . 5 1 1 A 14 14 GLY CA C 14 44.441 44.886 -0.445 1
1 155 . 5 1 1 A 14 14 GLY HA3 H 14 3.380 4.066 -0.686 1
1 156 . 5 1 1 A 14 14 GLY HA2 H 14 4.168 4.066 0.102 1
1 157 . 5 1 1 A 14 14 GLY C C 14 174.619 174.449 0.170 1
1 158 . 5 1 1 A 15 15 ARG N N 15 116.828 119.884 -3.056 1
1 159 . 5 1 1 A 15 15 ARG H H 15 8.530 7.863 0.667 1
1 160 . 5 1 1 A 15 15 ARG CA C 15 54.284 56.283 -1.999 1
1 161 . 5 1 1 A 15 15 ARG HA H 15 5.202 4.377 0.825 1
1 162 . 5 1 1 A 15 15 ARG CB C 15 31.579 31.426 0.153 1
1 171 . 5 1 1 A 15 15 ARG C C 15 178.314 175.304 3.010 1
1 172 . 5 1 1 A 16 16 VAL N N 16 119.216 121.736 -2.520 1
1 173 . 5 1 1 A 16 16 VAL H H 16 8.481 8.527 -0.046 1
1 174 . 5 1 1 A 16 16 VAL CA C 16 58.123 61.484 -3.361 1
1 175 . 5 1 1 A 16 16 VAL HA H 16 4.494 4.409 0.085 1
1 176 . 5 1 1 A 16 16 VAL CB C 16 36.071 32.020 4.051 1
1 186 . 5 1 1 A 16 16 VAL C C 16 174.742 175.255 -0.513 1
1 187 . 5 1 1 A 17 17 VAL N N 17 125.420 127.770 -2.350 1
1 188 . 5 1 1 A 17 17 VAL H H 17 7.990 8.674 -0.684 1
1 189 . 5 1 1 A 17 17 VAL CA C 17 61.551 63.178 -1.627 1
1 190 . 5 1 1 A 17 17 VAL HA H 17 3.882 4.135 -0.253 1
1 191 . 5 1 1 A 17 17 VAL CB C 17 32.136 31.177 0.959 1
1 201 . 5 1 1 A 17 17 VAL C C 17 176.487 175.745 0.742 1
1 202 . 5 1 1 A 18 18 ILE N N 18 125.876 128.895 -3.019 1
1 203 . 5 1 1 A 18 18 ILE H H 18 8.527 8.710 -0.183 1
1 204 . 5 1 1 A 18 18 ILE CA C 18 56.210 58.190 -1.980 1
1 205 . 5 1 1 A 18 18 ILE HA H 18 4.332 4.659 -0.327 1
1 206 . 5 1 1 A 18 18 ILE CB C 18 35.827 38.534 -2.707 1
1 219 . 5 1 1 A 18 18 ILE C C 18 176.060 174.457 1.603 1
1 220 . 5 1 1 A 19 19 PRO CA C 19 62.944 62.904 0.040 1
1 221 . 5 1 1 A 19 19 PRO HA H 19 4.549 4.537 0.012 1
1 222 . 5 1 1 A 19 19 PRO CB C 19 32.802 32.756 0.046 1
1 231 . 5 1 1 A 19 19 PRO C C 19 178.970 177.370 1.600 1
1 232 . 5 1 1 A 20 20 LYS N N 20 126.618 121.769 4.849 1
1 233 . 5 1 1 A 20 20 LYS H H 20 9.014 8.520 0.494 1
1 234 . 5 1 1 A 20 20 LYS CA C 20 59.765 58.574 1.191 1
1 235 . 5 1 1 A 20 20 LYS HA H 20 3.756 3.987 -0.231 1
1 236 . 5 1 1 A 20 20 LYS CB C 20 31.684 31.891 -0.207 1
1 247 . 5 1 1 A 20 20 LYS C C 20 179.313 177.862 1.451 1
1 248 . 5 1 1 A 21 21 GLU N N 21 117.455 120.832 -3.377 1
1 249 . 5 1 1 A 21 21 GLU H H 21 9.856 8.888 0.968 1
1 250 . 5 1 1 A 21 21 GLU CA C 21 59.771 58.808 0.963 1
1 251 . 5 1 1 A 21 21 GLU HA H 21 4.110 4.117 -0.007 1
1 252 . 5 1 1 A 21 21 GLU CB C 21 28.626 28.244 0.382 1
1 257 . 5 1 1 A 21 21 GLU C C 21 180.774 178.476 2.298 1
1 258 . 5 1 1 A 22 22 ILE N N 22 118.288 120.916 -2.628 1
1 259 . 5 1 1 A 22 22 ILE H H 22 7.074 7.330 -0.256 1
1 260 . 5 1 1 A 22 22 ILE CA C 22 63.046 64.585 -1.539 1
1 261 . 5 1 1 A 22 22 ILE HA H 22 3.849 3.895 -0.046 1
1 262 . 5 1 1 A 22 22 ILE CB C 22 36.466 37.906 -1.440 1
1 275 . 5 1 1 A 22 22 ILE C C 22 179.924 177.785 2.139 1
1 276 . 5 1 1 A 23 23 ARG N N 23 117.382 121.415 -4.033 1
1 277 . 5 1 1 A 23 23 ARG H H 23 7.830 8.143 -0.313 1
1 278 . 5 1 1 A 23 23 ARG CA C 23 60.379 59.212 1.167 1
1 279 . 5 1 1 A 23 23 ARG HA H 23 3.764 3.931 -0.167 1
1 280 . 5 1 1 A 23 23 ARG CB C 23 28.923 29.631 -0.708 1
1 288 . 5 1 1 A 23 23 ARG C C 23 180.110 178.145 1.965 1
1 289 . 5 1 1 A 24 24 ARG N N 24 115.785 119.590 -3.805 1
1 290 . 5 1 1 A 24 24 ARG H H 24 8.431 8.281 0.150 1
1 291 . 5 1 1 A 24 24 ARG CA C 24 58.531 59.198 -0.667 1
1 292 . 5 1 1 A 24 24 ARG HA H 24 4.183 4.060 0.123 1
1 293 . 5 1 1 A 24 24 ARG CB C 24 29.763 29.715 0.048 1
1 301 . 5 1 1 A 24 24 ARG C C 24 181.515 179.164 2.351 1
1 302 . 5 1 1 A 25 25 THR N N 25 115.618 115.784 -0.166 1
1 303 . 5 1 1 A 25 25 THR H H 25 7.733 7.965 -0.232 1
1 304 . 5 1 1 A 25 25 THR CA C 25 65.778 66.522 -0.744 1
1 305 . 5 1 1 A 25 25 THR HA H 25 3.994 4.000 -0.006 1
1 306 . 5 1 1 A 25 25 THR CB C 25 68.590 68.032 0.558 1
1 312 . 5 1 1 A 25 25 THR C C 25 177.350 176.964 0.386 1
1 313 . 5 1 1 A 26 26 LEU N N 26 117.244 120.604 -3.360 1
1 314 . 5 1 1 A 26 26 LEU H H 26 7.796 7.897 -0.101 1
1 315 . 5 1 1 A 26 26 LEU CA C 26 54.352 55.948 -1.596 1
1 316 . 5 1 1 A 26 26 LEU HA H 26 4.368 4.155 0.213 1
1 317 . 5 1 1 A 26 26 LEU CB C 26 42.330 42.089 0.241 1
1 329 . 5 1 1 A 26 26 LEU C C 26 177.163 176.779 0.384 1
1 330 . 5 1 1 A 27 27 ARG N N 27 116.574 118.045 -1.471 1
1 331 . 5 1 1 A 27 27 ARG H H 27 7.720 8.117 -0.397 1
1 332 . 5 1 1 A 27 27 ARG CA C 27 56.737 57.574 -0.837 1
1 333 . 5 1 1 A 27 27 ARG HA H 27 3.872 3.943 -0.071 1
1 334 . 5 1 1 A 27 27 ARG CB C 27 25.656 28.933 -3.277 1
1 340 . 5 1 1 A 27 27 ARG C C 27 176.893 174.692 2.201 1
1 341 . 5 1 1 A 28 28 ILE N N 28 116.788 119.443 -2.655 1
1 342 . 5 1 1 A 28 28 ILE H H 28 8.332 7.694 0.638 1
1 343 . 5 1 1 A 28 28 ILE CA C 28 60.527 59.660 0.867 1
1 344 . 5 1 1 A 28 28 ILE HA H 28 4.465 4.793 -0.328 1
1 345 . 5 1 1 A 28 28 ILE CB C 28 39.882 41.286 -1.404 1
1 356 . 5 1 1 A 28 28 ILE C C 28 176.976 174.656 2.320 1
1 357 . 5 1 1 A 29 29 ARG N N 29 128.150 121.115 7.035 1
1 358 . 5 1 1 A 29 29 ARG H H 29 9.187 8.814 0.373 1
1 359 . 5 1 1 A 29 29 ARG CA C 29 53.925 54.774 -0.849 1
1 360 . 5 1 1 A 29 29 ARG HA H 29 4.472 4.800 -0.328 1
1 361 . 5 1 1 A 29 29 ARG CB C 29 31.701 31.158 0.543 1
1 369 . 5 1 1 A 29 29 ARG C C 29 176.397 175.603 0.794 1
1 370 . 5 1 1 A 30 30 GLU N N 30 119.127 116.338 2.789 1
1 371 . 5 1 1 A 30 30 GLU H H 30 8.813 8.423 0.390 1
1 372 . 5 1 1 A 30 30 GLU CA C 30 58.715 56.558 2.157 1
1 373 . 5 1 1 A 30 30 GLU HA H 30 3.642 4.431 -0.789 1
1 374 . 5 1 1 A 30 30 GLU CB C 30 27.910 27.978 -0.068 1
1 379 . 5 1 1 A 30 30 GLU C C 30 178.085 176.472 1.613 1
1 380 . 5 1 1 A 31 31 GLY N N 31 113.446 107.691 5.755 1
1 381 . 5 1 1 A 31 31 GLY H H 31 8.365 8.221 0.144 1
1 382 . 5 1 1 A 31 31 GLY CA C 31 44.684 45.729 -1.045 1
1 383 . 5 1 1 A 31 31 GLY HA3 H 31 4.401 4.135 0.266 1
1 384 . 5 1 1 A 31 31 GLY HA2 H 31 3.749 4.134 -0.385 1
1 385 . 5 1 1 A 31 31 GLY C C 31 175.765 173.544 2.221 1
1 386 . 5 1 1 A 32 32 ASP N N 32 121.874 122.079 -0.205 1
1 387 . 5 1 1 A 32 32 ASP H H 32 8.288 7.771 0.517 1
1 388 . 5 1 1 A 32 32 ASP CA C 32 52.900 51.645 1.255 1
1 389 . 5 1 1 A 32 32 ASP HA H 32 4.973 5.051 -0.078 1
1 390 . 5 1 1 A 32 32 ASP CB C 32 39.908 41.789 -1.881 1
1 393 . 5 1 1 A 32 32 ASP C C 32 176.423 174.818 1.605 1
1 394 . 5 1 1 A 33 33 PRO CA C 33 61.096 62.558 -1.462 1
1 395 . 5 1 1 A 33 33 PRO HA H 33 4.774 4.892 -0.118 1
1 396 . 5 1 1 A 33 33 PRO CB C 33 31.074 32.961 -1.887 1
1 405 . 5 1 1 A 33 33 PRO C C 33 177.497 175.932 1.565 1
1 406 . 5 1 1 A 34 34 LEU N N 34 123.101 122.140 0.961 1
1 407 . 5 1 1 A 34 34 LEU H H 34 9.067 8.645 0.422 1
1 408 . 5 1 1 A 34 34 LEU CA C 34 52.842 53.134 -0.292 1
1 409 . 5 1 1 A 34 34 LEU HA H 34 5.052 5.517 -0.465 1
1 410 . 5 1 1 A 34 34 LEU CB C 34 44.012 46.418 -2.406 1
1 419 . 5 1 1 A 34 34 LEU C C 34 176.051 174.790 1.261 1
1 420 . 5 1 1 A 35 35 GLU N N 35 122.921 123.635 -0.714 1
1 421 . 5 1 1 A 35 35 GLU H H 35 9.535 9.366 0.169 1
1 422 . 5 1 1 A 35 35 GLU CA C 35 54.656 54.936 -0.280 1
1 423 . 5 1 1 A 35 35 GLU HA H 35 4.218 4.938 -0.720 1
1 424 . 5 1 1 A 35 35 GLU CB C 35 32.760 31.347 1.413 1
1 430 . 5 1 1 A 35 35 GLU C C 35 177.010 175.164 1.846 1
1 431 . 5 1 1 A 36 36 ILE N N 36 122.970 128.733 -5.763 1
1 432 . 5 1 1 A 36 36 ILE H H 36 8.514 8.765 -0.251 1
1 433 . 5 1 1 A 36 36 ILE CA C 36 60.838 60.549 0.289 1
1 434 . 5 1 1 A 36 36 ILE HA H 36 4.184 4.705 -0.521 1
1 435 . 5 1 1 A 36 36 ILE CB C 36 38.529 36.796 1.733 1
1 448 . 5 1 1 A 36 36 ILE C C 36 177.618 175.232 2.386 1
1 449 . 5 1 1 A 37 37 PHE N N 37 125.834 123.586 2.248 1
1 450 . 5 1 1 A 37 37 PHE H H 37 9.392 9.336 0.056 1
1 451 . 5 1 1 A 37 37 PHE CA C 37 55.662 55.688 -0.026 1
1 452 . 5 1 1 A 37 37 PHE HA H 37 5.087 5.341 -0.254 1
1 453 . 5 1 1 A 37 37 PHE CB C 37 42.260 41.912 0.348 1
1 456 . 5 1 1 A 37 37 PHE C C 37 175.006 172.523 2.483 1
1 457 . 5 1 1 A 38 38 VAL N N 38 116.642 124.527 -7.885 1
1 458 . 5 1 1 A 38 38 VAL H H 38 8.519 8.904 -0.385 1
1 459 . 5 1 1 A 38 38 VAL CA C 38 60.289 61.584 -1.295 1
1 460 . 5 1 1 A 38 38 VAL HA H 38 5.154 4.277 0.877 1
1 461 . 5 1 1 A 38 38 VAL CB C 38 34.258 32.264 1.994 1
1 471 . 5 1 1 A 38 38 VAL C C 38 177.654 175.480 2.174 1
1 472 . 5 1 1 A 39 39 ASP N N 39 124.423 129.148 -4.725 1
1 473 . 5 1 1 A 39 39 ASP H H 39 8.720 8.824 -0.104 1
1 474 . 5 1 1 A 39 39 ASP CA C 39 51.372 56.458 -5.086 1
1 475 . 5 1 1 A 39 39 ASP HA H 39 5.014 4.512 0.502 1
1 476 . 5 1 1 A 39 39 ASP CB C 39 42.446 41.431 1.015 1
1 479 . 5 1 1 A 39 39 ASP C C 39 178.788 176.505 2.283 1
1 480 . 5 1 1 A 40 40 ARG N N 40 117.971 117.326 0.645 1
1 481 . 5 1 1 A 40 40 ARG H H 40 8.601 7.942 0.659 1
1 482 . 5 1 1 A 40 40 ARG CA C 40 57.264 55.587 1.677 1
1 483 . 5 1 1 A 40 40 ARG HA H 40 4.174 4.608 -0.434 1
1 484 . 5 1 1 A 40 40 ARG CB C 40 29.007 30.904 -1.897 1
1 491 . 5 1 1 A 40 40 ARG C C 40 177.916 176.730 1.186 1
1 492 . 5 1 1 A 41 41 ASP N N 41 117.798 120.180 -2.382 1
1 493 . 5 1 1 A 41 41 ASP H H 41 8.138 8.164 -0.026 1
1 494 . 5 1 1 A 41 41 ASP CA C 41 53.578 56.205 -2.627 1
1 495 . 5 1 1 A 41 41 ASP HA H 41 4.723 4.428 0.295 1
1 496 . 5 1 1 A 41 41 ASP CB C 41 39.947 41.112 -1.165 1
1 499 . 5 1 1 A 41 41 ASP C C 41 178.048 177.558 0.490 1
1 500 . 5 1 1 A 42 42 GLY N N 42 106.809 106.552 0.257 1
1 501 . 5 1 1 A 42 42 GLY H H 42 8.125 7.921 0.204 1
1 502 . 5 1 1 A 42 42 GLY CA C 42 46.017 45.472 0.545 1
1 503 . 5 1 1 A 42 42 GLY HA3 H 42 4.156 4.055 0.101 1
1 504 . 5 1 1 A 42 42 GLY HA2 H 42 3.647 4.050 -0.403 1
1 505 . 5 1 1 A 42 42 GLY C C 42 174.932 173.287 1.645 1
1 506 . 5 1 1 A 43 43 GLU N N 43 116.783 119.567 -2.784 1
1 507 . 5 1 1 A 43 43 GLU H H 43 7.909 7.617 0.292 1
1 508 . 5 1 1 A 43 43 GLU CA C 43 53.603 55.755 -2.152 1
1 509 . 5 1 1 A 43 43 GLU HA H 43 4.741 4.507 0.234 1
1 510 . 5 1 1 A 43 43 GLU CB C 43 29.813 29.828 -0.015 1
1 516 . 5 1 1 A 43 43 GLU C C 43 176.455 175.233 1.222 1
1 517 . 5 1 1 A 44 44 VAL N N 44 120.785 126.093 -5.308 1
1 518 . 5 1 1 A 44 44 VAL H H 44 8.635 8.503 0.132 1
1 519 . 5 1 1 A 44 44 VAL CA C 44 61.231 62.239 -1.008 1
1 520 . 5 1 1 A 44 44 VAL HA H 44 4.503 4.405 0.098 1
1 521 . 5 1 1 A 44 44 VAL CB C 44 32.334 32.380 -0.046 1
1 531 . 5 1 1 A 44 44 VAL C C 44 175.366 175.405 -0.039 1
1 532 . 5 1 1 A 45 45 ILE N N 45 126.640 128.881 -2.241 1
1 533 . 5 1 1 A 45 45 ILE H H 45 8.972 9.330 -0.358 1
1 534 . 5 1 1 A 45 45 ILE CA C 45 59.456 59.619 -0.163 1
1 535 . 5 1 1 A 45 45 ILE HA H 45 4.889 4.781 0.108 1
1 536 . 5 1 1 A 45 45 ILE CB C 45 38.628 38.846 -0.218 1
1 549 . 5 1 1 A 45 45 ILE C C 45 176.485 174.706 1.779 1
1 550 . 5 1 1 A 46 46 LEU N N 46 123.557 128.236 -4.679 1
1 551 . 5 1 1 A 46 46 LEU H H 46 9.340 9.038 0.302 1
1 552 . 5 1 1 A 46 46 LEU CA C 46 52.946 53.511 -0.565 1
1 553 . 5 1 1 A 46 46 LEU HA H 46 5.384 5.958 -0.574 1
1 554 . 5 1 1 A 46 46 LEU CB C 46 42.721 42.828 -0.107 1
1 564 . 5 1 1 A 46 46 LEU C C 46 177.393 175.945 1.448 1
1 565 . 5 1 1 A 47 47 LYS N N 47 119.462 124.575 -5.113 1
1 566 . 5 1 1 A 47 47 LYS H H 47 8.909 8.335 0.574 1
1 567 . 5 1 1 A 47 47 LYS CA C 47 53.220 54.458 -1.238 1
1 568 . 5 1 1 A 47 47 LYS HA H 47 4.959 5.001 -0.042 1
1 569 . 5 1 1 A 47 47 LYS CB C 47 35.877 35.869 0.008 1
1 578 . 5 1 1 A 48 48 LYS CA C 48 58.654 58.654 0.000 1
1 579 . 5 1 1 A 48 48 LYS HA H 48 4.251 4.736 -0.485 1
1 580 . 5 1 1 A 48 48 LYS CB C 48 31.479 31.895 -0.416 1
1 591 . 5 1 1 A 48 48 LYS C C 48 178.183 177.107 1.076 1
1 592 . 5 1 1 A 49 49 TYR N N 49 125.460 120.219 5.241 1
1 593 . 5 1 1 A 49 49 TYR H H 49 8.189 8.025 0.164 1
1 594 . 5 1 1 A 49 49 TYR CA C 49 57.281 59.562 -2.281 1
1 595 . 5 1 1 A 49 49 TYR HA H 49 4.762 4.568 0.194 1
1 596 . 5 1 1 A 49 49 TYR CB C 49 38.697 38.187 0.510 1
1 599 . 5 1 1 A 49 49 TYR C C 49 176.094 176.416 -0.322 1
1 600 . 5 1 1 A 50 50 SER N N 50 122.040 114.108 7.932 1
1 601 . 5 1 1 A 50 50 SER H H 50 8.045 9.225 -1.180 1
1 602 . 5 1 1 A 50 50 SER CA C 50 54.280 62.317 -8.037 1
1 603 . 5 1 1 A 50 50 SER HA H 50 4.635 3.977 0.658 1
1 604 . 5 1 1 A 50 50 SER CB C 50 62.402 61.909 0.493 1
1 607 . 5 1 1 A 51 51 PRO CA C 51 62.488 63.758 -1.270 1
1 608 . 5 1 1 A 51 51 PRO HA H 51 4.298 4.552 -0.254 1
1 609 . 5 1 1 A 51 51 PRO CB C 51 31.121 32.983 -1.862 1
1 616 . 5 1 1 A 51 51 PRO C C 51 178.546 177.367 1.179 1
1 617 . 5 1 1 A 52 52 ILE N N 52 118.973 117.562 1.411 1
1 618 . 5 1 1 A 52 52 ILE H H 52 7.963 8.436 -0.473 1
1 619 . 5 1 1 A 52 52 ILE CA C 52 60.234 63.181 -2.947 1
1 620 . 5 1 1 A 52 52 ILE HA H 52 4.198 3.895 0.303 1
1 621 . 5 1 1 A 52 52 ILE CB C 52 37.863 36.626 1.237 1
1 634 . 5 1 1 A 52 52 ILE C C 52 177.929 175.904 2.025 1
1 635 . 5 1 1 A 53 53 SER N N 53 118.194 121.746 -3.552 1
1 636 . 5 1 1 A 53 53 SER H H 53 8.203 8.527 -0.324 1
1 637 . 5 1 1 A 53 53 SER CA C 53 57.318 57.167 0.151 1
1 638 . 5 1 1 A 53 53 SER HA H 53 4.480 4.677 -0.197 1
1 639 . 5 1 1 A 53 53 SER CB C 53 63.124 61.641 1.483 1
1 641 . 5 1 1 A 53 53 SER C C 53 175.932 174.393 1.539 1
1 642 . 5 1 1 A 54 54 GLU N N 54 122.542 121.881 0.661 1
1 643 . 5 1 1 A 54 54 GLU H H 54 8.347 8.284 0.063 1
1 644 . 5 1 1 A 54 54 GLU CA C 54 55.560 57.246 -1.686 1
1 645 . 5 1 1 A 54 54 GLU HA H 54 4.387 4.007 0.380 1
1 646 . 5 1 1 A 54 54 GLU CB C 54 29.438 28.093 1.345 1
1 651 . 5 1 1 A 54 54 GLU C C 54 176.980 176.402 0.578 1
1 3 . 6 1 1 A 2 2 LYS CA C 2 55.606 55.611 -0.005 1
1 4 . 6 1 1 A 2 2 LYS HA H 2 4.540 4.492 0.048 1
1 5 . 6 1 1 A 2 2 LYS CB C 2 32.447 33.561 -1.114 1
1 13 . 6 1 1 A 2 2 LYS C C 2 177.204 175.695 1.509 1
1 14 . 6 1 1 A 3 3 ALA N N 3 126.109 121.890 4.219 1
1 15 . 6 1 1 A 3 3 ALA H H 3 8.553 8.502 0.051 1
1 16 . 6 1 1 A 3 3 ALA CA C 3 52.218 52.951 -0.733 1
1 17 . 6 1 1 A 3 3 ALA HA H 3 4.342 4.060 0.282 1
1 18 . 6 1 1 A 3 3 ALA CB C 3 19.245 17.774 1.471 1
1 22 . 6 1 1 A 3 3 ALA C C 3 179.308 178.110 1.198 1
1 23 . 6 1 1 A 4 4 THR N N 4 112.465 116.291 -3.826 1
1 24 . 6 1 1 A 4 4 THR H H 4 8.078 8.366 -0.288 1
1 25 . 6 1 1 A 4 4 THR CA C 4 61.583 62.624 -1.041 1
1 26 . 6 1 1 A 4 4 THR HA H 4 4.420 4.509 -0.089 1
1 27 . 6 1 1 A 4 4 THR CB C 4 69.460 70.523 -1.063 1
1 33 . 6 1 1 A 4 4 THR C C 4 173.474 175.759 -2.285 1
1 34 . 6 1 1 A 5 5 GLY N N 5 111.771 111.613 0.158 1
1 35 . 6 1 1 A 5 5 GLY H H 5 9.037 8.229 0.808 1
1 36 . 6 1 1 A 5 5 GLY CA C 5 44.687 46.824 -2.137 1
1 37 . 6 1 1 A 5 5 GLY HA3 H 5 4.058 3.926 0.132 1
1 38 . 6 1 1 A 5 5 GLY HA2 H 5 3.623 3.924 -0.301 1
1 39 . 6 1 1 A 5 5 GLY C C 5 174.756 174.647 0.109 1
1 40 . 6 1 1 A 6 6 ILE N N 6 121.234 121.094 0.140 1
1 41 . 6 1 1 A 6 6 ILE H H 6 8.287 7.742 0.545 1
1 42 . 6 1 1 A 6 6 ILE CA C 6 60.578 60.248 0.330 1
1 43 . 6 1 1 A 6 6 ILE HA H 6 4.132 4.546 -0.414 1
1 44 . 6 1 1 A 6 6 ILE CB C 6 38.785 39.751 -0.966 1
1 57 . 6 1 1 A 6 6 ILE C C 6 176.395 174.334 2.061 1
1 58 . 6 1 1 A 7 7 VAL N N 7 126.096 131.413 -5.317 1
1 59 . 6 1 1 A 7 7 VAL H H 7 8.237 8.814 -0.577 1
1 60 . 6 1 1 A 7 7 VAL CA C 7 60.516 62.279 -1.763 1
1 61 . 6 1 1 A 7 7 VAL HA H 7 5.002 4.244 0.758 1
1 62 . 6 1 1 A 7 7 VAL CB C 7 32.807 32.300 0.507 1
1 72 . 6 1 1 A 7 7 VAL C C 7 179.140 174.820 4.320 1
1 73 . 6 1 1 A 8 8 ARG N N 8 127.158 128.003 -0.845 1
1 74 . 6 1 1 A 8 8 ARG H H 8 9.070 8.931 0.139 1
1 75 . 6 1 1 A 8 8 ARG CA C 8 52.551 54.386 -1.835 1
1 76 . 6 1 1 A 8 8 ARG HA H 8 4.805 5.065 -0.260 1
1 77 . 6 1 1 A 8 8 ARG CB C 8 34.444 33.439 1.005 1
1 86 . 6 1 1 A 8 8 ARG C C 8 176.302 174.762 1.540 1
1 87 . 6 1 1 A 9 9 ARG N N 9 118.729 127.988 -9.259 1
1 88 . 6 1 1 A 9 9 ARG H H 9 8.630 8.612 0.018 1
1 89 . 6 1 1 A 9 9 ARG CA C 9 54.299 56.238 -1.939 1
1 90 . 6 1 1 A 9 9 ARG HA H 9 5.115 4.556 0.559 1
1 91 . 6 1 1 A 9 9 ARG CB C 9 31.277 30.617 0.660 1
1 99 . 6 1 1 A 9 9 ARG C C 9 178.367 176.651 1.716 1
1 100 . 6 1 1 A 10 10 ILE N N 10 122.469 125.693 -3.224 1
1 101 . 6 1 1 A 10 10 ILE H H 10 7.962 8.473 -0.511 1
1 102 . 6 1 1 A 10 10 ILE CA C 10 58.715 64.381 -5.666 1
1 103 . 6 1 1 A 10 10 ILE HA H 10 4.541 4.073 0.468 1
1 104 . 6 1 1 A 10 10 ILE CB C 10 39.300 37.756 1.544 1
1 117 . 6 1 1 A 10 10 ILE C C 10 177.681 175.259 2.422 1
1 118 . 6 1 1 A 11 11 ASP N N 11 127.298 119.492 7.806 1
1 119 . 6 1 1 A 11 11 ASP H H 11 8.557 7.870 0.687 1
1 120 . 6 1 1 A 11 11 ASP CA C 11 52.440 53.285 -0.845 1
1 121 . 6 1 1 A 11 11 ASP HA H 11 4.889 4.748 0.141 1
1 122 . 6 1 1 A 11 11 ASP CB C 11 40.972 41.437 -0.465 1
1 125 . 6 1 1 A 11 11 ASP C C 11 178.929 175.328 3.601 1
1 126 . 6 1 1 A 12 12 ASP N N 12 113.147 117.572 -4.425 1
1 127 . 6 1 1 A 12 12 ASP H H 12 8.506 8.901 -0.395 1
1 128 . 6 1 1 A 12 12 ASP CA C 12 55.100 56.351 -1.251 1
1 129 . 6 1 1 A 12 12 ASP HA H 12 4.054 4.456 -0.402 1
1 130 . 6 1 1 A 12 12 ASP CB C 12 38.734 40.428 -1.694 1
1 133 . 6 1 1 A 12 12 ASP C C 12 178.444 177.466 0.978 1
1 134 . 6 1 1 A 13 13 LEU N N 13 120.798 119.338 1.460 1
1 135 . 6 1 1 A 13 13 LEU H H 13 8.268 8.273 -0.005 1
1 136 . 6 1 1 A 13 13 LEU CA C 13 53.160 56.874 -3.714 1
1 137 . 6 1 1 A 13 13 LEU HA H 13 4.510 4.360 0.150 1
1 138 . 6 1 1 A 13 13 LEU CB C 13 42.040 44.020 -1.980 1
1 151 . 6 1 1 A 13 13 LEU C C 13 178.487 176.755 1.732 1
1 152 . 6 1 1 A 14 14 GLY N N 14 106.617 107.424 -0.807 1
1 153 . 6 1 1 A 14 14 GLY H H 14 7.978 8.255 -0.277 1
1 154 . 6 1 1 A 14 14 GLY CA C 14 44.441 44.927 -0.486 1
1 155 . 6 1 1 A 14 14 GLY HA3 H 14 3.380 4.045 -0.665 1
1 156 . 6 1 1 A 14 14 GLY HA2 H 14 4.168 4.045 0.123 1
1 157 . 6 1 1 A 14 14 GLY C C 14 174.619 174.492 0.127 1
1 158 . 6 1 1 A 15 15 ARG N N 15 116.828 120.289 -3.461 1
1 159 . 6 1 1 A 15 15 ARG H H 15 8.530 8.093 0.437 1
1 160 . 6 1 1 A 15 15 ARG CA C 15 54.284 56.801 -2.517 1
1 161 . 6 1 1 A 15 15 ARG HA H 15 5.202 4.297 0.905 1
1 162 . 6 1 1 A 15 15 ARG CB C 15 31.579 31.553 0.026 1
1 171 . 6 1 1 A 15 15 ARG C C 15 178.314 175.402 2.912 1
1 172 . 6 1 1 A 16 16 VAL N N 16 119.216 122.608 -3.392 1
1 173 . 6 1 1 A 16 16 VAL H H 16 8.481 8.715 -0.234 1
1 174 . 6 1 1 A 16 16 VAL CA C 16 58.123 61.520 -3.397 1
1 175 . 6 1 1 A 16 16 VAL HA H 16 4.494 4.357 0.137 1
1 176 . 6 1 1 A 16 16 VAL CB C 16 36.071 31.442 4.629 1
1 186 . 6 1 1 A 16 16 VAL C C 16 174.742 175.272 -0.530 1
1 187 . 6 1 1 A 17 17 VAL N N 17 125.420 127.885 -2.465 1
1 188 . 6 1 1 A 17 17 VAL H H 17 7.990 8.603 -0.613 1
1 189 . 6 1 1 A 17 17 VAL CA C 17 61.551 63.078 -1.527 1
1 190 . 6 1 1 A 17 17 VAL HA H 17 3.882 4.163 -0.281 1
1 191 . 6 1 1 A 17 17 VAL CB C 17 32.136 31.090 1.046 1
1 201 . 6 1 1 A 17 17 VAL C C 17 176.487 175.503 0.984 1
1 202 . 6 1 1 A 18 18 ILE N N 18 125.876 128.913 -3.037 1
1 203 . 6 1 1 A 18 18 ILE H H 18 8.527 8.627 -0.100 1
1 204 . 6 1 1 A 18 18 ILE CA C 18 56.210 58.117 -1.907 1
1 205 . 6 1 1 A 18 18 ILE HA H 18 4.332 4.640 -0.308 1
1 206 . 6 1 1 A 18 18 ILE CB C 18 35.827 38.565 -2.738 1
1 219 . 6 1 1 A 18 18 ILE C C 18 176.060 174.325 1.735 1
1 220 . 6 1 1 A 19 19 PRO CA C 19 62.944 62.981 -0.037 1
1 221 . 6 1 1 A 19 19 PRO HA H 19 4.549 4.545 0.004 1
1 222 . 6 1 1 A 19 19 PRO CB C 19 32.802 32.720 0.082 1
1 231 . 6 1 1 A 19 19 PRO C C 19 178.970 177.389 1.581 1
1 232 . 6 1 1 A 20 20 LYS N N 20 126.618 121.738 4.880 1
1 233 . 6 1 1 A 20 20 LYS H H 20 9.014 8.477 0.537 1
1 234 . 6 1 1 A 20 20 LYS CA C 20 59.765 58.521 1.244 1
1 235 . 6 1 1 A 20 20 LYS HA H 20 3.756 3.990 -0.234 1
1 236 . 6 1 1 A 20 20 LYS CB C 20 31.684 31.877 -0.193 1
1 247 . 6 1 1 A 20 20 LYS C C 20 179.313 177.811 1.502 1
1 248 . 6 1 1 A 21 21 GLU N N 21 117.455 120.878 -3.423 1
1 249 . 6 1 1 A 21 21 GLU H H 21 9.856 8.977 0.879 1
1 250 . 6 1 1 A 21 21 GLU CA C 21 59.771 58.743 1.028 1
1 251 . 6 1 1 A 21 21 GLU HA H 21 4.110 4.111 -0.001 1
1 252 . 6 1 1 A 21 21 GLU CB C 21 28.626 27.980 0.646 1
1 257 . 6 1 1 A 21 21 GLU C C 21 180.774 178.452 2.322 1
1 258 . 6 1 1 A 22 22 ILE N N 22 118.288 120.593 -2.305 1
1 259 . 6 1 1 A 22 22 ILE H H 22 7.074 7.461 -0.387 1
1 260 . 6 1 1 A 22 22 ILE CA C 22 63.046 64.238 -1.192 1
1 261 . 6 1 1 A 22 22 ILE HA H 22 3.849 3.951 -0.102 1
1 262 . 6 1 1 A 22 22 ILE CB C 22 36.466 37.922 -1.456 1
1 275 . 6 1 1 A 22 22 ILE C C 22 179.924 178.399 1.525 1
1 276 . 6 1 1 A 23 23 ARG N N 23 117.382 120.821 -3.439 1
1 277 . 6 1 1 A 23 23 ARG H H 23 7.830 7.749 0.081 1
1 278 . 6 1 1 A 23 23 ARG CA C 23 60.379 58.157 2.222 1
1 279 . 6 1 1 A 23 23 ARG HA H 23 3.764 4.075 -0.311 1
1 280 . 6 1 1 A 23 23 ARG CB C 23 28.923 29.695 -0.772 1
1 288 . 6 1 1 A 23 23 ARG C C 23 180.110 178.595 1.515 1
1 289 . 6 1 1 A 24 24 ARG N N 24 115.785 119.913 -4.128 1
1 290 . 6 1 1 A 24 24 ARG H H 24 8.431 8.233 0.198 1
1 291 . 6 1 1 A 24 24 ARG CA C 24 58.531 59.195 -0.664 1
1 292 . 6 1 1 A 24 24 ARG HA H 24 4.183 4.060 0.123 1
1 293 . 6 1 1 A 24 24 ARG CB C 24 29.763 29.641 0.122 1
1 301 . 6 1 1 A 24 24 ARG C C 24 181.515 179.221 2.294 1
1 302 . 6 1 1 A 25 25 THR N N 25 115.618 115.939 -0.321 1
1 303 . 6 1 1 A 25 25 THR H H 25 7.733 7.984 -0.251 1
1 304 . 6 1 1 A 25 25 THR CA C 25 65.778 66.692 -0.914 1
1 305 . 6 1 1 A 25 25 THR HA H 25 3.994 4.008 -0.014 1
1 306 . 6 1 1 A 25 25 THR CB C 25 68.590 67.900 0.690 1
1 312 . 6 1 1 A 25 25 THR C C 25 177.350 176.905 0.445 1
1 313 . 6 1 1 A 26 26 LEU N N 26 117.244 120.649 -3.405 1
1 314 . 6 1 1 A 26 26 LEU H H 26 7.796 7.861 -0.065 1
1 315 . 6 1 1 A 26 26 LEU CA C 26 54.352 56.013 -1.661 1
1 316 . 6 1 1 A 26 26 LEU HA H 26 4.368 4.160 0.208 1
1 317 . 6 1 1 A 26 26 LEU CB C 26 42.330 42.074 0.256 1
1 329 . 6 1 1 A 26 26 LEU C C 26 177.163 176.443 0.720 1
1 330 . 6 1 1 A 27 27 ARG N N 27 116.574 116.711 -0.137 1
1 331 . 6 1 1 A 27 27 ARG H H 27 7.720 7.843 -0.123 1
1 332 . 6 1 1 A 27 27 ARG CA C 27 56.737 57.456 -0.719 1
1 333 . 6 1 1 A 27 27 ARG HA H 27 3.872 3.926 -0.054 1
1 334 . 6 1 1 A 27 27 ARG CB C 27 25.656 27.041 -1.385 1
1 340 . 6 1 1 A 27 27 ARG C C 27 176.893 174.694 2.199 1
1 341 . 6 1 1 A 28 28 ILE N N 28 116.788 118.162 -1.374 1
1 342 . 6 1 1 A 28 28 ILE H H 28 8.332 7.593 0.739 1
1 343 . 6 1 1 A 28 28 ILE CA C 28 60.527 59.618 0.909 1
1 344 . 6 1 1 A 28 28 ILE HA H 28 4.465 4.787 -0.322 1
1 345 . 6 1 1 A 28 28 ILE CB C 28 39.882 41.208 -1.326 1
1 356 . 6 1 1 A 28 28 ILE C C 28 176.976 174.579 2.397 1
1 357 . 6 1 1 A 29 29 ARG N N 29 128.150 121.167 6.983 1
1 358 . 6 1 1 A 29 29 ARG H H 29 9.187 8.858 0.329 1
1 359 . 6 1 1 A 29 29 ARG CA C 29 53.925 54.657 -0.732 1
1 360 . 6 1 1 A 29 29 ARG HA H 29 4.472 4.849 -0.377 1
1 361 . 6 1 1 A 29 29 ARG CB C 29 31.701 31.340 0.361 1
1 369 . 6 1 1 A 29 29 ARG C C 29 176.397 175.907 0.490 1
1 370 . 6 1 1 A 30 30 GLU N N 30 119.127 116.342 2.785 1
1 371 . 6 1 1 A 30 30 GLU H H 30 8.813 8.440 0.373 1
1 372 . 6 1 1 A 30 30 GLU CA C 30 58.715 56.578 2.137 1
1 373 . 6 1 1 A 30 30 GLU HA H 30 3.642 4.433 -0.791 1
1 374 . 6 1 1 A 30 30 GLU CB C 30 27.910 28.111 -0.201 1
1 379 . 6 1 1 A 30 30 GLU C C 30 178.085 176.485 1.600 1
1 380 . 6 1 1 A 31 31 GLY N N 31 113.446 107.913 5.533 1
1 381 . 6 1 1 A 31 31 GLY H H 31 8.365 8.218 0.147 1
1 382 . 6 1 1 A 31 31 GLY CA C 31 44.684 45.759 -1.075 1
1 383 . 6 1 1 A 31 31 GLY HA3 H 31 4.401 4.130 0.271 1
1 384 . 6 1 1 A 31 31 GLY HA2 H 31 3.749 4.129 -0.380 1
1 385 . 6 1 1 A 31 31 GLY C C 31 175.765 173.676 2.089 1
1 386 . 6 1 1 A 32 32 ASP N N 32 121.874 122.260 -0.386 1
1 387 . 6 1 1 A 32 32 ASP H H 32 8.288 7.730 0.558 1
1 388 . 6 1 1 A 32 32 ASP CA C 32 52.900 51.699 1.201 1
1 389 . 6 1 1 A 32 32 ASP HA H 32 4.973 5.031 -0.058 1
1 390 . 6 1 1 A 32 32 ASP CB C 32 39.908 41.692 -1.784 1
1 393 . 6 1 1 A 32 32 ASP C C 32 176.423 174.754 1.669 1
1 394 . 6 1 1 A 33 33 PRO CA C 33 61.096 62.540 -1.444 1
1 395 . 6 1 1 A 33 33 PRO HA H 33 4.774 4.921 -0.147 1
1 396 . 6 1 1 A 33 33 PRO CB C 33 31.074 32.931 -1.857 1
1 405 . 6 1 1 A 33 33 PRO C C 33 177.497 175.844 1.653 1
1 406 . 6 1 1 A 34 34 LEU N N 34 123.101 122.087 1.014 1
1 407 . 6 1 1 A 34 34 LEU H H 34 9.067 8.626 0.441 1
1 408 . 6 1 1 A 34 34 LEU CA C 34 52.842 53.156 -0.314 1
1 409 . 6 1 1 A 34 34 LEU HA H 34 5.052 5.621 -0.569 1
1 410 . 6 1 1 A 34 34 LEU CB C 34 44.012 46.359 -2.347 1
1 419 . 6 1 1 A 34 34 LEU C C 34 176.051 174.886 1.165 1
1 420 . 6 1 1 A 35 35 GLU N N 35 122.921 123.340 -0.419 1
1 421 . 6 1 1 A 35 35 GLU H H 35 9.535 9.314 0.221 1
1 422 . 6 1 1 A 35 35 GLU CA C 35 54.656 55.031 -0.375 1
1 423 . 6 1 1 A 35 35 GLU HA H 35 4.218 4.913 -0.695 1
1 424 . 6 1 1 A 35 35 GLU CB C 35 32.760 31.334 1.426 1
1 430 . 6 1 1 A 35 35 GLU C C 35 177.010 175.201 1.809 1
1 431 . 6 1 1 A 36 36 ILE N N 36 122.970 128.661 -5.691 1
1 432 . 6 1 1 A 36 36 ILE H H 36 8.514 8.696 -0.182 1
1 433 . 6 1 1 A 36 36 ILE CA C 36 60.838 60.293 0.545 1
1 434 . 6 1 1 A 36 36 ILE HA H 36 4.184 4.630 -0.446 1
1 435 . 6 1 1 A 36 36 ILE CB C 36 38.529 36.833 1.696 1
1 448 . 6 1 1 A 36 36 ILE C C 36 177.618 175.211 2.407 1
1 449 . 6 1 1 A 37 37 PHE N N 37 125.834 123.572 2.262 1
1 450 . 6 1 1 A 37 37 PHE H H 37 9.392 9.197 0.195 1
1 451 . 6 1 1 A 37 37 PHE CA C 37 55.662 55.810 -0.148 1
1 452 . 6 1 1 A 37 37 PHE HA H 37 5.087 5.308 -0.221 1
1 453 . 6 1 1 A 37 37 PHE CB C 37 42.260 41.899 0.361 1
1 456 . 6 1 1 A 37 37 PHE C C 37 175.006 172.498 2.508 1
1 457 . 6 1 1 A 38 38 VAL N N 38 116.642 123.846 -7.204 1
1 458 . 6 1 1 A 38 38 VAL H H 38 8.519 8.926 -0.407 1
1 459 . 6 1 1 A 38 38 VAL CA C 38 60.289 61.594 -1.305 1
1 460 . 6 1 1 A 38 38 VAL HA H 38 5.154 4.393 0.761 1
1 461 . 6 1 1 A 38 38 VAL CB C 38 34.258 32.304 1.954 1
1 471 . 6 1 1 A 38 38 VAL C C 38 177.654 175.681 1.973 1
1 472 . 6 1 1 A 39 39 ASP N N 39 124.423 129.278 -4.855 1
1 473 . 6 1 1 A 39 39 ASP H H 39 8.720 8.790 -0.070 1
1 474 . 6 1 1 A 39 39 ASP CA C 39 51.372 56.497 -5.125 1
1 475 . 6 1 1 A 39 39 ASP HA H 39 5.014 4.599 0.415 1
1 476 . 6 1 1 A 39 39 ASP CB C 39 42.446 41.799 0.647 1
1 479 . 6 1 1 A 39 39 ASP C C 39 178.788 176.639 2.149 1
1 480 . 6 1 1 A 40 40 ARG N N 40 117.971 115.134 2.837 1
1 481 . 6 1 1 A 40 40 ARG H H 40 8.601 7.874 0.727 1
1 482 . 6 1 1 A 40 40 ARG CA C 40 57.264 55.698 1.566 1
1 483 . 6 1 1 A 40 40 ARG HA H 40 4.174 4.599 -0.425 1
1 484 . 6 1 1 A 40 40 ARG CB C 40 29.007 30.940 -1.933 1
1 491 . 6 1 1 A 40 40 ARG C C 40 177.916 176.468 1.448 1
1 492 . 6 1 1 A 41 41 ASP N N 41 117.798 120.390 -2.592 1
1 493 . 6 1 1 A 41 41 ASP H H 41 8.138 8.182 -0.044 1
1 494 . 6 1 1 A 41 41 ASP CA C 41 53.578 55.979 -2.401 1
1 495 . 6 1 1 A 41 41 ASP HA H 41 4.723 4.563 0.160 1
1 496 . 6 1 1 A 41 41 ASP CB C 41 39.947 41.260 -1.313 1
1 499 . 6 1 1 A 41 41 ASP C C 41 178.048 177.243 0.805 1
1 500 . 6 1 1 A 42 42 GLY N N 42 106.809 105.979 0.830 1
1 501 . 6 1 1 A 42 42 GLY H H 42 8.125 7.875 0.250 1
1 502 . 6 1 1 A 42 42 GLY CA C 42 46.017 45.504 0.513 1
1 503 . 6 1 1 A 42 42 GLY HA3 H 42 4.156 4.044 0.112 1
1 504 . 6 1 1 A 42 42 GLY HA2 H 42 3.647 4.041 -0.394 1
1 505 . 6 1 1 A 42 42 GLY C C 42 174.932 173.243 1.689 1
1 506 . 6 1 1 A 43 43 GLU N N 43 116.783 119.827 -3.044 1
1 507 . 6 1 1 A 43 43 GLU H H 43 7.909 7.666 0.243 1
1 508 . 6 1 1 A 43 43 GLU CA C 43 53.603 55.611 -2.008 1
1 509 . 6 1 1 A 43 43 GLU HA H 43 4.741 4.455 0.286 1
1 510 . 6 1 1 A 43 43 GLU CB C 43 29.813 29.906 -0.093 1
1 516 . 6 1 1 A 43 43 GLU C C 43 176.455 175.303 1.152 1
1 517 . 6 1 1 A 44 44 VAL N N 44 120.785 126.025 -5.240 1
1 518 . 6 1 1 A 44 44 VAL H H 44 8.635 8.495 0.140 1
1 519 . 6 1 1 A 44 44 VAL CA C 44 61.231 62.223 -0.992 1
1 520 . 6 1 1 A 44 44 VAL HA H 44 4.503 4.376 0.127 1
1 521 . 6 1 1 A 44 44 VAL CB C 44 32.334 32.401 -0.067 1
1 531 . 6 1 1 A 44 44 VAL C C 44 175.366 175.391 -0.025 1
1 532 . 6 1 1 A 45 45 ILE N N 45 126.640 128.588 -1.948 1
1 533 . 6 1 1 A 45 45 ILE H H 45 8.972 9.365 -0.393 1
1 534 . 6 1 1 A 45 45 ILE CA C 45 59.456 59.424 0.032 1
1 535 . 6 1 1 A 45 45 ILE HA H 45 4.889 4.755 0.134 1
1 536 . 6 1 1 A 45 45 ILE CB C 45 38.628 38.758 -0.130 1
1 549 . 6 1 1 A 45 45 ILE C C 45 176.485 174.754 1.731 1
1 550 . 6 1 1 A 46 46 LEU N N 46 123.557 128.206 -4.649 1
1 551 . 6 1 1 A 46 46 LEU H H 46 9.340 9.024 0.316 1
1 552 . 6 1 1 A 46 46 LEU CA C 46 52.946 53.340 -0.394 1
1 553 . 6 1 1 A 46 46 LEU HA H 46 5.384 6.104 -0.720 1
1 554 . 6 1 1 A 46 46 LEU CB C 46 42.721 43.004 -0.283 1
1 564 . 6 1 1 A 46 46 LEU C C 46 177.393 175.868 1.525 1
1 565 . 6 1 1 A 47 47 LYS N N 47 119.462 124.261 -4.799 1
1 566 . 6 1 1 A 47 47 LYS H H 47 8.909 8.337 0.572 1
1 567 . 6 1 1 A 47 47 LYS CA C 47 53.220 54.297 -1.077 1
1 568 . 6 1 1 A 47 47 LYS HA H 47 4.959 4.897 0.062 1
1 569 . 6 1 1 A 47 47 LYS CB C 47 35.877 35.807 0.070 1
1 578 . 6 1 1 A 48 48 LYS CA C 48 58.654 58.652 0.002 1
1 579 . 6 1 1 A 48 48 LYS HA H 48 4.251 4.702 -0.451 1
1 580 . 6 1 1 A 48 48 LYS CB C 48 31.479 31.821 -0.342 1
1 591 . 6 1 1 A 48 48 LYS C C 48 178.183 177.100 1.083 1
1 592 . 6 1 1 A 49 49 TYR N N 49 125.460 120.247 5.213 1
1 593 . 6 1 1 A 49 49 TYR H H 49 8.189 8.049 0.140 1
1 594 . 6 1 1 A 49 49 TYR CA C 49 57.281 59.568 -2.287 1
1 595 . 6 1 1 A 49 49 TYR HA H 49 4.762 4.586 0.176 1
1 596 . 6 1 1 A 49 49 TYR CB C 49 38.697 38.191 0.506 1
1 599 . 6 1 1 A 49 49 TYR C C 49 176.094 176.286 -0.192 1
1 600 . 6 1 1 A 50 50 SER N N 50 122.040 114.936 7.104 1
1 601 . 6 1 1 A 50 50 SER H H 50 8.045 8.844 -0.799 1
1 602 . 6 1 1 A 50 50 SER CA C 50 54.280 62.795 -8.515 1
1 603 . 6 1 1 A 50 50 SER HA H 50 4.635 3.838 0.797 1
1 604 . 6 1 1 A 50 50 SER CB C 50 62.402 62.180 0.222 1
1 607 . 6 1 1 A 51 51 PRO CA C 51 62.488 63.445 -0.957 1
1 608 . 6 1 1 A 51 51 PRO HA H 51 4.298 4.539 -0.241 1
1 609 . 6 1 1 A 51 51 PRO CB C 51 31.121 32.617 -1.496 1
1 616 . 6 1 1 A 51 51 PRO C C 51 178.546 177.264 1.282 1
1 617 . 6 1 1 A 52 52 ILE N N 52 118.973 118.471 0.502 1
1 618 . 6 1 1 A 52 52 ILE H H 52 7.963 8.381 -0.418 1
1 619 . 6 1 1 A 52 52 ILE CA C 52 60.234 63.515 -3.281 1
1 620 . 6 1 1 A 52 52 ILE HA H 52 4.198 3.941 0.257 1
1 621 . 6 1 1 A 52 52 ILE CB C 52 37.863 36.629 1.234 1
1 634 . 6 1 1 A 52 52 ILE C C 52 177.929 175.520 2.409 1
1 635 . 6 1 1 A 53 53 SER N N 53 118.194 121.262 -3.068 1
1 636 . 6 1 1 A 53 53 SER H H 53 8.203 8.601 -0.398 1
1 637 . 6 1 1 A 53 53 SER CA C 53 57.318 57.833 -0.515 1
1 638 . 6 1 1 A 53 53 SER HA H 53 4.480 4.447 0.033 1
1 639 . 6 1 1 A 53 53 SER CB C 53 63.124 61.897 1.227 1
1 641 . 6 1 1 A 53 53 SER C C 53 175.932 175.246 0.686 1
1 642 . 6 1 1 A 54 54 GLU N N 54 122.542 125.607 -3.065 1
1 643 . 6 1 1 A 54 54 GLU H H 54 8.347 8.338 0.009 1
1 644 . 6 1 1 A 54 54 GLU CA C 54 55.560 58.437 -2.877 1
1 645 . 6 1 1 A 54 54 GLU HA H 54 4.387 4.211 0.176 1
1 646 . 6 1 1 A 54 54 GLU CB C 54 29.438 28.847 0.591 1
1 651 . 6 1 1 A 54 54 GLU C C 54 176.980 175.139 1.841 1
1 3 . 7 1 1 A 2 2 LYS CA C 2 55.606 55.147 0.459 1
1 4 . 7 1 1 A 2 2 LYS HA H 2 4.540 4.669 -0.129 1
1 5 . 7 1 1 A 2 2 LYS CB C 2 32.447 33.969 -1.522 1
1 13 . 7 1 1 A 2 2 LYS C C 2 177.204 175.506 1.698 1
1 14 . 7 1 1 A 3 3 ALA N N 3 126.109 120.788 5.321 1
1 15 . 7 1 1 A 3 3 ALA H H 3 8.553 8.558 -0.005 1
1 16 . 7 1 1 A 3 3 ALA CA C 3 52.218 52.771 -0.553 1
1 17 . 7 1 1 A 3 3 ALA HA H 3 4.342 3.975 0.367 1
1 18 . 7 1 1 A 3 3 ALA CB C 3 19.245 17.576 1.669 1
1 22 . 7 1 1 A 3 3 ALA C C 3 179.308 178.222 1.086 1
1 23 . 7 1 1 A 4 4 THR N N 4 112.465 114.889 -2.424 1
1 24 . 7 1 1 A 4 4 THR H H 4 8.078 8.196 -0.118 1
1 25 . 7 1 1 A 4 4 THR CA C 4 61.583 62.909 -1.326 1
1 26 . 7 1 1 A 4 4 THR HA H 4 4.420 4.366 0.054 1
1 27 . 7 1 1 A 4 4 THR CB C 4 69.460 70.309 -0.849 1
1 33 . 7 1 1 A 4 4 THR C C 4 173.474 175.735 -2.261 1
1 34 . 7 1 1 A 5 5 GLY N N 5 111.771 111.514 0.257 1
1 35 . 7 1 1 A 5 5 GLY H H 5 9.037 8.220 0.817 1
1 36 . 7 1 1 A 5 5 GLY CA C 5 44.687 46.788 -2.101 1
1 37 . 7 1 1 A 5 5 GLY HA3 H 5 4.058 3.931 0.127 1
1 38 . 7 1 1 A 5 5 GLY HA2 H 5 3.623 3.929 -0.306 1
1 39 . 7 1 1 A 5 5 GLY C C 5 174.756 174.572 0.184 1
1 40 . 7 1 1 A 6 6 ILE N N 6 121.234 121.026 0.208 1
1 41 . 7 1 1 A 6 6 ILE H H 6 8.287 7.751 0.536 1
1 42 . 7 1 1 A 6 6 ILE CA C 6 60.578 60.227 0.351 1
1 43 . 7 1 1 A 6 6 ILE HA H 6 4.132 4.568 -0.436 1
1 44 . 7 1 1 A 6 6 ILE CB C 6 38.785 39.718 -0.933 1
1 57 . 7 1 1 A 6 6 ILE C C 6 176.395 174.442 1.953 1
1 58 . 7 1 1 A 7 7 VAL N N 7 126.096 130.723 -4.627 1
1 59 . 7 1 1 A 7 7 VAL H H 7 8.237 8.791 -0.554 1
1 60 . 7 1 1 A 7 7 VAL CA C 7 60.516 62.819 -2.303 1
1 61 . 7 1 1 A 7 7 VAL HA H 7 5.002 4.255 0.747 1
1 62 . 7 1 1 A 7 7 VAL CB C 7 32.807 32.170 0.637 1
1 72 . 7 1 1 A 7 7 VAL C C 7 179.140 175.121 4.019 1
1 73 . 7 1 1 A 8 8 ARG N N 8 127.158 127.717 -0.559 1
1 74 . 7 1 1 A 8 8 ARG H H 8 9.070 8.905 0.165 1
1 75 . 7 1 1 A 8 8 ARG CA C 8 52.551 54.479 -1.928 1
1 76 . 7 1 1 A 8 8 ARG HA H 8 4.805 5.029 -0.224 1
1 77 . 7 1 1 A 8 8 ARG CB C 8 34.444 33.680 0.764 1
1 86 . 7 1 1 A 8 8 ARG C C 8 176.302 174.609 1.693 1
1 87 . 7 1 1 A 9 9 ARG N N 9 118.729 128.165 -9.436 1
1 88 . 7 1 1 A 9 9 ARG H H 9 8.630 8.676 -0.046 1
1 89 . 7 1 1 A 9 9 ARG CA C 9 54.299 55.924 -1.625 1
1 90 . 7 1 1 A 9 9 ARG HA H 9 5.115 4.502 0.613 1
1 91 . 7 1 1 A 9 9 ARG CB C 9 31.277 29.927 1.350 1
1 99 . 7 1 1 A 9 9 ARG C C 9 178.367 176.493 1.874 1
1 100 . 7 1 1 A 10 10 ILE N N 10 122.469 125.852 -3.383 1
1 101 . 7 1 1 A 10 10 ILE H H 10 7.962 8.296 -0.334 1
1 102 . 7 1 1 A 10 10 ILE CA C 10 58.715 64.538 -5.823 1
1 103 . 7 1 1 A 10 10 ILE HA H 10 4.541 4.094 0.447 1
1 104 . 7 1 1 A 10 10 ILE CB C 10 39.300 37.583 1.717 1
1 117 . 7 1 1 A 10 10 ILE C C 10 177.681 175.121 2.560 1
1 118 . 7 1 1 A 11 11 ASP N N 11 127.298 119.906 7.392 1
1 119 . 7 1 1 A 11 11 ASP H H 11 8.557 7.879 0.678 1
1 120 . 7 1 1 A 11 11 ASP CA C 11 52.440 53.332 -0.892 1
1 121 . 7 1 1 A 11 11 ASP HA H 11 4.889 4.743 0.146 1
1 122 . 7 1 1 A 11 11 ASP CB C 11 40.972 41.258 -0.286 1
1 125 . 7 1 1 A 11 11 ASP C C 11 178.929 175.700 3.229 1
1 126 . 7 1 1 A 12 12 ASP N N 12 113.147 118.245 -5.098 1
1 127 . 7 1 1 A 12 12 ASP H H 12 8.506 8.810 -0.304 1
1 128 . 7 1 1 A 12 12 ASP CA C 12 55.100 55.720 -0.620 1
1 129 . 7 1 1 A 12 12 ASP HA H 12 4.054 4.473 -0.419 1
1 130 . 7 1 1 A 12 12 ASP CB C 12 38.734 41.127 -2.393 1
1 133 . 7 1 1 A 12 12 ASP C C 12 178.444 177.368 1.076 1
1 134 . 7 1 1 A 13 13 LEU N N 13 120.798 119.487 1.311 1
1 135 . 7 1 1 A 13 13 LEU H H 13 8.268 8.481 -0.213 1
1 136 . 7 1 1 A 13 13 LEU CA C 13 53.160 56.456 -3.296 1
1 137 . 7 1 1 A 13 13 LEU HA H 13 4.510 4.573 -0.063 1
1 138 . 7 1 1 A 13 13 LEU CB C 13 42.040 44.629 -2.589 1
1 151 . 7 1 1 A 13 13 LEU C C 13 178.487 176.773 1.714 1
1 152 . 7 1 1 A 14 14 GLY N N 14 106.617 107.442 -0.825 1
1 153 . 7 1 1 A 14 14 GLY H H 14 7.978 8.302 -0.324 1
1 154 . 7 1 1 A 14 14 GLY CA C 14 44.441 44.875 -0.434 1
1 155 . 7 1 1 A 14 14 GLY HA3 H 14 3.380 4.049 -0.669 1
1 156 . 7 1 1 A 14 14 GLY HA2 H 14 4.168 4.049 0.119 1
1 157 . 7 1 1 A 14 14 GLY C C 14 174.619 174.469 0.150 1
1 158 . 7 1 1 A 15 15 ARG N N 15 116.828 120.075 -3.247 1
1 159 . 7 1 1 A 15 15 ARG H H 15 8.530 7.204 1.326 1
1 160 . 7 1 1 A 15 15 ARG CA C 15 54.284 56.568 -2.284 1
1 161 . 7 1 1 A 15 15 ARG HA H 15 5.202 4.316 0.886 1
1 162 . 7 1 1 A 15 15 ARG CB C 15 31.579 31.553 0.026 1
1 171 . 7 1 1 A 15 15 ARG C C 15 178.314 175.233 3.081 1
1 172 . 7 1 1 A 16 16 VAL N N 16 119.216 122.146 -2.930 1
1 173 . 7 1 1 A 16 16 VAL H H 16 8.481 8.535 -0.054 1
1 174 . 7 1 1 A 16 16 VAL CA C 16 58.123 61.478 -3.355 1
1 175 . 7 1 1 A 16 16 VAL HA H 16 4.494 4.428 0.066 1
1 176 . 7 1 1 A 16 16 VAL CB C 16 36.071 31.792 4.279 1
1 186 . 7 1 1 A 16 16 VAL C C 16 174.742 175.211 -0.469 1
1 187 . 7 1 1 A 17 17 VAL N N 17 125.420 127.808 -2.388 1
1 188 . 7 1 1 A 17 17 VAL H H 17 7.990 8.578 -0.588 1
1 189 . 7 1 1 A 17 17 VAL CA C 17 61.551 63.150 -1.599 1
1 190 . 7 1 1 A 17 17 VAL HA H 17 3.882 4.166 -0.284 1
1 191 . 7 1 1 A 17 17 VAL CB C 17 32.136 31.141 0.995 1
1 201 . 7 1 1 A 17 17 VAL C C 17 176.487 175.687 0.800 1
1 202 . 7 1 1 A 18 18 ILE N N 18 125.876 128.894 -3.018 1
1 203 . 7 1 1 A 18 18 ILE H H 18 8.527 8.735 -0.208 1
1 204 . 7 1 1 A 18 18 ILE CA C 18 56.210 58.076 -1.866 1
1 205 . 7 1 1 A 18 18 ILE HA H 18 4.332 4.643 -0.311 1
1 206 . 7 1 1 A 18 18 ILE CB C 18 35.827 38.476 -2.649 1
1 219 . 7 1 1 A 18 18 ILE C C 18 176.060 174.463 1.597 1
1 220 . 7 1 1 A 19 19 PRO CA C 19 62.944 63.104 -0.160 1
1 221 . 7 1 1 A 19 19 PRO HA H 19 4.549 4.535 0.014 1
1 222 . 7 1 1 A 19 19 PRO CB C 19 32.802 32.686 0.116 1
1 231 . 7 1 1 A 19 19 PRO C C 19 178.970 177.444 1.526 1
1 232 . 7 1 1 A 20 20 LYS N N 20 126.618 121.871 4.747 1
1 233 . 7 1 1 A 20 20 LYS H H 20 9.014 8.484 0.530 1
1 234 . 7 1 1 A 20 20 LYS CA C 20 59.765 58.665 1.100 1
1 235 . 7 1 1 A 20 20 LYS HA H 20 3.756 4.008 -0.252 1
1 236 . 7 1 1 A 20 20 LYS CB C 20 31.684 31.952 -0.268 1
1 247 . 7 1 1 A 20 20 LYS C C 20 179.313 177.702 1.611 1
1 248 . 7 1 1 A 21 21 GLU N N 21 117.455 120.687 -3.232 1
1 249 . 7 1 1 A 21 21 GLU H H 21 9.856 9.012 0.844 1
1 250 . 7 1 1 A 21 21 GLU CA C 21 59.771 58.820 0.951 1
1 251 . 7 1 1 A 21 21 GLU HA H 21 4.110 4.122 -0.012 1
1 252 . 7 1 1 A 21 21 GLU CB C 21 28.626 27.940 0.686 1
1 257 . 7 1 1 A 21 21 GLU C C 21 180.774 178.570 2.204 1
1 258 . 7 1 1 A 22 22 ILE N N 22 118.288 120.634 -2.346 1
1 259 . 7 1 1 A 22 22 ILE H H 22 7.074 7.459 -0.385 1
1 260 . 7 1 1 A 22 22 ILE CA C 22 63.046 64.382 -1.336 1
1 261 . 7 1 1 A 22 22 ILE HA H 22 3.849 3.882 -0.033 1
1 262 . 7 1 1 A 22 22 ILE CB C 22 36.466 37.976 -1.510 1
1 275 . 7 1 1 A 22 22 ILE C C 22 179.924 177.795 2.129 1
1 276 . 7 1 1 A 23 23 ARG N N 23 117.382 121.161 -3.779 1
1 277 . 7 1 1 A 23 23 ARG H H 23 7.830 8.313 -0.483 1
1 278 . 7 1 1 A 23 23 ARG CA C 23 60.379 59.390 0.989 1
1 279 . 7 1 1 A 23 23 ARG HA H 23 3.764 3.899 -0.135 1
1 280 . 7 1 1 A 23 23 ARG CB C 23 28.923 29.961 -1.038 1
1 288 . 7 1 1 A 23 23 ARG C C 23 180.110 178.288 1.822 1
1 289 . 7 1 1 A 24 24 ARG N N 24 115.785 120.219 -4.434 1
1 290 . 7 1 1 A 24 24 ARG H H 24 8.431 8.267 0.164 1
1 291 . 7 1 1 A 24 24 ARG CA C 24 58.531 59.144 -0.613 1
1 292 . 7 1 1 A 24 24 ARG HA H 24 4.183 4.027 0.156 1
1 293 . 7 1 1 A 24 24 ARG CB C 24 29.763 29.857 -0.094 1
1 301 . 7 1 1 A 24 24 ARG C C 24 181.515 179.090 2.425 1
1 302 . 7 1 1 A 25 25 THR N N 25 115.618 116.030 -0.412 1
1 303 . 7 1 1 A 25 25 THR H H 25 7.733 7.942 -0.209 1
1 304 . 7 1 1 A 25 25 THR CA C 25 65.778 66.421 -0.643 1
1 305 . 7 1 1 A 25 25 THR HA H 25 3.994 4.021 -0.027 1
1 306 . 7 1 1 A 25 25 THR CB C 25 68.590 68.111 0.479 1
1 312 . 7 1 1 A 25 25 THR C C 25 177.350 176.960 0.390 1
1 313 . 7 1 1 A 26 26 LEU N N 26 117.244 120.721 -3.477 1
1 314 . 7 1 1 A 26 26 LEU H H 26 7.796 7.893 -0.097 1
1 315 . 7 1 1 A 26 26 LEU CA C 26 54.352 55.845 -1.493 1
1 316 . 7 1 1 A 26 26 LEU HA H 26 4.368 4.173 0.195 1
1 317 . 7 1 1 A 26 26 LEU CB C 26 42.330 42.089 0.241 1
1 329 . 7 1 1 A 26 26 LEU C C 26 177.163 176.383 0.780 1
1 330 . 7 1 1 A 27 27 ARG N N 27 116.574 115.778 0.796 1
1 331 . 7 1 1 A 27 27 ARG H H 27 7.720 7.795 -0.075 1
1 332 . 7 1 1 A 27 27 ARG CA C 27 56.737 57.515 -0.778 1
1 333 . 7 1 1 A 27 27 ARG HA H 27 3.872 3.905 -0.033 1
1 334 . 7 1 1 A 27 27 ARG CB C 27 25.656 27.232 -1.576 1
1 340 . 7 1 1 A 27 27 ARG C C 27 176.893 174.964 1.929 1
1 341 . 7 1 1 A 28 28 ILE N N 28 116.788 118.711 -1.923 1
1 342 . 7 1 1 A 28 28 ILE H H 28 8.332 7.561 0.771 1
1 343 . 7 1 1 A 28 28 ILE CA C 28 60.527 59.953 0.574 1
1 344 . 7 1 1 A 28 28 ILE HA H 28 4.465 4.725 -0.260 1
1 345 . 7 1 1 A 28 28 ILE CB C 28 39.882 39.985 -0.103 1
1 356 . 7 1 1 A 28 28 ILE C C 28 176.976 174.648 2.328 1
1 357 . 7 1 1 A 29 29 ARG N N 29 128.150 120.645 7.505 1
1 358 . 7 1 1 A 29 29 ARG H H 29 9.187 8.833 0.354 1
1 359 . 7 1 1 A 29 29 ARG CA C 29 53.925 54.920 -0.995 1
1 360 . 7 1 1 A 29 29 ARG HA H 29 4.472 4.741 -0.269 1
1 361 . 7 1 1 A 29 29 ARG CB C 29 31.701 30.296 1.405 1
1 369 . 7 1 1 A 29 29 ARG C C 29 176.397 175.668 0.729 1
1 370 . 7 1 1 A 30 30 GLU N N 30 119.127 116.634 2.493 1
1 371 . 7 1 1 A 30 30 GLU H H 30 8.813 8.393 0.420 1
1 372 . 7 1 1 A 30 30 GLU CA C 30 58.715 56.515 2.200 1
1 373 . 7 1 1 A 30 30 GLU HA H 30 3.642 4.426 -0.784 1
1 374 . 7 1 1 A 30 30 GLU CB C 30 27.910 28.381 -0.471 1
1 379 . 7 1 1 A 30 30 GLU C C 30 178.085 176.462 1.623 1
1 380 . 7 1 1 A 31 31 GLY N N 31 113.446 108.146 5.300 1
1 381 . 7 1 1 A 31 31 GLY H H 31 8.365 8.246 0.119 1
1 382 . 7 1 1 A 31 31 GLY CA C 31 44.684 45.714 -1.030 1
1 383 . 7 1 1 A 31 31 GLY HA3 H 31 4.401 4.133 0.268 1
1 384 . 7 1 1 A 31 31 GLY HA2 H 31 3.749 4.132 -0.383 1
1 385 . 7 1 1 A 31 31 GLY C C 31 175.765 173.404 2.361 1
1 386 . 7 1 1 A 32 32 ASP N N 32 121.874 122.040 -0.166 1
1 387 . 7 1 1 A 32 32 ASP H H 32 8.288 7.618 0.670 1
1 388 . 7 1 1 A 32 32 ASP CA C 32 52.900 51.005 1.895 1
1 389 . 7 1 1 A 32 32 ASP HA H 32 4.973 5.035 -0.062 1
1 390 . 7 1 1 A 32 32 ASP CB C 32 39.908 42.207 -2.299 1
1 393 . 7 1 1 A 32 32 ASP C C 32 176.423 174.722 1.701 1
1 394 . 7 1 1 A 33 33 PRO CA C 33 61.096 62.458 -1.362 1
1 395 . 7 1 1 A 33 33 PRO HA H 33 4.774 4.751 0.023 1
1 396 . 7 1 1 A 33 33 PRO CB C 33 31.074 29.248 1.826 1
1 405 . 7 1 1 A 33 33 PRO C C 33 177.497 176.476 1.021 1
1 406 . 7 1 1 A 34 34 LEU N N 34 123.101 123.857 -0.756 1
1 407 . 7 1 1 A 34 34 LEU H H 34 9.067 7.357 1.710 1
1 408 . 7 1 1 A 34 34 LEU CA C 34 52.842 55.316 -2.474 1
1 409 . 7 1 1 A 34 34 LEU HA H 34 5.052 4.945 0.107 1
1 410 . 7 1 1 A 34 34 LEU CB C 34 44.012 42.941 1.071 1
1 419 . 7 1 1 A 34 34 LEU C C 34 176.051 176.507 -0.456 1
1 420 . 7 1 1 A 35 35 GLU N N 35 122.921 122.673 0.248 1
1 421 . 7 1 1 A 35 35 GLU H H 35 9.535 8.776 0.759 1
1 422 . 7 1 1 A 35 35 GLU CA C 35 54.656 54.862 -0.206 1
1 423 . 7 1 1 A 35 35 GLU HA H 35 4.218 4.944 -0.726 1
1 424 . 7 1 1 A 35 35 GLU CB C 35 32.760 31.291 1.469 1
1 430 . 7 1 1 A 35 35 GLU C C 35 177.010 175.107 1.903 1
1 431 . 7 1 1 A 36 36 ILE N N 36 122.970 128.860 -5.890 1
1 432 . 7 1 1 A 36 36 ILE H H 36 8.514 8.663 -0.149 1
1 433 . 7 1 1 A 36 36 ILE CA C 36 60.838 60.583 0.255 1
1 434 . 7 1 1 A 36 36 ILE HA H 36 4.184 4.526 -0.342 1
1 435 . 7 1 1 A 36 36 ILE CB C 36 38.529 36.769 1.760 1
1 448 . 7 1 1 A 36 36 ILE C C 36 177.618 175.238 2.380 1
1 449 . 7 1 1 A 37 37 PHE N N 37 125.834 123.680 2.154 1
1 450 . 7 1 1 A 37 37 PHE H H 37 9.392 9.137 0.255 1
1 451 . 7 1 1 A 37 37 PHE CA C 37 55.662 55.757 -0.095 1
1 452 . 7 1 1 A 37 37 PHE HA H 37 5.087 5.334 -0.247 1
1 453 . 7 1 1 A 37 37 PHE CB C 37 42.260 41.850 0.410 1
1 456 . 7 1 1 A 37 37 PHE C C 37 175.006 172.696 2.310 1
1 457 . 7 1 1 A 38 38 VAL N N 38 116.642 124.511 -7.869 1
1 458 . 7 1 1 A 38 38 VAL H H 38 8.519 8.899 -0.380 1
1 459 . 7 1 1 A 38 38 VAL CA C 38 60.289 61.685 -1.396 1
1 460 . 7 1 1 A 38 38 VAL HA H 38 5.154 4.305 0.849 1
1 461 . 7 1 1 A 38 38 VAL CB C 38 34.258 32.487 1.771 1
1 471 . 7 1 1 A 38 38 VAL C C 38 177.654 175.748 1.906 1
1 472 . 7 1 1 A 39 39 ASP N N 39 124.423 128.201 -3.778 1
1 473 . 7 1 1 A 39 39 ASP H H 39 8.720 8.928 -0.208 1
1 474 . 7 1 1 A 39 39 ASP CA C 39 51.372 56.173 -4.801 1
1 475 . 7 1 1 A 39 39 ASP HA H 39 5.014 4.656 0.358 1
1 476 . 7 1 1 A 39 39 ASP CB C 39 42.446 41.903 0.543 1
1 479 . 7 1 1 A 39 39 ASP C C 39 178.788 177.055 1.733 1
1 480 . 7 1 1 A 40 40 ARG N N 40 117.971 116.494 1.477 1
1 481 . 7 1 1 A 40 40 ARG H H 40 8.601 8.091 0.510 1
1 482 . 7 1 1 A 40 40 ARG CA C 40 57.264 56.916 0.348 1
1 483 . 7 1 1 A 40 40 ARG HA H 40 4.174 4.558 -0.384 1
1 484 . 7 1 1 A 40 40 ARG CB C 40 29.007 32.350 -3.343 1
1 491 . 7 1 1 A 40 40 ARG C C 40 177.916 176.548 1.368 1
1 492 . 7 1 1 A 41 41 ASP N N 41 117.798 117.975 -0.177 1
1 493 . 7 1 1 A 41 41 ASP H H 41 8.138 8.406 -0.268 1
1 494 . 7 1 1 A 41 41 ASP CA C 41 53.578 55.873 -2.295 1
1 495 . 7 1 1 A 41 41 ASP HA H 41 4.723 4.954 -0.231 1
1 496 . 7 1 1 A 41 41 ASP CB C 41 39.947 43.025 -3.078 1
1 499 . 7 1 1 A 41 41 ASP C C 41 178.048 177.356 0.692 1
1 500 . 7 1 1 A 42 42 GLY N N 42 106.809 106.167 0.642 1
1 501 . 7 1 1 A 42 42 GLY H H 42 8.125 7.893 0.232 1
1 502 . 7 1 1 A 42 42 GLY CA C 42 46.017 45.331 0.686 1
1 503 . 7 1 1 A 42 42 GLY HA3 H 42 4.156 4.020 0.136 1
1 504 . 7 1 1 A 42 42 GLY HA2 H 42 3.647 4.018 -0.371 1
1 505 . 7 1 1 A 42 42 GLY C C 42 174.932 173.531 1.401 1
1 506 . 7 1 1 A 43 43 GLU N N 43 116.783 119.730 -2.947 1
1 507 . 7 1 1 A 43 43 GLU H H 43 7.909 7.662 0.247 1
1 508 . 7 1 1 A 43 43 GLU CA C 43 53.603 55.553 -1.950 1
1 509 . 7 1 1 A 43 43 GLU HA H 43 4.741 4.471 0.270 1
1 510 . 7 1 1 A 43 43 GLU CB C 43 29.813 29.803 0.010 1
1 516 . 7 1 1 A 43 43 GLU C C 43 176.455 175.177 1.278 1
1 517 . 7 1 1 A 44 44 VAL N N 44 120.785 126.046 -5.261 1
1 518 . 7 1 1 A 44 44 VAL H H 44 8.635 8.557 0.078 1
1 519 . 7 1 1 A 44 44 VAL CA C 44 61.231 62.242 -1.011 1
1 520 . 7 1 1 A 44 44 VAL HA H 44 4.503 4.409 0.094 1
1 521 . 7 1 1 A 44 44 VAL CB C 44 32.334 32.398 -0.064 1
1 531 . 7 1 1 A 44 44 VAL C C 44 175.366 175.384 -0.018 1
1 532 . 7 1 1 A 45 45 ILE N N 45 126.640 128.679 -2.039 1
1 533 . 7 1 1 A 45 45 ILE H H 45 8.972 9.334 -0.362 1
1 534 . 7 1 1 A 45 45 ILE CA C 45 59.456 59.806 -0.350 1
1 535 . 7 1 1 A 45 45 ILE HA H 45 4.889 4.725 0.164 1
1 536 . 7 1 1 A 45 45 ILE CB C 45 38.628 38.593 0.035 1
1 549 . 7 1 1 A 45 45 ILE C C 45 176.485 174.765 1.720 1
1 550 . 7 1 1 A 46 46 LEU N N 46 123.557 128.234 -4.677 1
1 551 . 7 1 1 A 46 46 LEU H H 46 9.340 9.109 0.231 1
1 552 . 7 1 1 A 46 46 LEU CA C 46 52.946 53.282 -0.336 1
1 553 . 7 1 1 A 46 46 LEU HA H 46 5.384 6.177 -0.793 1
1 554 . 7 1 1 A 46 46 LEU CB C 46 42.721 42.672 0.049 1
1 564 . 7 1 1 A 46 46 LEU C C 46 177.393 175.928 1.465 1
1 565 . 7 1 1 A 47 47 LYS N N 47 119.462 123.923 -4.461 1
1 566 . 7 1 1 A 47 47 LYS H H 47 8.909 8.547 0.362 1
1 567 . 7 1 1 A 47 47 LYS CA C 47 53.220 54.495 -1.275 1
1 568 . 7 1 1 A 47 47 LYS HA H 47 4.959 4.873 0.086 1
1 569 . 7 1 1 A 47 47 LYS CB C 47 35.877 35.959 -0.082 1
1 578 . 7 1 1 A 48 48 LYS CA C 48 58.654 58.604 0.050 1
1 579 . 7 1 1 A 48 48 LYS HA H 48 4.251 4.355 -0.104 1
1 580 . 7 1 1 A 48 48 LYS CB C 48 31.479 32.029 -0.550 1
1 591 . 7 1 1 A 48 48 LYS C C 48 178.183 176.989 1.194 1
1 592 . 7 1 1 A 49 49 TYR N N 49 125.460 120.332 5.128 1
1 593 . 7 1 1 A 49 49 TYR H H 49 8.189 8.108 0.081 1
1 594 . 7 1 1 A 49 49 TYR CA C 49 57.281 59.592 -2.311 1
1 595 . 7 1 1 A 49 49 TYR HA H 49 4.762 4.590 0.172 1
1 596 . 7 1 1 A 49 49 TYR CB C 49 38.697 38.169 0.528 1
1 599 . 7 1 1 A 49 49 TYR C C 49 176.094 176.940 -0.846 1
1 600 . 7 1 1 A 50 50 SER N N 50 122.040 115.805 6.235 1
1 601 . 7 1 1 A 50 50 SER H H 50 8.045 9.097 -1.052 1
1 602 . 7 1 1 A 50 50 SER CA C 50 54.280 63.148 -8.868 1
1 603 . 7 1 1 A 50 50 SER HA H 50 4.635 3.746 0.889 1
1 604 . 7 1 1 A 50 50 SER CB C 50 62.402 61.999 0.403 1
1 607 . 7 1 1 A 51 51 PRO CA C 51 62.488 63.655 -1.167 1
1 608 . 7 1 1 A 51 51 PRO HA H 51 4.298 4.440 -0.142 1
1 609 . 7 1 1 A 51 51 PRO CB C 51 31.121 32.663 -1.542 1
1 616 . 7 1 1 A 51 51 PRO C C 51 178.546 177.261 1.285 1
1 617 . 7 1 1 A 52 52 ILE N N 52 118.973 118.326 0.647 1
1 618 . 7 1 1 A 52 52 ILE H H 52 7.963 8.390 -0.427 1
1 619 . 7 1 1 A 52 52 ILE CA C 52 60.234 63.426 -3.192 1
1 620 . 7 1 1 A 52 52 ILE HA H 52 4.198 3.875 0.323 1
1 621 . 7 1 1 A 52 52 ILE CB C 52 37.863 36.615 1.248 1
1 634 . 7 1 1 A 52 52 ILE C C 52 177.929 177.139 0.790 1
1 635 . 7 1 1 A 53 53 SER N N 53 118.194 122.880 -4.686 1
1 636 . 7 1 1 A 53 53 SER H H 53 8.203 8.632 -0.429 1
1 637 . 7 1 1 A 53 53 SER CA C 53 57.318 59.895 -2.577 1
1 638 . 7 1 1 A 53 53 SER HA H 53 4.480 4.539 -0.059 1
1 639 . 7 1 1 A 53 53 SER CB C 53 63.124 63.626 -0.502 1
1 641 . 7 1 1 A 53 53 SER C C 53 175.932 174.221 1.711 1
1 642 . 7 1 1 A 54 54 GLU N N 54 122.542 118.403 4.139 1
1 643 . 7 1 1 A 54 54 GLU H H 54 8.347 7.621 0.726 1
1 644 . 7 1 1 A 54 54 GLU CA C 54 55.560 57.715 -2.155 1
1 645 . 7 1 1 A 54 54 GLU HA H 54 4.387 4.543 -0.156 1
1 646 . 7 1 1 A 54 54 GLU CB C 54 29.438 32.010 -2.572 1
1 651 . 7 1 1 A 54 54 GLU C C 54 176.980 175.397 1.583 1
1 3 . 8 1 1 A 2 2 LYS CA C 2 55.606 58.257 -2.651 1
1 4 . 8 1 1 A 2 2 LYS HA H 2 4.540 3.995 0.545 1
1 5 . 8 1 1 A 2 2 LYS CB C 2 32.447 31.184 1.263 1
1 13 . 8 1 1 A 2 2 LYS C C 2 177.204 176.239 0.965 1
1 14 . 8 1 1 A 3 3 ALA N N 3 126.109 123.100 3.009 1
1 15 . 8 1 1 A 3 3 ALA H H 3 8.553 8.405 0.148 1
1 16 . 8 1 1 A 3 3 ALA CA C 3 52.218 52.762 -0.544 1
1 17 . 8 1 1 A 3 3 ALA HA H 3 4.342 3.998 0.344 1
1 18 . 8 1 1 A 3 3 ALA CB C 3 19.245 17.442 1.803 1
1 22 . 8 1 1 A 3 3 ALA C C 3 179.308 178.140 1.168 1
1 23 . 8 1 1 A 4 4 THR N N 4 112.465 113.658 -1.193 1
1 24 . 8 1 1 A 4 4 THR H H 4 8.078 8.147 -0.069 1
1 25 . 8 1 1 A 4 4 THR CA C 4 61.583 63.159 -1.576 1
1 26 . 8 1 1 A 4 4 THR HA H 4 4.420 4.293 0.127 1
1 27 . 8 1 1 A 4 4 THR CB C 4 69.460 70.228 -0.768 1
1 33 . 8 1 1 A 4 4 THR C C 4 173.474 175.780 -2.306 1
1 34 . 8 1 1 A 5 5 GLY N N 5 111.771 111.777 -0.006 1
1 35 . 8 1 1 A 5 5 GLY H H 5 9.037 8.137 0.900 1
1 36 . 8 1 1 A 5 5 GLY CA C 5 44.687 46.912 -2.225 1
1 37 . 8 1 1 A 5 5 GLY HA3 H 5 4.058 3.908 0.150 1
1 38 . 8 1 1 A 5 5 GLY HA2 H 5 3.623 3.906 -0.283 1
1 39 . 8 1 1 A 5 5 GLY C C 5 174.756 174.576 0.180 1
1 40 . 8 1 1 A 6 6 ILE N N 6 121.234 121.025 0.209 1
1 41 . 8 1 1 A 6 6 ILE H H 6 8.287 7.761 0.526 1
1 42 . 8 1 1 A 6 6 ILE CA C 6 60.578 60.216 0.362 1
1 43 . 8 1 1 A 6 6 ILE HA H 6 4.132 4.505 -0.373 1
1 44 . 8 1 1 A 6 6 ILE CB C 6 38.785 39.470 -0.685 1
1 57 . 8 1 1 A 6 6 ILE C C 6 176.395 174.532 1.863 1
1 58 . 8 1 1 A 7 7 VAL N N 7 126.096 130.568 -4.472 1
1 59 . 8 1 1 A 7 7 VAL H H 7 8.237 8.774 -0.537 1
1 60 . 8 1 1 A 7 7 VAL CA C 7 60.516 62.950 -2.434 1
1 61 . 8 1 1 A 7 7 VAL HA H 7 5.002 4.241 0.761 1
1 62 . 8 1 1 A 7 7 VAL CB C 7 32.807 32.120 0.687 1
1 72 . 8 1 1 A 7 7 VAL C C 7 179.140 175.141 3.999 1
1 73 . 8 1 1 A 8 8 ARG N N 8 127.158 127.794 -0.636 1
1 74 . 8 1 1 A 8 8 ARG H H 8 9.070 8.878 0.192 1
1 75 . 8 1 1 A 8 8 ARG CA C 8 52.551 54.479 -1.928 1
1 76 . 8 1 1 A 8 8 ARG HA H 8 4.805 5.008 -0.203 1
1 77 . 8 1 1 A 8 8 ARG CB C 8 34.444 33.770 0.674 1
1 86 . 8 1 1 A 8 8 ARG C C 8 176.302 174.730 1.572 1
1 87 . 8 1 1 A 9 9 ARG N N 9 118.729 128.079 -9.350 1
1 88 . 8 1 1 A 9 9 ARG H H 9 8.630 8.577 0.053 1
1 89 . 8 1 1 A 9 9 ARG CA C 9 54.299 56.088 -1.789 1
1 90 . 8 1 1 A 9 9 ARG HA H 9 5.115 4.526 0.589 1
1 91 . 8 1 1 A 9 9 ARG CB C 9 31.277 29.822 1.455 1
1 99 . 8 1 1 A 9 9 ARG C C 9 178.367 176.597 1.770 1
1 100 . 8 1 1 A 10 10 ILE N N 10 122.469 125.610 -3.141 1
1 101 . 8 1 1 A 10 10 ILE H H 10 7.962 8.319 -0.357 1
1 102 . 8 1 1 A 10 10 ILE CA C 10 58.715 64.414 -5.699 1
1 103 . 8 1 1 A 10 10 ILE HA H 10 4.541 4.055 0.486 1
1 104 . 8 1 1 A 10 10 ILE CB C 10 39.300 37.580 1.720 1
1 117 . 8 1 1 A 10 10 ILE C C 10 177.681 175.313 2.368 1
1 118 . 8 1 1 A 11 11 ASP N N 11 127.298 120.277 7.021 1
1 119 . 8 1 1 A 11 11 ASP H H 11 8.557 7.881 0.676 1
1 120 . 8 1 1 A 11 11 ASP CA C 11 52.440 53.307 -0.867 1
1 121 . 8 1 1 A 11 11 ASP HA H 11 4.889 4.761 0.128 1
1 122 . 8 1 1 A 11 11 ASP CB C 11 40.972 41.484 -0.512 1
1 125 . 8 1 1 A 11 11 ASP C C 11 178.929 175.251 3.678 1
1 126 . 8 1 1 A 12 12 ASP N N 12 113.147 117.355 -4.208 1
1 127 . 8 1 1 A 12 12 ASP H H 12 8.506 8.881 -0.375 1
1 128 . 8 1 1 A 12 12 ASP CA C 12 55.100 56.035 -0.935 1
1 129 . 8 1 1 A 12 12 ASP HA H 12 4.054 4.625 -0.571 1
1 130 . 8 1 1 A 12 12 ASP CB C 12 38.734 40.381 -1.647 1
1 133 . 8 1 1 A 12 12 ASP C C 12 178.444 176.628 1.816 1
1 134 . 8 1 1 A 13 13 LEU N N 13 120.798 119.669 1.129 1
1 135 . 8 1 1 A 13 13 LEU H H 13 8.268 8.022 0.246 1
1 136 . 8 1 1 A 13 13 LEU CA C 13 53.160 56.501 -3.341 1
1 137 . 8 1 1 A 13 13 LEU HA H 13 4.510 4.521 -0.011 1
1 138 . 8 1 1 A 13 13 LEU CB C 13 42.040 44.602 -2.562 1
1 151 . 8 1 1 A 13 13 LEU C C 13 178.487 176.758 1.729 1
1 152 . 8 1 1 A 14 14 GLY N N 14 106.617 107.484 -0.867 1
1 153 . 8 1 1 A 14 14 GLY H H 14 7.978 8.330 -0.352 1
1 154 . 8 1 1 A 14 14 GLY CA C 14 44.441 44.914 -0.473 1
1 155 . 8 1 1 A 14 14 GLY HA3 H 14 3.380 4.047 -0.667 1
1 156 . 8 1 1 A 14 14 GLY HA2 H 14 4.168 4.047 0.121 1
1 157 . 8 1 1 A 14 14 GLY C C 14 174.619 174.397 0.222 1
1 158 . 8 1 1 A 15 15 ARG N N 15 116.828 120.290 -3.462 1
1 159 . 8 1 1 A 15 15 ARG H H 15 8.530 7.725 0.805 1
1 160 . 8 1 1 A 15 15 ARG CA C 15 54.284 56.287 -2.003 1
1 161 . 8 1 1 A 15 15 ARG HA H 15 5.202 4.343 0.859 1
1 162 . 8 1 1 A 15 15 ARG CB C 15 31.579 31.509 0.070 1
1 171 . 8 1 1 A 15 15 ARG C C 15 178.314 175.025 3.289 1
1 172 . 8 1 1 A 16 16 VAL N N 16 119.216 121.932 -2.716 1
1 173 . 8 1 1 A 16 16 VAL H H 16 8.481 8.571 -0.090 1
1 174 . 8 1 1 A 16 16 VAL CA C 16 58.123 60.741 -2.618 1
1 175 . 8 1 1 A 16 16 VAL HA H 16 4.494 4.825 -0.331 1
1 176 . 8 1 1 A 16 16 VAL CB C 16 36.071 34.006 2.065 1
1 186 . 8 1 1 A 16 16 VAL C C 16 174.742 174.591 0.151 1
1 187 . 8 1 1 A 17 17 VAL N N 17 125.420 129.827 -4.407 1
1 188 . 8 1 1 A 17 17 VAL H H 17 7.990 8.886 -0.896 1
1 189 . 8 1 1 A 17 17 VAL CA C 17 61.551 63.165 -1.614 1
1 190 . 8 1 1 A 17 17 VAL HA H 17 3.882 4.139 -0.257 1
1 191 . 8 1 1 A 17 17 VAL CB C 17 32.136 31.051 1.085 1
1 201 . 8 1 1 A 17 17 VAL C C 17 176.487 175.549 0.938 1
1 202 . 8 1 1 A 18 18 ILE N N 18 125.876 128.862 -2.986 1
1 203 . 8 1 1 A 18 18 ILE H H 18 8.527 8.304 0.223 1
1 204 . 8 1 1 A 18 18 ILE CA C 18 56.210 58.369 -2.159 1
1 205 . 8 1 1 A 18 18 ILE HA H 18 4.332 4.551 -0.219 1
1 206 . 8 1 1 A 18 18 ILE CB C 18 35.827 38.348 -2.521 1
1 219 . 8 1 1 A 18 18 ILE C C 18 176.060 174.542 1.518 1
1 220 . 8 1 1 A 19 19 PRO CA C 19 62.944 63.067 -0.123 1
1 221 . 8 1 1 A 19 19 PRO HA H 19 4.549 4.521 0.028 1
1 222 . 8 1 1 A 19 19 PRO CB C 19 32.802 32.765 0.037 1
1 231 . 8 1 1 A 19 19 PRO C C 19 178.970 177.459 1.511 1
1 232 . 8 1 1 A 20 20 LYS N N 20 126.618 121.836 4.782 1
1 233 . 8 1 1 A 20 20 LYS H H 20 9.014 8.481 0.533 1
1 234 . 8 1 1 A 20 20 LYS CA C 20 59.765 58.651 1.114 1
1 235 . 8 1 1 A 20 20 LYS HA H 20 3.756 4.008 -0.252 1
1 236 . 8 1 1 A 20 20 LYS CB C 20 31.684 31.958 -0.274 1
1 247 . 8 1 1 A 20 20 LYS C C 20 179.313 177.840 1.473 1
1 248 . 8 1 1 A 21 21 GLU N N 21 117.455 120.686 -3.231 1
1 249 . 8 1 1 A 21 21 GLU H H 21 9.856 8.982 0.874 1
1 250 . 8 1 1 A 21 21 GLU CA C 21 59.771 58.722 1.049 1
1 251 . 8 1 1 A 21 21 GLU HA H 21 4.110 4.124 -0.014 1
1 252 . 8 1 1 A 21 21 GLU CB C 21 28.626 27.877 0.749 1
1 257 . 8 1 1 A 21 21 GLU C C 21 180.774 178.544 2.230 1
1 258 . 8 1 1 A 22 22 ILE N N 22 118.288 120.791 -2.503 1
1 259 . 8 1 1 A 22 22 ILE H H 22 7.074 7.457 -0.383 1
1 260 . 8 1 1 A 22 22 ILE CA C 22 63.046 64.293 -1.247 1
1 261 . 8 1 1 A 22 22 ILE HA H 22 3.849 3.955 -0.106 1
1 262 . 8 1 1 A 22 22 ILE CB C 22 36.466 37.916 -1.450 1
1 275 . 8 1 1 A 22 22 ILE C C 22 179.924 177.746 2.178 1
1 276 . 8 1 1 A 23 23 ARG N N 23 117.382 121.109 -3.727 1
1 277 . 8 1 1 A 23 23 ARG H H 23 7.830 8.172 -0.342 1
1 278 . 8 1 1 A 23 23 ARG CA C 23 60.379 59.234 1.145 1
1 279 . 8 1 1 A 23 23 ARG HA H 23 3.764 3.884 -0.120 1
1 280 . 8 1 1 A 23 23 ARG CB C 23 28.923 29.855 -0.932 1
1 288 . 8 1 1 A 23 23 ARG C C 23 180.110 178.314 1.796 1
1 289 . 8 1 1 A 24 24 ARG N N 24 115.785 119.977 -4.192 1
1 290 . 8 1 1 A 24 24 ARG H H 24 8.431 8.266 0.165 1
1 291 . 8 1 1 A 24 24 ARG CA C 24 58.531 59.185 -0.654 1
1 292 . 8 1 1 A 24 24 ARG HA H 24 4.183 4.041 0.142 1
1 293 . 8 1 1 A 24 24 ARG CB C 24 29.763 29.705 0.058 1
1 301 . 8 1 1 A 24 24 ARG C C 24 181.515 179.085 2.430 1
1 302 . 8 1 1 A 25 25 THR N N 25 115.618 115.712 -0.094 1
1 303 . 8 1 1 A 25 25 THR H H 25 7.733 7.949 -0.216 1
1 304 . 8 1 1 A 25 25 THR CA C 25 65.778 65.929 -0.151 1
1 305 . 8 1 1 A 25 25 THR HA H 25 3.994 4.081 -0.087 1
1 306 . 8 1 1 A 25 25 THR CB C 25 68.590 68.369 0.221 1
1 312 . 8 1 1 A 25 25 THR C C 25 177.350 176.772 0.578 1
1 313 . 8 1 1 A 26 26 LEU N N 26 117.244 119.761 -2.517 1
1 314 . 8 1 1 A 26 26 LEU H H 26 7.796 7.725 0.071 1
1 315 . 8 1 1 A 26 26 LEU CA C 26 54.352 55.382 -1.030 1
1 316 . 8 1 1 A 26 26 LEU HA H 26 4.368 4.203 0.165 1
1 317 . 8 1 1 A 26 26 LEU CB C 26 42.330 41.538 0.792 1
1 329 . 8 1 1 A 26 26 LEU C C 26 177.163 176.292 0.871 1
1 330 . 8 1 1 A 27 27 ARG N N 27 116.574 116.445 0.129 1
1 331 . 8 1 1 A 27 27 ARG H H 27 7.720 7.833 -0.113 1
1 332 . 8 1 1 A 27 27 ARG CA C 27 56.737 57.413 -0.676 1
1 333 . 8 1 1 A 27 27 ARG HA H 27 3.872 3.879 -0.007 1
1 334 . 8 1 1 A 27 27 ARG CB C 27 25.656 26.832 -1.176 1
1 340 . 8 1 1 A 27 27 ARG C C 27 176.893 174.921 1.972 1
1 341 . 8 1 1 A 28 28 ILE N N 28 116.788 117.896 -1.108 1
1 342 . 8 1 1 A 28 28 ILE H H 28 8.332 7.597 0.735 1
1 343 . 8 1 1 A 28 28 ILE CA C 28 60.527 59.873 0.654 1
1 344 . 8 1 1 A 28 28 ILE HA H 28 4.465 4.801 -0.336 1
1 345 . 8 1 1 A 28 28 ILE CB C 28 39.882 40.227 -0.345 1
1 356 . 8 1 1 A 28 28 ILE C C 28 176.976 174.605 2.371 1
1 357 . 8 1 1 A 29 29 ARG N N 29 128.150 120.671 7.479 1
1 358 . 8 1 1 A 29 29 ARG H H 29 9.187 8.899 0.288 1
1 359 . 8 1 1 A 29 29 ARG CA C 29 53.925 54.906 -0.981 1
1 360 . 8 1 1 A 29 29 ARG HA H 29 4.472 4.715 -0.243 1
1 361 . 8 1 1 A 29 29 ARG CB C 29 31.701 30.382 1.319 1
1 369 . 8 1 1 A 29 29 ARG C C 29 176.397 175.614 0.783 1
1 370 . 8 1 1 A 30 30 GLU N N 30 119.127 116.607 2.520 1
1 371 . 8 1 1 A 30 30 GLU H H 30 8.813 8.379 0.434 1
1 372 . 8 1 1 A 30 30 GLU CA C 30 58.715 56.511 2.204 1
1 373 . 8 1 1 A 30 30 GLU HA H 30 3.642 4.418 -0.776 1
1 374 . 8 1 1 A 30 30 GLU CB C 30 27.910 28.678 -0.768 1
1 379 . 8 1 1 A 30 30 GLU C C 30 178.085 176.675 1.410 1
1 380 . 8 1 1 A 31 31 GLY N N 31 113.446 107.776 5.670 1
1 381 . 8 1 1 A 31 31 GLY H H 31 8.365 8.264 0.101 1
1 382 . 8 1 1 A 31 31 GLY CA C 31 44.684 45.737 -1.053 1
1 383 . 8 1 1 A 31 31 GLY HA3 H 31 4.401 4.123 0.278 1
1 384 . 8 1 1 A 31 31 GLY HA2 H 31 3.749 4.122 -0.373 1
1 385 . 8 1 1 A 31 31 GLY C C 31 175.765 173.477 2.288 1
1 386 . 8 1 1 A 32 32 ASP N N 32 121.874 121.975 -0.101 1
1 387 . 8 1 1 A 32 32 ASP H H 32 8.288 7.553 0.735 1
1 388 . 8 1 1 A 32 32 ASP CA C 32 52.900 51.450 1.450 1
1 389 . 8 1 1 A 32 32 ASP HA H 32 4.973 4.987 -0.014 1
1 390 . 8 1 1 A 32 32 ASP CB C 32 39.908 42.045 -2.137 1
1 393 . 8 1 1 A 32 32 ASP C C 32 176.423 175.283 1.140 1
1 394 . 8 1 1 A 33 33 PRO CA C 33 61.096 62.570 -1.474 1
1 395 . 8 1 1 A 33 33 PRO HA H 33 4.774 4.744 0.030 1
1 396 . 8 1 1 A 33 33 PRO CB C 33 31.074 29.424 1.650 1
1 405 . 8 1 1 A 33 33 PRO C C 33 177.497 176.391 1.106 1
1 406 . 8 1 1 A 34 34 LEU N N 34 123.101 124.108 -1.007 1
1 407 . 8 1 1 A 34 34 LEU H H 34 9.067 7.296 1.771 1
1 408 . 8 1 1 A 34 34 LEU CA C 34 52.842 55.346 -2.504 1
1 409 . 8 1 1 A 34 34 LEU HA H 34 5.052 5.226 -0.174 1
1 410 . 8 1 1 A 34 34 LEU CB C 34 44.012 42.935 1.077 1
1 419 . 8 1 1 A 34 34 LEU C C 34 176.051 176.697 -0.646 1
1 420 . 8 1 1 A 35 35 GLU N N 35 122.921 122.800 0.121 1
1 421 . 8 1 1 A 35 35 GLU H H 35 9.535 8.795 0.740 1
1 422 . 8 1 1 A 35 35 GLU CA C 35 54.656 54.977 -0.321 1
1 423 . 8 1 1 A 35 35 GLU HA H 35 4.218 4.944 -0.726 1
1 424 . 8 1 1 A 35 35 GLU CB C 35 32.760 31.163 1.597 1
1 430 . 8 1 1 A 35 35 GLU C C 35 177.010 175.152 1.858 1
1 431 . 8 1 1 A 36 36 ILE N N 36 122.970 129.162 -6.192 1
1 432 . 8 1 1 A 36 36 ILE H H 36 8.514 8.703 -0.189 1
1 433 . 8 1 1 A 36 36 ILE CA C 36 60.838 60.436 0.402 1
1 434 . 8 1 1 A 36 36 ILE HA H 36 4.184 4.572 -0.388 1
1 435 . 8 1 1 A 36 36 ILE CB C 36 38.529 36.898 1.631 1
1 448 . 8 1 1 A 36 36 ILE C C 36 177.618 175.287 2.331 1
1 449 . 8 1 1 A 37 37 PHE N N 37 125.834 123.552 2.282 1
1 450 . 8 1 1 A 37 37 PHE H H 37 9.392 8.985 0.407 1
1 451 . 8 1 1 A 37 37 PHE CA C 37 55.662 55.883 -0.221 1
1 452 . 8 1 1 A 37 37 PHE HA H 37 5.087 5.337 -0.250 1
1 453 . 8 1 1 A 37 37 PHE CB C 37 42.260 41.842 0.418 1
1 456 . 8 1 1 A 37 37 PHE C C 37 175.006 172.834 2.172 1
1 457 . 8 1 1 A 38 38 VAL N N 38 116.642 124.393 -7.751 1
1 458 . 8 1 1 A 38 38 VAL H H 38 8.519 8.910 -0.391 1
1 459 . 8 1 1 A 38 38 VAL CA C 38 60.289 61.680 -1.391 1
1 460 . 8 1 1 A 38 38 VAL HA H 38 5.154 4.340 0.814 1
1 461 . 8 1 1 A 38 38 VAL CB C 38 34.258 32.566 1.692 1
1 471 . 8 1 1 A 38 38 VAL C C 38 177.654 176.194 1.460 1
1 472 . 8 1 1 A 39 39 ASP N N 39 124.423 128.182 -3.759 1
1 473 . 8 1 1 A 39 39 ASP H H 39 8.720 9.052 -0.332 1
1 474 . 8 1 1 A 39 39 ASP CA C 39 51.372 56.501 -5.129 1
1 475 . 8 1 1 A 39 39 ASP HA H 39 5.014 4.500 0.514 1
1 476 . 8 1 1 A 39 39 ASP CB C 39 42.446 41.639 0.807 1
1 479 . 8 1 1 A 39 39 ASP C C 39 178.788 176.978 1.810 1
1 480 . 8 1 1 A 40 40 ARG N N 40 117.971 114.737 3.234 1
1 481 . 8 1 1 A 40 40 ARG H H 40 8.601 7.879 0.722 1
1 482 . 8 1 1 A 40 40 ARG CA C 40 57.264 56.686 0.578 1
1 483 . 8 1 1 A 40 40 ARG HA H 40 4.174 4.577 -0.403 1
1 484 . 8 1 1 A 40 40 ARG CB C 40 29.007 31.349 -2.342 1
1 491 . 8 1 1 A 40 40 ARG C C 40 177.916 177.073 0.843 1
1 492 . 8 1 1 A 41 41 ASP N N 41 117.798 119.977 -2.179 1
1 493 . 8 1 1 A 41 41 ASP H H 41 8.138 8.322 -0.184 1
1 494 . 8 1 1 A 41 41 ASP CA C 41 53.578 55.817 -2.239 1
1 495 . 8 1 1 A 41 41 ASP HA H 41 4.723 4.788 -0.065 1
1 496 . 8 1 1 A 41 41 ASP CB C 41 39.947 41.938 -1.991 1
1 499 . 8 1 1 A 41 41 ASP C C 41 178.048 177.455 0.593 1
1 500 . 8 1 1 A 42 42 GLY N N 42 106.809 106.210 0.599 1
1 501 . 8 1 1 A 42 42 GLY H H 42 8.125 7.948 0.177 1
1 502 . 8 1 1 A 42 42 GLY CA C 42 46.017 45.371 0.646 1
1 503 . 8 1 1 A 42 42 GLY HA3 H 42 4.156 4.052 0.104 1
1 504 . 8 1 1 A 42 42 GLY HA2 H 42 3.647 4.050 -0.403 1
1 505 . 8 1 1 A 42 42 GLY C C 42 174.932 174.112 0.820 1
1 506 . 8 1 1 A 43 43 GLU N N 43 116.783 119.559 -2.776 1
1 507 . 8 1 1 A 43 43 GLU H H 43 7.909 7.803 0.106 1
1 508 . 8 1 1 A 43 43 GLU CA C 43 53.603 55.333 -1.730 1
1 509 . 8 1 1 A 43 43 GLU HA H 43 4.741 4.597 0.144 1
1 510 . 8 1 1 A 43 43 GLU CB C 43 29.813 30.614 -0.801 1
1 516 . 8 1 1 A 43 43 GLU C C 43 176.455 175.569 0.886 1
1 517 . 8 1 1 A 44 44 VAL N N 44 120.785 125.554 -4.769 1
1 518 . 8 1 1 A 44 44 VAL H H 44 8.635 8.517 0.118 1
1 519 . 8 1 1 A 44 44 VAL CA C 44 61.231 62.155 -0.924 1
1 520 . 8 1 1 A 44 44 VAL HA H 44 4.503 4.364 0.139 1
1 521 . 8 1 1 A 44 44 VAL CB C 44 32.334 32.227 0.107 1
1 531 . 8 1 1 A 44 44 VAL C C 44 175.366 175.443 -0.077 1
1 532 . 8 1 1 A 45 45 ILE N N 45 126.640 128.366 -1.726 1
1 533 . 8 1 1 A 45 45 ILE H H 45 8.972 9.250 -0.278 1
1 534 . 8 1 1 A 45 45 ILE CA C 45 59.456 59.428 0.028 1
1 535 . 8 1 1 A 45 45 ILE HA H 45 4.889 4.696 0.193 1
1 536 . 8 1 1 A 45 45 ILE CB C 45 38.628 38.811 -0.183 1
1 549 . 8 1 1 A 45 45 ILE C C 45 176.485 174.426 2.059 1
1 550 . 8 1 1 A 46 46 LEU N N 46 123.557 128.418 -4.861 1
1 551 . 8 1 1 A 46 46 LEU H H 46 9.340 9.088 0.252 1
1 552 . 8 1 1 A 46 46 LEU CA C 46 52.946 53.417 -0.471 1
1 553 . 8 1 1 A 46 46 LEU HA H 46 5.384 6.001 -0.617 1
1 554 . 8 1 1 A 46 46 LEU CB C 46 42.721 42.759 -0.038 1
1 564 . 8 1 1 A 46 46 LEU C C 46 177.393 175.050 2.343 1
1 565 . 8 1 1 A 47 47 LYS N N 47 119.462 127.236 -7.774 1
1 566 . 8 1 1 A 47 47 LYS H H 47 8.909 8.965 -0.056 1
1 567 . 8 1 1 A 47 47 LYS CA C 47 53.220 54.584 -1.364 1
1 568 . 8 1 1 A 47 47 LYS HA H 47 4.959 4.945 0.014 1
1 569 . 8 1 1 A 47 47 LYS CB C 47 35.877 35.635 0.242 1
1 578 . 8 1 1 A 48 48 LYS CA C 48 58.654 58.711 -0.057 1
1 579 . 8 1 1 A 48 48 LYS HA H 48 4.251 4.188 0.063 1
1 580 . 8 1 1 A 48 48 LYS CB C 48 31.479 31.856 -0.377 1
1 591 . 8 1 1 A 48 48 LYS C C 48 178.183 176.999 1.184 1
1 592 . 8 1 1 A 49 49 TYR N N 49 125.460 120.557 4.903 1
1 593 . 8 1 1 A 49 49 TYR H H 49 8.189 8.108 0.081 1
1 594 . 8 1 1 A 49 49 TYR CA C 49 57.281 59.597 -2.316 1
1 595 . 8 1 1 A 49 49 TYR HA H 49 4.762 4.564 0.198 1
1 596 . 8 1 1 A 49 49 TYR CB C 49 38.697 38.172 0.525 1
1 599 . 8 1 1 A 49 49 TYR C C 49 176.094 176.954 -0.860 1
1 600 . 8 1 1 A 50 50 SER N N 50 122.040 115.797 6.243 1
1 601 . 8 1 1 A 50 50 SER H H 50 8.045 9.139 -1.094 1
1 602 . 8 1 1 A 50 50 SER CA C 50 54.280 63.191 -8.911 1
1 603 . 8 1 1 A 50 50 SER HA H 50 4.635 3.777 0.858 1
1 604 . 8 1 1 A 50 50 SER CB C 50 62.402 62.148 0.254 1
1 607 . 8 1 1 A 51 51 PRO CA C 51 62.488 63.553 -1.065 1
1 608 . 8 1 1 A 51 51 PRO HA H 51 4.298 4.445 -0.147 1
1 609 . 8 1 1 A 51 51 PRO CB C 51 31.121 32.801 -1.680 1
1 616 . 8 1 1 A 51 51 PRO C C 51 178.546 177.401 1.145 1
1 617 . 8 1 1 A 52 52 ILE N N 52 118.973 118.219 0.754 1
1 618 . 8 1 1 A 52 52 ILE H H 52 7.963 8.504 -0.541 1
1 619 . 8 1 1 A 52 52 ILE CA C 52 60.234 63.411 -3.177 1
1 620 . 8 1 1 A 52 52 ILE HA H 52 4.198 3.848 0.350 1
1 621 . 8 1 1 A 52 52 ILE CB C 52 37.863 36.604 1.259 1
1 634 . 8 1 1 A 52 52 ILE C C 52 177.929 174.572 3.357 1
1 635 . 8 1 1 A 53 53 SER N N 53 118.194 120.426 -2.232 1
1 636 . 8 1 1 A 53 53 SER H H 53 8.203 8.446 -0.243 1
1 637 . 8 1 1 A 53 53 SER CA C 53 57.318 57.587 -0.269 1
1 638 . 8 1 1 A 53 53 SER HA H 53 4.480 4.947 -0.467 1
1 639 . 8 1 1 A 53 53 SER CB C 53 63.124 63.998 -0.874 1
1 641 . 8 1 1 A 53 53 SER C C 53 175.932 174.945 0.987 1
1 642 . 8 1 1 A 54 54 GLU N N 54 122.542 125.556 -3.014 1
1 643 . 8 1 1 A 54 54 GLU H H 54 8.347 9.583 -1.236 1
1 644 . 8 1 1 A 54 54 GLU CA C 54 55.560 58.204 -2.644 1
1 645 . 8 1 1 A 54 54 GLU HA H 54 4.387 3.934 0.453 1
1 646 . 8 1 1 A 54 54 GLU CB C 54 29.438 27.558 1.880 1
1 651 . 8 1 1 A 54 54 GLU C C 54 176.980 176.177 0.803 1
1 3 . 9 1 1 A 2 2 LYS CA C 2 55.606 54.141 1.465 1
1 4 . 9 1 1 A 2 2 LYS HA H 2 4.540 4.931 -0.391 1
1 5 . 9 1 1 A 2 2 LYS CB C 2 32.447 35.467 -3.020 1
1 13 . 9 1 1 A 2 2 LYS C C 2 177.204 175.479 1.725 1
1 14 . 9 1 1 A 3 3 ALA N N 3 126.109 120.186 5.923 1
1 15 . 9 1 1 A 3 3 ALA H H 3 8.553 8.564 -0.011 1
1 16 . 9 1 1 A 3 3 ALA CA C 3 52.218 53.001 -0.783 1
1 17 . 9 1 1 A 3 3 ALA HA H 3 4.342 4.026 0.316 1
1 18 . 9 1 1 A 3 3 ALA CB C 3 19.245 17.982 1.263 1
1 22 . 9 1 1 A 3 3 ALA C C 3 179.308 177.883 1.425 1
1 23 . 9 1 1 A 4 4 THR N N 4 112.465 114.076 -1.611 1
1 24 . 9 1 1 A 4 4 THR H H 4 8.078 8.360 -0.282 1
1 25 . 9 1 1 A 4 4 THR CA C 4 61.583 62.035 -0.452 1
1 26 . 9 1 1 A 4 4 THR HA H 4 4.420 4.637 -0.217 1
1 27 . 9 1 1 A 4 4 THR CB C 4 69.460 71.309 -1.849 1
1 33 . 9 1 1 A 4 4 THR C C 4 173.474 175.900 -2.426 1
1 34 . 9 1 1 A 5 5 GLY N N 5 111.771 111.493 0.278 1
1 35 . 9 1 1 A 5 5 GLY H H 5 9.037 8.114 0.923 1
1 36 . 9 1 1 A 5 5 GLY CA C 5 44.687 46.942 -2.255 1
1 37 . 9 1 1 A 5 5 GLY HA3 H 5 4.058 3.913 0.145 1
1 38 . 9 1 1 A 5 5 GLY HA2 H 5 3.623 3.911 -0.288 1
1 39 . 9 1 1 A 5 5 GLY C C 5 174.756 174.506 0.250 1
1 40 . 9 1 1 A 6 6 ILE N N 6 121.234 121.342 -0.108 1
1 41 . 9 1 1 A 6 6 ILE H H 6 8.287 7.754 0.533 1
1 42 . 9 1 1 A 6 6 ILE CA C 6 60.578 60.268 0.310 1
1 43 . 9 1 1 A 6 6 ILE HA H 6 4.132 4.536 -0.404 1
1 44 . 9 1 1 A 6 6 ILE CB C 6 38.785 39.311 -0.526 1
1 57 . 9 1 1 A 6 6 ILE C C 6 176.395 174.529 1.866 1
1 58 . 9 1 1 A 7 7 VAL N N 7 126.096 130.630 -4.534 1
1 59 . 9 1 1 A 7 7 VAL H H 7 8.237 8.746 -0.509 1
1 60 . 9 1 1 A 7 7 VAL CA C 7 60.516 62.924 -2.408 1
1 61 . 9 1 1 A 7 7 VAL HA H 7 5.002 4.161 0.841 1
1 62 . 9 1 1 A 7 7 VAL CB C 7 32.807 31.975 0.832 1
1 72 . 9 1 1 A 7 7 VAL C C 7 179.140 175.012 4.128 1
1 73 . 9 1 1 A 8 8 ARG N N 8 127.158 128.227 -1.069 1
1 74 . 9 1 1 A 8 8 ARG H H 8 9.070 8.854 0.216 1
1 75 . 9 1 1 A 8 8 ARG CA C 8 52.551 54.504 -1.953 1
1 76 . 9 1 1 A 8 8 ARG HA H 8 4.805 5.075 -0.270 1
1 77 . 9 1 1 A 8 8 ARG CB C 8 34.444 33.422 1.022 1
1 86 . 9 1 1 A 8 8 ARG C C 8 176.302 174.782 1.520 1
1 87 . 9 1 1 A 9 9 ARG N N 9 118.729 128.101 -9.372 1
1 88 . 9 1 1 A 9 9 ARG H H 9 8.630 8.546 0.084 1
1 89 . 9 1 1 A 9 9 ARG CA C 9 54.299 56.096 -1.797 1
1 90 . 9 1 1 A 9 9 ARG HA H 9 5.115 4.529 0.586 1
1 91 . 9 1 1 A 9 9 ARG CB C 9 31.277 29.903 1.374 1
1 99 . 9 1 1 A 9 9 ARG C C 9 178.367 176.670 1.697 1
1 100 . 9 1 1 A 10 10 ILE N N 10 122.469 125.688 -3.219 1
1 101 . 9 1 1 A 10 10 ILE H H 10 7.962 8.282 -0.320 1
1 102 . 9 1 1 A 10 10 ILE CA C 10 58.715 64.154 -5.439 1
1 103 . 9 1 1 A 10 10 ILE HA H 10 4.541 4.232 0.309 1
1 104 . 9 1 1 A 10 10 ILE CB C 10 39.300 37.497 1.803 1
1 117 . 9 1 1 A 10 10 ILE C C 10 177.681 175.295 2.386 1
1 118 . 9 1 1 A 11 11 ASP N N 11 127.298 119.789 7.509 1
1 119 . 9 1 1 A 11 11 ASP H H 11 8.557 7.882 0.675 1
1 120 . 9 1 1 A 11 11 ASP CA C 11 52.440 53.292 -0.852 1
1 121 . 9 1 1 A 11 11 ASP HA H 11 4.889 4.760 0.129 1
1 122 . 9 1 1 A 11 11 ASP CB C 11 40.972 41.426 -0.454 1
1 125 . 9 1 1 A 11 11 ASP C C 11 178.929 175.684 3.245 1
1 126 . 9 1 1 A 12 12 ASP N N 12 113.147 118.361 -5.214 1
1 127 . 9 1 1 A 12 12 ASP H H 12 8.506 8.798 -0.292 1
1 128 . 9 1 1 A 12 12 ASP CA C 12 55.100 55.942 -0.842 1
1 129 . 9 1 1 A 12 12 ASP HA H 12 4.054 4.354 -0.300 1
1 130 . 9 1 1 A 12 12 ASP CB C 12 38.734 40.794 -2.060 1
1 133 . 9 1 1 A 12 12 ASP C C 12 178.444 177.335 1.109 1
1 134 . 9 1 1 A 13 13 LEU N N 13 120.798 119.187 1.611 1
1 135 . 9 1 1 A 13 13 LEU H H 13 8.268 8.272 -0.004 1
1 136 . 9 1 1 A 13 13 LEU CA C 13 53.160 56.672 -3.512 1
1 137 . 9 1 1 A 13 13 LEU HA H 13 4.510 4.384 0.126 1
1 138 . 9 1 1 A 13 13 LEU CB C 13 42.040 44.023 -1.983 1
1 151 . 9 1 1 A 13 13 LEU C C 13 178.487 176.771 1.716 1
1 152 . 9 1 1 A 14 14 GLY N N 14 106.617 107.473 -0.856 1
1 153 . 9 1 1 A 14 14 GLY H H 14 7.978 8.201 -0.223 1
1 154 . 9 1 1 A 14 14 GLY CA C 14 44.441 44.877 -0.436 1
1 155 . 9 1 1 A 14 14 GLY HA3 H 14 3.380 4.069 -0.689 1
1 156 . 9 1 1 A 14 14 GLY HA2 H 14 4.168 4.068 0.100 1
1 157 . 9 1 1 A 14 14 GLY C C 14 174.619 174.423 0.196 1
1 158 . 9 1 1 A 15 15 ARG N N 15 116.828 120.083 -3.255 1
1 159 . 9 1 1 A 15 15 ARG H H 15 8.530 7.740 0.790 1
1 160 . 9 1 1 A 15 15 ARG CA C 15 54.284 56.021 -1.737 1
1 161 . 9 1 1 A 15 15 ARG HA H 15 5.202 4.419 0.783 1
1 162 . 9 1 1 A 15 15 ARG CB C 15 31.579 31.528 0.051 1
1 171 . 9 1 1 A 15 15 ARG C C 15 178.314 175.425 2.889 1
1 172 . 9 1 1 A 16 16 VAL N N 16 119.216 118.607 0.609 1
1 173 . 9 1 1 A 16 16 VAL H H 16 8.481 8.638 -0.157 1
1 174 . 9 1 1 A 16 16 VAL CA C 16 58.123 60.970 -2.847 1
1 175 . 9 1 1 A 16 16 VAL HA H 16 4.494 4.836 -0.342 1
1 176 . 9 1 1 A 16 16 VAL CB C 16 36.071 33.560 2.511 1
1 186 . 9 1 1 A 16 16 VAL C C 16 174.742 174.305 0.437 1
1 187 . 9 1 1 A 17 17 VAL N N 17 125.420 127.448 -2.028 1
1 188 . 9 1 1 A 17 17 VAL H H 17 7.990 8.800 -0.810 1
1 189 . 9 1 1 A 17 17 VAL CA C 17 61.551 63.098 -1.547 1
1 190 . 9 1 1 A 17 17 VAL HA H 17 3.882 4.151 -0.269 1
1 191 . 9 1 1 A 17 17 VAL CB C 17 32.136 31.070 1.066 1
1 201 . 9 1 1 A 17 17 VAL C C 17 176.487 175.527 0.960 1
1 202 . 9 1 1 A 18 18 ILE N N 18 125.876 128.778 -2.902 1
1 203 . 9 1 1 A 18 18 ILE H H 18 8.527 8.304 0.223 1
1 204 . 9 1 1 A 18 18 ILE CA C 18 56.210 58.569 -2.359 1
1 205 . 9 1 1 A 18 18 ILE HA H 18 4.332 4.478 -0.146 1
1 206 . 9 1 1 A 18 18 ILE CB C 18 35.827 38.219 -2.392 1
1 219 . 9 1 1 A 18 18 ILE C C 18 176.060 174.399 1.661 1
1 220 . 9 1 1 A 19 19 PRO CA C 19 62.944 62.917 0.027 1
1 221 . 9 1 1 A 19 19 PRO HA H 19 4.549 4.532 0.017 1
1 222 . 9 1 1 A 19 19 PRO CB C 19 32.802 32.759 0.043 1
1 231 . 9 1 1 A 19 19 PRO C C 19 178.970 177.438 1.532 1
1 232 . 9 1 1 A 20 20 LYS N N 20 126.618 122.062 4.556 1
1 233 . 9 1 1 A 20 20 LYS H H 20 9.014 8.522 0.492 1
1 234 . 9 1 1 A 20 20 LYS CA C 20 59.765 58.921 0.844 1
1 235 . 9 1 1 A 20 20 LYS HA H 20 3.756 3.986 -0.230 1
1 236 . 9 1 1 A 20 20 LYS CB C 20 31.684 31.877 -0.193 1
1 247 . 9 1 1 A 20 20 LYS C C 20 179.313 178.314 0.999 1
1 248 . 9 1 1 A 21 21 GLU N N 21 117.455 120.447 -2.992 1
1 249 . 9 1 1 A 21 21 GLU H H 21 9.856 8.623 1.233 1
1 250 . 9 1 1 A 21 21 GLU CA C 21 59.771 58.733 1.038 1
1 251 . 9 1 1 A 21 21 GLU HA H 21 4.110 4.117 -0.007 1
1 252 . 9 1 1 A 21 21 GLU CB C 21 28.626 28.455 0.171 1
1 257 . 9 1 1 A 21 21 GLU C C 21 180.774 178.404 2.370 1
1 258 . 9 1 1 A 22 22 ILE N N 22 118.288 120.898 -2.610 1
1 259 . 9 1 1 A 22 22 ILE H H 22 7.074 7.306 -0.232 1
1 260 . 9 1 1 A 22 22 ILE CA C 22 63.046 64.370 -1.324 1
1 261 . 9 1 1 A 22 22 ILE HA H 22 3.849 3.932 -0.083 1
1 262 . 9 1 1 A 22 22 ILE CB C 22 36.466 37.981 -1.515 1
1 275 . 9 1 1 A 22 22 ILE C C 22 179.924 177.746 2.178 1
1 276 . 9 1 1 A 23 23 ARG N N 23 117.382 121.312 -3.930 1
1 277 . 9 1 1 A 23 23 ARG H H 23 7.830 8.144 -0.314 1
1 278 . 9 1 1 A 23 23 ARG CA C 23 60.379 59.325 1.054 1
1 279 . 9 1 1 A 23 23 ARG HA H 23 3.764 3.885 -0.121 1
1 280 . 9 1 1 A 23 23 ARG CB C 23 28.923 29.846 -0.923 1
1 288 . 9 1 1 A 23 23 ARG C C 23 180.110 178.294 1.816 1
1 289 . 9 1 1 A 24 24 ARG N N 24 115.785 120.049 -4.264 1
1 290 . 9 1 1 A 24 24 ARG H H 24 8.431 8.462 -0.031 1
1 291 . 9 1 1 A 24 24 ARG CA C 24 58.531 59.196 -0.665 1
1 292 . 9 1 1 A 24 24 ARG HA H 24 4.183 4.054 0.129 1
1 293 . 9 1 1 A 24 24 ARG CB C 24 29.763 29.714 0.049 1
1 301 . 9 1 1 A 24 24 ARG C C 24 181.515 179.166 2.349 1
1 302 . 9 1 1 A 25 25 THR N N 25 115.618 115.961 -0.343 1
1 303 . 9 1 1 A 25 25 THR H H 25 7.733 7.987 -0.254 1
1 304 . 9 1 1 A 25 25 THR CA C 25 65.778 66.422 -0.644 1
1 305 . 9 1 1 A 25 25 THR HA H 25 3.994 4.017 -0.023 1
1 306 . 9 1 1 A 25 25 THR CB C 25 68.590 68.075 0.515 1
1 312 . 9 1 1 A 25 25 THR C C 25 177.350 177.009 0.341 1
1 313 . 9 1 1 A 26 26 LEU N N 26 117.244 120.599 -3.355 1
1 314 . 9 1 1 A 26 26 LEU H H 26 7.796 7.821 -0.025 1
1 315 . 9 1 1 A 26 26 LEU CA C 26 54.352 55.826 -1.474 1
1 316 . 9 1 1 A 26 26 LEU HA H 26 4.368 4.173 0.195 1
1 317 . 9 1 1 A 26 26 LEU CB C 26 42.330 42.067 0.263 1
1 329 . 9 1 1 A 26 26 LEU C C 26 177.163 176.373 0.790 1
1 330 . 9 1 1 A 27 27 ARG N N 27 116.574 116.406 0.168 1
1 331 . 9 1 1 A 27 27 ARG H H 27 7.720 7.844 -0.124 1
1 332 . 9 1 1 A 27 27 ARG CA C 27 56.737 57.389 -0.652 1
1 333 . 9 1 1 A 27 27 ARG HA H 27 3.872 3.881 -0.009 1
1 334 . 9 1 1 A 27 27 ARG CB C 27 25.656 27.011 -1.355 1
1 340 . 9 1 1 A 27 27 ARG C C 27 176.893 174.867 2.026 1
1 341 . 9 1 1 A 28 28 ILE N N 28 116.788 118.103 -1.315 1
1 342 . 9 1 1 A 28 28 ILE H H 28 8.332 7.673 0.659 1
1 343 . 9 1 1 A 28 28 ILE CA C 28 60.527 59.795 0.732 1
1 344 . 9 1 1 A 28 28 ILE HA H 28 4.465 4.788 -0.323 1
1 345 . 9 1 1 A 28 28 ILE CB C 28 39.882 40.778 -0.896 1
1 356 . 9 1 1 A 28 28 ILE C C 28 176.976 174.729 2.247 1
1 357 . 9 1 1 A 29 29 ARG N N 29 128.150 120.969 7.181 1
1 358 . 9 1 1 A 29 29 ARG H H 29 9.187 9.019 0.168 1
1 359 . 9 1 1 A 29 29 ARG CA C 29 53.925 54.850 -0.925 1
1 360 . 9 1 1 A 29 29 ARG HA H 29 4.472 4.747 -0.275 1
1 361 . 9 1 1 A 29 29 ARG CB C 29 31.701 30.526 1.175 1
1 369 . 9 1 1 A 29 29 ARG C C 29 176.397 175.704 0.693 1
1 370 . 9 1 1 A 30 30 GLU N N 30 119.127 116.633 2.494 1
1 371 . 9 1 1 A 30 30 GLU H H 30 8.813 8.426 0.387 1
1 372 . 9 1 1 A 30 30 GLU CA C 30 58.715 56.510 2.205 1
1 373 . 9 1 1 A 30 30 GLU HA H 30 3.642 4.435 -0.793 1
1 374 . 9 1 1 A 30 30 GLU CB C 30 27.910 28.671 -0.761 1
1 379 . 9 1 1 A 30 30 GLU C C 30 178.085 176.841 1.244 1
1 380 . 9 1 1 A 31 31 GLY N N 31 113.446 108.062 5.384 1
1 381 . 9 1 1 A 31 31 GLY H H 31 8.365 8.257 0.108 1
1 382 . 9 1 1 A 31 31 GLY CA C 31 44.684 45.711 -1.027 1
1 383 . 9 1 1 A 31 31 GLY HA3 H 31 4.401 4.114 0.287 1
1 384 . 9 1 1 A 31 31 GLY HA2 H 31 3.749 4.112 -0.363 1
1 385 . 9 1 1 A 31 31 GLY C C 31 175.765 173.630 2.135 1
1 386 . 9 1 1 A 32 32 ASP N N 32 121.874 122.005 -0.131 1
1 387 . 9 1 1 A 32 32 ASP H H 32 8.288 7.588 0.700 1
1 388 . 9 1 1 A 32 32 ASP CA C 32 52.900 51.738 1.162 1
1 389 . 9 1 1 A 32 32 ASP HA H 32 4.973 4.911 0.062 1
1 390 . 9 1 1 A 32 32 ASP CB C 32 39.908 41.995 -2.087 1
1 393 . 9 1 1 A 32 32 ASP C C 32 176.423 175.842 0.581 1
1 394 . 9 1 1 A 33 33 PRO CA C 33 61.096 62.707 -1.611 1
1 395 . 9 1 1 A 33 33 PRO HA H 33 4.774 4.689 0.085 1
1 396 . 9 1 1 A 33 33 PRO CB C 33 31.074 29.624 1.450 1
1 405 . 9 1 1 A 33 33 PRO C C 33 177.497 176.287 1.210 1
1 406 . 9 1 1 A 34 34 LEU N N 34 123.101 123.796 -0.695 1
1 407 . 9 1 1 A 34 34 LEU H H 34 9.067 7.088 1.979 1
1 408 . 9 1 1 A 34 34 LEU CA C 34 52.842 55.401 -2.559 1
1 409 . 9 1 1 A 34 34 LEU HA H 34 5.052 4.948 0.104 1
1 410 . 9 1 1 A 34 34 LEU CB C 34 44.012 42.939 1.073 1
1 419 . 9 1 1 A 34 34 LEU C C 34 176.051 176.704 -0.653 1
1 420 . 9 1 1 A 35 35 GLU N N 35 122.921 122.791 0.130 1
1 421 . 9 1 1 A 35 35 GLU H H 35 9.535 8.823 0.712 1
1 422 . 9 1 1 A 35 35 GLU CA C 35 54.656 54.969 -0.313 1
1 423 . 9 1 1 A 35 35 GLU HA H 35 4.218 4.943 -0.725 1
1 424 . 9 1 1 A 35 35 GLU CB C 35 32.760 31.105 1.655 1
1 430 . 9 1 1 A 35 35 GLU C C 35 177.010 175.020 1.990 1
1 431 . 9 1 1 A 36 36 ILE N N 36 122.970 128.821 -5.851 1
1 432 . 9 1 1 A 36 36 ILE H H 36 8.514 8.731 -0.217 1
1 433 . 9 1 1 A 36 36 ILE CA C 36 60.838 60.691 0.147 1
1 434 . 9 1 1 A 36 36 ILE HA H 36 4.184 4.535 -0.351 1
1 435 . 9 1 1 A 36 36 ILE CB C 36 38.529 36.873 1.656 1
1 448 . 9 1 1 A 36 36 ILE C C 36 177.618 175.331 2.287 1
1 449 . 9 1 1 A 37 37 PHE N N 37 125.834 123.612 2.222 1
1 450 . 9 1 1 A 37 37 PHE H H 37 9.392 9.205 0.187 1
1 451 . 9 1 1 A 37 37 PHE CA C 37 55.662 55.944 -0.282 1
1 452 . 9 1 1 A 37 37 PHE HA H 37 5.087 5.266 -0.179 1
1 453 . 9 1 1 A 37 37 PHE CB C 37 42.260 41.789 0.471 1
1 456 . 9 1 1 A 37 37 PHE C C 37 175.006 172.721 2.285 1
1 457 . 9 1 1 A 38 38 VAL N N 38 116.642 124.591 -7.949 1
1 458 . 9 1 1 A 38 38 VAL H H 38 8.519 8.924 -0.405 1
1 459 . 9 1 1 A 38 38 VAL CA C 38 60.289 61.618 -1.329 1
1 460 . 9 1 1 A 38 38 VAL HA H 38 5.154 4.453 0.701 1
1 461 . 9 1 1 A 38 38 VAL CB C 38 34.258 32.458 1.800 1
1 471 . 9 1 1 A 38 38 VAL C C 38 177.654 175.517 2.137 1
1 472 . 9 1 1 A 39 39 ASP N N 39 124.423 127.892 -3.469 1
1 473 . 9 1 1 A 39 39 ASP H H 39 8.720 9.093 -0.373 1
1 474 . 9 1 1 A 39 39 ASP CA C 39 51.372 56.244 -4.872 1
1 475 . 9 1 1 A 39 39 ASP HA H 39 5.014 4.544 0.470 1
1 476 . 9 1 1 A 39 39 ASP CB C 39 42.446 41.682 0.764 1
1 479 . 9 1 1 A 39 39 ASP C C 39 178.788 176.350 2.438 1
1 480 . 9 1 1 A 40 40 ARG N N 40 117.971 115.002 2.969 1
1 481 . 9 1 1 A 40 40 ARG H H 40 8.601 7.835 0.766 1
1 482 . 9 1 1 A 40 40 ARG CA C 40 57.264 55.702 1.562 1
1 483 . 9 1 1 A 40 40 ARG HA H 40 4.174 4.550 -0.376 1
1 484 . 9 1 1 A 40 40 ARG CB C 40 29.007 30.863 -1.856 1
1 491 . 9 1 1 A 40 40 ARG C C 40 177.916 176.444 1.472 1
1 492 . 9 1 1 A 41 41 ASP N N 41 117.798 120.162 -2.364 1
1 493 . 9 1 1 A 41 41 ASP H H 41 8.138 8.165 -0.027 1
1 494 . 9 1 1 A 41 41 ASP CA C 41 53.578 56.109 -2.531 1
1 495 . 9 1 1 A 41 41 ASP HA H 41 4.723 4.452 0.271 1
1 496 . 9 1 1 A 41 41 ASP CB C 41 39.947 40.913 -0.966 1
1 499 . 9 1 1 A 41 41 ASP C C 41 178.048 177.321 0.727 1
1 500 . 9 1 1 A 42 42 GLY N N 42 106.809 106.424 0.385 1
1 501 . 9 1 1 A 42 42 GLY H H 42 8.125 7.881 0.244 1
1 502 . 9 1 1 A 42 42 GLY CA C 42 46.017 45.520 0.497 1
1 503 . 9 1 1 A 42 42 GLY HA3 H 42 4.156 4.060 0.096 1
1 504 . 9 1 1 A 42 42 GLY HA2 H 42 3.647 4.057 -0.410 1
1 505 . 9 1 1 A 42 42 GLY C C 42 174.932 173.225 1.707 1
1 506 . 9 1 1 A 43 43 GLU N N 43 116.783 119.622 -2.839 1
1 507 . 9 1 1 A 43 43 GLU H H 43 7.909 7.614 0.295 1
1 508 . 9 1 1 A 43 43 GLU CA C 43 53.603 55.715 -2.112 1
1 509 . 9 1 1 A 43 43 GLU HA H 43 4.741 4.472 0.269 1
1 510 . 9 1 1 A 43 43 GLU CB C 43 29.813 29.827 -0.014 1
1 516 . 9 1 1 A 43 43 GLU C C 43 176.455 175.222 1.233 1
1 517 . 9 1 1 A 44 44 VAL N N 44 120.785 126.082 -5.297 1
1 518 . 9 1 1 A 44 44 VAL H H 44 8.635 8.497 0.138 1
1 519 . 9 1 1 A 44 44 VAL CA C 44 61.231 62.259 -1.028 1
1 520 . 9 1 1 A 44 44 VAL HA H 44 4.503 4.367 0.136 1
1 521 . 9 1 1 A 44 44 VAL CB C 44 32.334 32.412 -0.078 1
1 531 . 9 1 1 A 44 44 VAL C C 44 175.366 175.470 -0.104 1
1 532 . 9 1 1 A 45 45 ILE N N 45 126.640 128.791 -2.151 1
1 533 . 9 1 1 A 45 45 ILE H H 45 8.972 9.361 -0.389 1
1 534 . 9 1 1 A 45 45 ILE CA C 45 59.456 59.625 -0.169 1
1 535 . 9 1 1 A 45 45 ILE HA H 45 4.889 4.762 0.127 1
1 536 . 9 1 1 A 45 45 ILE CB C 45 38.628 38.808 -0.180 1
1 549 . 9 1 1 A 45 45 ILE C C 45 176.485 174.661 1.824 1
1 550 . 9 1 1 A 46 46 LEU N N 46 123.557 128.393 -4.836 1
1 551 . 9 1 1 A 46 46 LEU H H 46 9.340 9.087 0.253 1
1 552 . 9 1 1 A 46 46 LEU CA C 46 52.946 53.272 -0.326 1
1 553 . 9 1 1 A 46 46 LEU HA H 46 5.384 6.157 -0.773 1
1 554 . 9 1 1 A 46 46 LEU CB C 46 42.721 42.891 -0.170 1
1 564 . 9 1 1 A 46 46 LEU C C 46 177.393 175.876 1.517 1
1 565 . 9 1 1 A 47 47 LYS N N 47 119.462 124.218 -4.756 1
1 566 . 9 1 1 A 47 47 LYS H H 47 8.909 8.224 0.685 1
1 567 . 9 1 1 A 47 47 LYS CA C 47 53.220 54.528 -1.308 1
1 568 . 9 1 1 A 47 47 LYS HA H 47 4.959 4.878 0.081 1
1 569 . 9 1 1 A 47 47 LYS CB C 47 35.877 35.629 0.248 1
1 578 . 9 1 1 A 48 48 LYS CA C 48 58.654 58.560 0.094 1
1 579 . 9 1 1 A 48 48 LYS HA H 48 4.251 4.385 -0.134 1
1 580 . 9 1 1 A 48 48 LYS CB C 48 31.479 32.182 -0.703 1
1 591 . 9 1 1 A 48 48 LYS C C 48 178.183 177.083 1.100 1
1 592 . 9 1 1 A 49 49 TYR N N 49 125.460 120.454 5.006 1
1 593 . 9 1 1 A 49 49 TYR H H 49 8.189 8.052 0.137 1
1 594 . 9 1 1 A 49 49 TYR CA C 49 57.281 59.465 -2.184 1
1 595 . 9 1 1 A 49 49 TYR HA H 49 4.762 4.574 0.188 1
1 596 . 9 1 1 A 49 49 TYR CB C 49 38.697 38.198 0.499 1
1 599 . 9 1 1 A 49 49 TYR C C 49 176.094 176.132 -0.038 1
1 600 . 9 1 1 A 50 50 SER N N 50 122.040 114.613 7.427 1
1 601 . 9 1 1 A 50 50 SER H H 50 8.045 8.704 -0.659 1
1 602 . 9 1 1 A 50 50 SER CA C 50 54.280 62.793 -8.513 1
1 603 . 9 1 1 A 50 50 SER HA H 50 4.635 3.893 0.742 1
1 604 . 9 1 1 A 50 50 SER CB C 50 62.402 62.193 0.209 1
1 607 . 9 1 1 A 51 51 PRO CA C 51 62.488 63.537 -1.049 1
1 608 . 9 1 1 A 51 51 PRO HA H 51 4.298 4.431 -0.133 1
1 609 . 9 1 1 A 51 51 PRO CB C 51 31.121 32.667 -1.546 1
1 616 . 9 1 1 A 51 51 PRO C C 51 178.546 177.246 1.300 1
1 617 . 9 1 1 A 52 52 ILE N N 52 118.973 118.075 0.898 1
1 618 . 9 1 1 A 52 52 ILE H H 52 7.963 8.094 -0.131 1
1 619 . 9 1 1 A 52 52 ILE CA C 52 60.234 63.163 -2.929 1
1 620 . 9 1 1 A 52 52 ILE HA H 52 4.198 3.900 0.298 1
1 621 . 9 1 1 A 52 52 ILE CB C 52 37.863 36.617 1.246 1
1 634 . 9 1 1 A 52 52 ILE C C 52 177.929 175.731 2.198 1
1 635 . 9 1 1 A 53 53 SER N N 53 118.194 122.635 -4.441 1
1 636 . 9 1 1 A 53 53 SER H H 53 8.203 8.683 -0.480 1
1 637 . 9 1 1 A 53 53 SER CA C 53 57.318 57.661 -0.343 1
1 638 . 9 1 1 A 53 53 SER HA H 53 4.480 4.463 0.017 1
1 639 . 9 1 1 A 53 53 SER CB C 53 63.124 62.599 0.525 1
1 641 . 9 1 1 A 53 53 SER C C 53 175.932 173.647 2.285 1
1 642 . 9 1 1 A 54 54 GLU N N 54 122.542 115.340 7.202 1
1 643 . 9 1 1 A 54 54 GLU H H 54 8.347 7.906 0.441 1
1 644 . 9 1 1 A 54 54 GLU CA C 54 55.560 57.392 -1.832 1
1 645 . 9 1 1 A 54 54 GLU HA H 54 4.387 4.246 0.141 1
1 646 . 9 1 1 A 54 54 GLU CB C 54 29.438 28.710 0.728 1
1 651 . 9 1 1 A 54 54 GLU C C 54 176.980 176.061 0.919 1
1 3 . 10 1 1 A 2 2 LYS CA C 2 55.606 55.024 0.582 1
1 4 . 10 1 1 A 2 2 LYS HA H 2 4.540 4.517 0.023 1
1 5 . 10 1 1 A 2 2 LYS CB C 2 32.447 33.445 -0.998 1
1 13 . 10 1 1 A 2 2 LYS C C 2 177.204 175.845 1.359 1
1 14 . 10 1 1 A 3 3 ALA N N 3 126.109 120.369 5.740 1
1 15 . 10 1 1 A 3 3 ALA H H 3 8.553 8.623 -0.070 1
1 16 . 10 1 1 A 3 3 ALA CA C 3 52.218 52.845 -0.627 1
1 17 . 10 1 1 A 3 3 ALA HA H 3 4.342 3.907 0.435 1
1 18 . 10 1 1 A 3 3 ALA CB C 3 19.245 17.506 1.739 1
1 22 . 10 1 1 A 3 3 ALA C C 3 179.308 178.138 1.170 1
1 23 . 10 1 1 A 4 4 THR N N 4 112.465 111.877 0.588 1
1 24 . 10 1 1 A 4 4 THR H H 4 8.078 8.132 -0.054 1
1 25 . 10 1 1 A 4 4 THR CA C 4 61.583 62.477 -0.894 1
1 26 . 10 1 1 A 4 4 THR HA H 4 4.420 4.421 -0.001 1
1 27 . 10 1 1 A 4 4 THR CB C 4 69.460 70.707 -1.247 1
1 33 . 10 1 1 A 4 4 THR C C 4 173.474 175.729 -2.255 1
1 34 . 10 1 1 A 5 5 GLY N N 5 111.771 112.005 -0.234 1
1 35 . 10 1 1 A 5 5 GLY H H 5 9.037 8.139 0.898 1
1 36 . 10 1 1 A 5 5 GLY CA C 5 44.687 46.880 -2.193 1
1 37 . 10 1 1 A 5 5 GLY HA3 H 5 4.058 3.915 0.143 1
1 38 . 10 1 1 A 5 5 GLY HA2 H 5 3.623 3.914 -0.291 1
1 39 . 10 1 1 A 5 5 GLY C C 5 174.756 174.589 0.167 1
1 40 . 10 1 1 A 6 6 ILE N N 6 121.234 120.747 0.487 1
1 41 . 10 1 1 A 6 6 ILE H H 6 8.287 7.744 0.543 1
1 42 . 10 1 1 A 6 6 ILE CA C 6 60.578 60.198 0.380 1
1 43 . 10 1 1 A 6 6 ILE HA H 6 4.132 4.590 -0.458 1
1 44 . 10 1 1 A 6 6 ILE CB C 6 38.785 40.045 -1.260 1
1 57 . 10 1 1 A 6 6 ILE C C 6 176.395 174.460 1.935 1
1 58 . 10 1 1 A 7 7 VAL N N 7 126.096 131.263 -5.167 1
1 59 . 10 1 1 A 7 7 VAL H H 7 8.237 8.851 -0.614 1
1 60 . 10 1 1 A 7 7 VAL CA C 7 60.516 62.416 -1.900 1
1 61 . 10 1 1 A 7 7 VAL HA H 7 5.002 4.209 0.793 1
1 62 . 10 1 1 A 7 7 VAL CB C 7 32.807 32.324 0.483 1
1 72 . 10 1 1 A 7 7 VAL C C 7 179.140 174.880 4.260 1
1 73 . 10 1 1 A 8 8 ARG N N 8 127.158 128.179 -1.021 1
1 74 . 10 1 1 A 8 8 ARG H H 8 9.070 8.910 0.160 1
1 75 . 10 1 1 A 8 8 ARG CA C 8 52.551 54.532 -1.981 1
1 76 . 10 1 1 A 8 8 ARG HA H 8 4.805 4.933 -0.128 1
1 77 . 10 1 1 A 8 8 ARG CB C 8 34.444 33.389 1.055 1
1 86 . 10 1 1 A 8 8 ARG C C 8 176.302 174.669 1.633 1
1 87 . 10 1 1 A 9 9 ARG N N 9 118.729 128.200 -9.471 1
1 88 . 10 1 1 A 9 9 ARG H H 9 8.630 8.576 0.054 1
1 89 . 10 1 1 A 9 9 ARG CA C 9 54.299 55.945 -1.646 1
1 90 . 10 1 1 A 9 9 ARG HA H 9 5.115 4.543 0.572 1
1 91 . 10 1 1 A 9 9 ARG CB C 9 31.277 29.959 1.318 1
1 99 . 10 1 1 A 9 9 ARG C C 9 178.367 176.632 1.735 1
1 100 . 10 1 1 A 10 10 ILE N N 10 122.469 125.460 -2.991 1
1 101 . 10 1 1 A 10 10 ILE H H 10 7.962 7.932 0.030 1
1 102 . 10 1 1 A 10 10 ILE CA C 10 58.715 64.517 -5.802 1
1 103 . 10 1 1 A 10 10 ILE HA H 10 4.541 4.063 0.478 1
1 104 . 10 1 1 A 10 10 ILE CB C 10 39.300 37.641 1.659 1
1 117 . 10 1 1 A 10 10 ILE C C 10 177.681 175.209 2.472 1
1 118 . 10 1 1 A 11 11 ASP N N 11 127.298 120.075 7.223 1
1 119 . 10 1 1 A 11 11 ASP H H 11 8.557 7.883 0.674 1
1 120 . 10 1 1 A 11 11 ASP CA C 11 52.440 53.249 -0.809 1
1 121 . 10 1 1 A 11 11 ASP HA H 11 4.889 4.772 0.117 1
1 122 . 10 1 1 A 11 11 ASP CB C 11 40.972 41.964 -0.992 1
1 125 . 10 1 1 A 11 11 ASP C C 11 178.929 175.750 3.179 1
1 126 . 10 1 1 A 12 12 ASP N N 12 113.147 119.110 -5.963 1
1 127 . 10 1 1 A 12 12 ASP H H 12 8.506 8.849 -0.343 1
1 128 . 10 1 1 A 12 12 ASP CA C 12 55.100 56.328 -1.228 1
1 129 . 10 1 1 A 12 12 ASP HA H 12 4.054 4.351 -0.297 1
1 130 . 10 1 1 A 12 12 ASP CB C 12 38.734 40.785 -2.051 1
1 133 . 10 1 1 A 12 12 ASP C C 12 178.444 177.341 1.103 1
1 134 . 10 1 1 A 13 13 LEU N N 13 120.798 119.568 1.230 1
1 135 . 10 1 1 A 13 13 LEU H H 13 8.268 8.496 -0.228 1
1 136 . 10 1 1 A 13 13 LEU CA C 13 53.160 56.453 -3.293 1
1 137 . 10 1 1 A 13 13 LEU HA H 13 4.510 4.268 0.242 1
1 138 . 10 1 1 A 13 13 LEU CB C 13 42.040 43.676 -1.636 1
1 151 . 10 1 1 A 13 13 LEU C C 13 178.487 176.789 1.698 1
1 152 . 10 1 1 A 14 14 GLY N N 14 106.617 107.423 -0.806 1
1 153 . 10 1 1 A 14 14 GLY H H 14 7.978 7.990 -0.012 1
1 154 . 10 1 1 A 14 14 GLY CA C 14 44.441 44.889 -0.448 1
1 155 . 10 1 1 A 14 14 GLY HA3 H 14 3.380 4.067 -0.687 1
1 156 . 10 1 1 A 14 14 GLY HA2 H 14 4.168 4.067 0.101 1
1 157 . 10 1 1 A 14 14 GLY C C 14 174.619 174.414 0.205 1
1 158 . 10 1 1 A 15 15 ARG N N 15 116.828 119.971 -3.143 1
1 159 . 10 1 1 A 15 15 ARG H H 15 8.530 7.675 0.855 1
1 160 . 10 1 1 A 15 15 ARG CA C 15 54.284 56.254 -1.970 1
1 161 . 10 1 1 A 15 15 ARG HA H 15 5.202 4.371 0.831 1
1 162 . 10 1 1 A 15 15 ARG CB C 15 31.579 31.560 0.019 1
1 171 . 10 1 1 A 15 15 ARG C C 15 178.314 174.943 3.371 1
1 172 . 10 1 1 A 16 16 VAL N N 16 119.216 121.496 -2.280 1
1 173 . 10 1 1 A 16 16 VAL H H 16 8.481 8.504 -0.023 1
1 174 . 10 1 1 A 16 16 VAL CA C 16 58.123 61.486 -3.363 1
1 175 . 10 1 1 A 16 16 VAL HA H 16 4.494 4.467 0.027 1
1 176 . 10 1 1 A 16 16 VAL CB C 16 36.071 32.325 3.746 1
1 186 . 10 1 1 A 16 16 VAL C C 16 174.742 175.385 -0.643 1
1 187 . 10 1 1 A 17 17 VAL N N 17 125.420 127.783 -2.363 1
1 188 . 10 1 1 A 17 17 VAL H H 17 7.990 8.772 -0.782 1
1 189 . 10 1 1 A 17 17 VAL CA C 17 61.551 63.120 -1.569 1
1 190 . 10 1 1 A 17 17 VAL HA H 17 3.882 4.104 -0.222 1
1 191 . 10 1 1 A 17 17 VAL CB C 17 32.136 31.300 0.836 1
1 201 . 10 1 1 A 17 17 VAL C C 17 176.487 175.694 0.793 1
1 202 . 10 1 1 A 18 18 ILE N N 18 125.876 129.131 -3.255 1
1 203 . 10 1 1 A 18 18 ILE H H 18 8.527 8.784 -0.257 1
1 204 . 10 1 1 A 18 18 ILE CA C 18 56.210 58.276 -2.066 1
1 205 . 10 1 1 A 18 18 ILE HA H 18 4.332 4.667 -0.335 1
1 206 . 10 1 1 A 18 18 ILE CB C 18 35.827 38.421 -2.594 1
1 219 . 10 1 1 A 18 18 ILE C C 18 176.060 174.496 1.564 1
1 220 . 10 1 1 A 19 19 PRO CA C 19 62.944 63.239 -0.295 1
1 221 . 10 1 1 A 19 19 PRO HA H 19 4.549 4.529 0.020 1
1 222 . 10 1 1 A 19 19 PRO CB C 19 32.802 32.740 0.062 1
1 231 . 10 1 1 A 19 19 PRO C C 19 178.970 177.463 1.507 1
1 232 . 10 1 1 A 20 20 LYS N N 20 126.618 122.152 4.466 1
1 233 . 10 1 1 A 20 20 LYS H H 20 9.014 8.538 0.476 1
1 234 . 10 1 1 A 20 20 LYS CA C 20 59.765 58.677 1.088 1
1 235 . 10 1 1 A 20 20 LYS HA H 20 3.756 4.004 -0.248 1
1 236 . 10 1 1 A 20 20 LYS CB C 20 31.684 31.956 -0.272 1
1 247 . 10 1 1 A 20 20 LYS C C 20 179.313 177.876 1.437 1
1 248 . 10 1 1 A 21 21 GLU N N 21 117.455 120.849 -3.394 1
1 249 . 10 1 1 A 21 21 GLU H H 21 9.856 9.030 0.826 1
1 250 . 10 1 1 A 21 21 GLU CA C 21 59.771 58.907 0.864 1
1 251 . 10 1 1 A 21 21 GLU HA H 21 4.110 4.120 -0.010 1
1 252 . 10 1 1 A 21 21 GLU CB C 21 28.626 28.035 0.591 1
1 257 . 10 1 1 A 21 21 GLU C C 21 180.774 178.515 2.259 1
1 258 . 10 1 1 A 22 22 ILE N N 22 118.288 121.043 -2.755 1
1 259 . 10 1 1 A 22 22 ILE H H 22 7.074 7.472 -0.398 1
1 260 . 10 1 1 A 22 22 ILE CA C 22 63.046 64.315 -1.269 1
1 261 . 10 1 1 A 22 22 ILE HA H 22 3.849 3.932 -0.083 1
1 262 . 10 1 1 A 22 22 ILE CB C 22 36.466 37.909 -1.443 1
1 275 . 10 1 1 A 22 22 ILE C C 22 179.924 177.748 2.176 1
1 276 . 10 1 1 A 23 23 ARG N N 23 117.382 121.031 -3.649 1
1 277 . 10 1 1 A 23 23 ARG H H 23 7.830 8.217 -0.387 1
1 278 . 10 1 1 A 23 23 ARG CA C 23 60.379 59.219 1.160 1
1 279 . 10 1 1 A 23 23 ARG HA H 23 3.764 3.913 -0.149 1
1 280 . 10 1 1 A 23 23 ARG CB C 23 28.923 29.805 -0.882 1
1 288 . 10 1 1 A 23 23 ARG C C 23 180.110 178.296 1.814 1
1 289 . 10 1 1 A 24 24 ARG N N 24 115.785 120.212 -4.427 1
1 290 . 10 1 1 A 24 24 ARG H H 24 8.431 8.213 0.218 1
1 291 . 10 1 1 A 24 24 ARG CA C 24 58.531 59.093 -0.562 1
1 292 . 10 1 1 A 24 24 ARG HA H 24 4.183 4.032 0.151 1
1 293 . 10 1 1 A 24 24 ARG CB C 24 29.763 29.724 0.039 1
1 301 . 10 1 1 A 24 24 ARG C C 24 181.515 179.135 2.380 1
1 302 . 10 1 1 A 25 25 THR N N 25 115.618 115.758 -0.140 1
1 303 . 10 1 1 A 25 25 THR H H 25 7.733 7.921 -0.188 1
1 304 . 10 1 1 A 25 25 THR CA C 25 65.778 66.229 -0.451 1
1 305 . 10 1 1 A 25 25 THR HA H 25 3.994 4.041 -0.047 1
1 306 . 10 1 1 A 25 25 THR CB C 25 68.590 68.124 0.466 1
1 312 . 10 1 1 A 25 25 THR C C 25 177.350 177.029 0.321 1
1 313 . 10 1 1 A 26 26 LEU N N 26 117.244 120.708 -3.464 1
1 314 . 10 1 1 A 26 26 LEU H H 26 7.796 7.969 -0.173 1
1 315 . 10 1 1 A 26 26 LEU CA C 26 54.352 55.957 -1.605 1
1 316 . 10 1 1 A 26 26 LEU HA H 26 4.368 4.169 0.199 1
1 317 . 10 1 1 A 26 26 LEU CB C 26 42.330 42.074 0.256 1
1 329 . 10 1 1 A 26 26 LEU C C 26 177.163 176.674 0.489 1
1 330 . 10 1 1 A 27 27 ARG N N 27 116.574 118.587 -2.013 1
1 331 . 10 1 1 A 27 27 ARG H H 27 7.720 8.020 -0.300 1
1 332 . 10 1 1 A 27 27 ARG CA C 27 56.737 57.483 -0.746 1
1 333 . 10 1 1 A 27 27 ARG HA H 27 3.872 3.931 -0.059 1
1 334 . 10 1 1 A 27 27 ARG CB C 27 25.656 29.209 -3.553 1
1 340 . 10 1 1 A 27 27 ARG C C 27 176.893 174.746 2.147 1
1 341 . 10 1 1 A 28 28 ILE N N 28 116.788 119.371 -2.583 1
1 342 . 10 1 1 A 28 28 ILE H H 28 8.332 7.608 0.724 1
1 343 . 10 1 1 A 28 28 ILE CA C 28 60.527 59.849 0.678 1
1 344 . 10 1 1 A 28 28 ILE HA H 28 4.465 4.782 -0.317 1
1 345 . 10 1 1 A 28 28 ILE CB C 28 39.882 40.760 -0.878 1
1 356 . 10 1 1 A 28 28 ILE C C 28 176.976 174.727 2.249 1
1 357 . 10 1 1 A 29 29 ARG N N 29 128.150 121.102 7.048 1
1 358 . 10 1 1 A 29 29 ARG H H 29 9.187 9.046 0.141 1
1 359 . 10 1 1 A 29 29 ARG CA C 29 53.925 54.886 -0.961 1
1 360 . 10 1 1 A 29 29 ARG HA H 29 4.472 4.773 -0.301 1
1 361 . 10 1 1 A 29 29 ARG CB C 29 31.701 30.304 1.397 1
1 369 . 10 1 1 A 29 29 ARG C C 29 176.397 175.660 0.737 1
1 370 . 10 1 1 A 30 30 GLU N N 30 119.127 116.672 2.455 1
1 371 . 10 1 1 A 30 30 GLU H H 30 8.813 8.467 0.346 1
1 372 . 10 1 1 A 30 30 GLU CA C 30 58.715 56.483 2.232 1
1 373 . 10 1 1 A 30 30 GLU HA H 30 3.642 4.451 -0.809 1
1 374 . 10 1 1 A 30 30 GLU CB C 30 27.910 28.730 -0.820 1
1 379 . 10 1 1 A 30 30 GLU C C 30 178.085 176.595 1.490 1
1 380 . 10 1 1 A 31 31 GLY N N 31 113.446 108.204 5.242 1
1 381 . 10 1 1 A 31 31 GLY H H 31 8.365 8.096 0.269 1
1 382 . 10 1 1 A 31 31 GLY CA C 31 44.684 45.706 -1.022 1
1 383 . 10 1 1 A 31 31 GLY HA3 H 31 4.401 4.117 0.284 1
1 384 . 10 1 1 A 31 31 GLY HA2 H 31 3.749 4.116 -0.367 1
1 385 . 10 1 1 A 31 31 GLY C C 31 175.765 173.372 2.393 1
1 386 . 10 1 1 A 32 32 ASP N N 32 121.874 122.116 -0.242 1
1 387 . 10 1 1 A 32 32 ASP H H 32 8.288 7.706 0.582 1
1 388 . 10 1 1 A 32 32 ASP CA C 32 52.900 51.209 1.691 1
1 389 . 10 1 1 A 32 32 ASP HA H 32 4.973 4.997 -0.024 1
1 390 . 10 1 1 A 32 32 ASP CB C 32 39.908 42.052 -2.144 1
1 393 . 10 1 1 A 32 32 ASP C C 32 176.423 175.229 1.194 1
1 394 . 10 1 1 A 33 33 PRO CA C 33 61.096 62.506 -1.410 1
1 395 . 10 1 1 A 33 33 PRO HA H 33 4.774 4.743 0.031 1
1 396 . 10 1 1 A 33 33 PRO CB C 33 31.074 29.262 1.812 1
1 405 . 10 1 1 A 33 33 PRO C C 33 177.497 176.381 1.116 1
1 406 . 10 1 1 A 34 34 LEU N N 34 123.101 123.832 -0.731 1
1 407 . 10 1 1 A 34 34 LEU H H 34 9.067 7.367 1.700 1
1 408 . 10 1 1 A 34 34 LEU CA C 34 52.842 55.331 -2.489 1
1 409 . 10 1 1 A 34 34 LEU HA H 34 5.052 5.094 -0.042 1
1 410 . 10 1 1 A 34 34 LEU CB C 34 44.012 42.930 1.082 1
1 419 . 10 1 1 A 34 34 LEU C C 34 176.051 176.415 -0.364 1
1 420 . 10 1 1 A 35 35 GLU N N 35 122.921 122.737 0.184 1
1 421 . 10 1 1 A 35 35 GLU H H 35 9.535 8.856 0.679 1
1 422 . 10 1 1 A 35 35 GLU CA C 35 54.656 54.894 -0.238 1
1 423 . 10 1 1 A 35 35 GLU HA H 35 4.218 4.964 -0.746 1
1 424 . 10 1 1 A 35 35 GLU CB C 35 32.760 31.956 0.804 1
1 430 . 10 1 1 A 35 35 GLU C C 35 177.010 175.114 1.896 1
1 431 . 10 1 1 A 36 36 ILE N N 36 122.970 129.088 -6.118 1
1 432 . 10 1 1 A 36 36 ILE H H 36 8.514 8.701 -0.187 1
1 433 . 10 1 1 A 36 36 ILE CA C 36 60.838 60.631 0.207 1
1 434 . 10 1 1 A 36 36 ILE HA H 36 4.184 4.547 -0.363 1
1 435 . 10 1 1 A 36 36 ILE CB C 36 38.529 36.819 1.710 1
1 448 . 10 1 1 A 36 36 ILE C C 36 177.618 175.245 2.373 1
1 449 . 10 1 1 A 37 37 PHE N N 37 125.834 123.693 2.141 1
1 450 . 10 1 1 A 37 37 PHE H H 37 9.392 9.257 0.135 1
1 451 . 10 1 1 A 37 37 PHE CA C 37 55.662 55.742 -0.080 1
1 452 . 10 1 1 A 37 37 PHE HA H 37 5.087 5.297 -0.210 1
1 453 . 10 1 1 A 37 37 PHE CB C 37 42.260 41.833 0.427 1
1 456 . 10 1 1 A 37 37 PHE C C 37 175.006 172.735 2.271 1
1 457 . 10 1 1 A 38 38 VAL N N 38 116.642 124.520 -7.878 1
1 458 . 10 1 1 A 38 38 VAL H H 38 8.519 8.912 -0.393 1
1 459 . 10 1 1 A 38 38 VAL CA C 38 60.289 61.612 -1.323 1
1 460 . 10 1 1 A 38 38 VAL HA H 38 5.154 4.216 0.938 1
1 461 . 10 1 1 A 38 38 VAL CB C 38 34.258 32.509 1.749 1
1 471 . 10 1 1 A 38 38 VAL C C 38 177.654 175.363 2.291 1
1 472 . 10 1 1 A 39 39 ASP N N 39 124.423 128.109 -3.686 1
1 473 . 10 1 1 A 39 39 ASP H H 39 8.720 8.804 -0.084 1
1 474 . 10 1 1 A 39 39 ASP CA C 39 51.372 55.929 -4.557 1
1 475 . 10 1 1 A 39 39 ASP HA H 39 5.014 4.576 0.438 1
1 476 . 10 1 1 A 39 39 ASP CB C 39 42.446 41.989 0.457 1
1 479 . 10 1 1 A 39 39 ASP C C 39 178.788 176.970 1.818 1
1 480 . 10 1 1 A 40 40 ARG N N 40 117.971 117.214 0.757 1
1 481 . 10 1 1 A 40 40 ARG H H 40 8.601 7.964 0.637 1
1 482 . 10 1 1 A 40 40 ARG CA C 40 57.264 55.893 1.371 1
1 483 . 10 1 1 A 40 40 ARG HA H 40 4.174 4.609 -0.435 1
1 484 . 10 1 1 A 40 40 ARG CB C 40 29.007 31.119 -2.112 1
1 491 . 10 1 1 A 40 40 ARG C C 40 177.916 176.626 1.290 1
1 492 . 10 1 1 A 41 41 ASP N N 41 117.798 119.682 -1.884 1
1 493 . 10 1 1 A 41 41 ASP H H 41 8.138 8.345 -0.207 1
1 494 . 10 1 1 A 41 41 ASP CA C 41 53.578 55.598 -2.020 1
1 495 . 10 1 1 A 41 41 ASP HA H 41 4.723 4.780 -0.057 1
1 496 . 10 1 1 A 41 41 ASP CB C 41 39.947 42.197 -2.250 1
1 499 . 10 1 1 A 41 41 ASP C C 41 178.048 177.883 0.165 1
1 500 . 10 1 1 A 42 42 GLY N N 42 106.809 107.173 -0.364 1
1 501 . 10 1 1 A 42 42 GLY H H 42 8.125 7.898 0.227 1
1 502 . 10 1 1 A 42 42 GLY CA C 42 46.017 45.319 0.698 1
1 503 . 10 1 1 A 42 42 GLY HA3 H 42 4.156 4.033 0.123 1
1 504 . 10 1 1 A 42 42 GLY HA2 H 42 3.647 4.030 -0.383 1
1 505 . 10 1 1 A 42 42 GLY C C 42 174.932 173.369 1.563 1
1 506 . 10 1 1 A 43 43 GLU N N 43 116.783 119.887 -3.104 1
1 507 . 10 1 1 A 43 43 GLU H H 43 7.909 7.656 0.253 1
1 508 . 10 1 1 A 43 43 GLU CA C 43 53.603 55.566 -1.963 1
1 509 . 10 1 1 A 43 43 GLU HA H 43 4.741 4.507 0.234 1
1 510 . 10 1 1 A 43 43 GLU CB C 43 29.813 30.065 -0.252 1
1 516 . 10 1 1 A 43 43 GLU C C 43 176.455 175.103 1.352 1
1 517 . 10 1 1 A 44 44 VAL N N 44 120.785 125.972 -5.187 1
1 518 . 10 1 1 A 44 44 VAL H H 44 8.635 8.508 0.127 1
1 519 . 10 1 1 A 44 44 VAL CA C 44 61.231 62.124 -0.893 1
1 520 . 10 1 1 A 44 44 VAL HA H 44 4.503 4.401 0.102 1
1 521 . 10 1 1 A 44 44 VAL CB C 44 32.334 32.422 -0.088 1
1 531 . 10 1 1 A 44 44 VAL C C 44 175.366 175.476 -0.110 1
1 532 . 10 1 1 A 45 45 ILE N N 45 126.640 128.418 -1.778 1
1 533 . 10 1 1 A 45 45 ILE H H 45 8.972 9.287 -0.315 1
1 534 . 10 1 1 A 45 45 ILE CA C 45 59.456 59.493 -0.037 1
1 535 . 10 1 1 A 45 45 ILE HA H 45 4.889 4.763 0.126 1
1 536 . 10 1 1 A 45 45 ILE CB C 45 38.628 38.922 -0.294 1
1 549 . 10 1 1 A 45 45 ILE C C 45 176.485 174.662 1.823 1
1 550 . 10 1 1 A 46 46 LEU N N 46 123.557 128.424 -4.867 1
1 551 . 10 1 1 A 46 46 LEU H H 46 9.340 9.136 0.204 1
1 552 . 10 1 1 A 46 46 LEU CA C 46 52.946 53.211 -0.265 1
1 553 . 10 1 1 A 46 46 LEU HA H 46 5.384 6.189 -0.805 1
1 554 . 10 1 1 A 46 46 LEU CB C 46 42.721 42.655 0.066 1
1 564 . 10 1 1 A 46 46 LEU C C 46 177.393 175.912 1.481 1
1 565 . 10 1 1 A 47 47 LYS N N 47 119.462 123.966 -4.504 1
1 566 . 10 1 1 A 47 47 LYS H H 47 8.909 8.342 0.567 1
1 567 . 10 1 1 A 47 47 LYS CA C 47 53.220 54.464 -1.244 1
1 568 . 10 1 1 A 47 47 LYS HA H 47 4.959 4.887 0.072 1
1 569 . 10 1 1 A 47 47 LYS CB C 47 35.877 35.895 -0.018 1
1 578 . 10 1 1 A 48 48 LYS CA C 48 58.654 58.642 0.012 1
1 579 . 10 1 1 A 48 48 LYS HA H 48 4.251 4.440 -0.189 1
1 580 . 10 1 1 A 48 48 LYS CB C 48 31.479 31.840 -0.361 1
1 591 . 10 1 1 A 48 48 LYS C C 48 178.183 177.054 1.129 1
1 592 . 10 1 1 A 49 49 TYR N N 49 125.460 120.188 5.272 1
1 593 . 10 1 1 A 49 49 TYR H H 49 8.189 7.963 0.226 1
1 594 . 10 1 1 A 49 49 TYR CA C 49 57.281 59.572 -2.291 1
1 595 . 10 1 1 A 49 49 TYR HA H 49 4.762 4.573 0.189 1
1 596 . 10 1 1 A 49 49 TYR CB C 49 38.697 38.187 0.510 1
1 599 . 10 1 1 A 49 49 TYR C C 49 176.094 176.290 -0.196 1
1 600 . 10 1 1 A 50 50 SER N N 50 122.040 114.911 7.129 1
1 601 . 10 1 1 A 50 50 SER H H 50 8.045 8.698 -0.653 1
1 602 . 10 1 1 A 50 50 SER CA C 50 54.280 62.744 -8.464 1
1 603 . 10 1 1 A 50 50 SER HA H 50 4.635 3.775 0.860 1
1 604 . 10 1 1 A 50 50 SER CB C 50 62.402 62.160 0.242 1
1 607 . 10 1 1 A 51 51 PRO CA C 51 62.488 63.616 -1.128 1
1 608 . 10 1 1 A 51 51 PRO HA H 51 4.298 4.464 -0.166 1
1 609 . 10 1 1 A 51 51 PRO CB C 51 31.121 32.872 -1.751 1
1 616 . 10 1 1 A 51 51 PRO C C 51 178.546 177.404 1.142 1
1 617 . 10 1 1 A 52 52 ILE N N 52 118.973 118.002 0.971 1
1 618 . 10 1 1 A 52 52 ILE H H 52 7.963 8.437 -0.474 1
1 619 . 10 1 1 A 52 52 ILE CA C 52 60.234 63.276 -3.042 1
1 620 . 10 1 1 A 52 52 ILE HA H 52 4.198 3.880 0.318 1
1 621 . 10 1 1 A 52 52 ILE CB C 52 37.863 36.577 1.286 1
1 634 . 10 1 1 A 52 52 ILE C C 52 177.929 176.022 1.907 1
1 635 . 10 1 1 A 53 53 SER N N 53 118.194 121.714 -3.520 1
1 636 . 10 1 1 A 53 53 SER H H 53 8.203 8.572 -0.369 1
1 637 . 10 1 1 A 53 53 SER CA C 53 57.318 56.831 0.487 1
1 638 . 10 1 1 A 53 53 SER HA H 53 4.480 4.555 -0.075 1
1 639 . 10 1 1 A 53 53 SER CB C 53 63.124 61.190 1.934 1
1 641 . 10 1 1 A 53 53 SER C C 53 175.932 174.029 1.903 1
1 642 . 10 1 1 A 54 54 GLU N N 54 122.542 119.129 3.413 1
1 643 . 10 1 1 A 54 54 GLU H H 54 8.347 8.775 -0.428 1
1 644 . 10 1 1 A 54 54 GLU CA C 54 55.560 57.624 -2.064 1
1 645 . 10 1 1 A 54 54 GLU HA H 54 4.387 3.994 0.393 1
1 646 . 10 1 1 A 54 54 GLU CB C 54 29.438 28.669 0.769 1
1 651 . 10 1 1 A 54 54 GLU C C 54 176.980 175.259 1.721 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 51 1.828 1
2 1 1 1 "RMS(OBS, PRED)" CA 53 2.084 1
3 1 1 1 "RMS(OBS, PRED)" CB 49 1.284 1
4 1 1 1 "RMS(OBS, PRED)" H 48 0.511 1
5 1 1 1 "RMS(OBS, PRED)" HA 57 0.386 1
6 1 1 1 "RMS(OBS, PRED)" N 48 4.119 1
7 1 2 1 "RMS(OBS, PRED)" C 51 1.798 1
8 1 2 1 "RMS(OBS, PRED)" CA 53 2.157 1
9 1 2 1 "RMS(OBS, PRED)" CB 49 1.488 1
10 1 2 1 "RMS(OBS, PRED)" H 48 0.429 1
11 1 2 1 "RMS(OBS, PRED)" HA 57 0.403 1
12 1 2 1 "RMS(OBS, PRED)" N 48 3.998 1
13 1 3 1 "RMS(OBS, PRED)" C 51 1.889 1
14 1 3 1 "RMS(OBS, PRED)" CA 53 2.159 1
15 1 3 1 "RMS(OBS, PRED)" CB 49 1.412 1
16 1 3 1 "RMS(OBS, PRED)" H 48 0.450 1
17 1 3 1 "RMS(OBS, PRED)" HA 57 0.394 1
18 1 3 1 "RMS(OBS, PRED)" N 48 3.932 1
19 1 4 1 "RMS(OBS, PRED)" C 51 1.751 1
20 1 4 1 "RMS(OBS, PRED)" CA 53 2.246 1
21 1 4 1 "RMS(OBS, PRED)" CB 49 1.392 1
22 1 4 1 "RMS(OBS, PRED)" H 48 0.513 1
23 1 4 1 "RMS(OBS, PRED)" HA 57 0.368 1
24 1 4 1 "RMS(OBS, PRED)" N 48 4.145 1
25 1 5 1 "RMS(OBS, PRED)" C 51 1.871 1
26 1 5 1 "RMS(OBS, PRED)" CA 53 2.134 1
27 1 5 1 "RMS(OBS, PRED)" CB 49 1.427 1
28 1 5 1 "RMS(OBS, PRED)" H 48 0.440 1
29 1 5 1 "RMS(OBS, PRED)" HA 57 0.390 1
30 1 5 1 "RMS(OBS, PRED)" N 48 4.016 1
31 1 6 1 "RMS(OBS, PRED)" C 51 1.826 1
32 1 6 1 "RMS(OBS, PRED)" CA 53 2.211 1
33 1 6 1 "RMS(OBS, PRED)" CB 49 1.348 1
34 1 6 1 "RMS(OBS, PRED)" H 48 0.417 1
35 1 6 1 "RMS(OBS, PRED)" HA 57 0.387 1
36 1 6 1 "RMS(OBS, PRED)" N 48 4.026 1
37 1 7 1 "RMS(OBS, PRED)" C 51 1.778 1
38 1 7 1 "RMS(OBS, PRED)" CA 53 2.231 1
39 1 7 1 "RMS(OBS, PRED)" CB 49 1.521 1
40 1 7 1 "RMS(OBS, PRED)" H 48 0.539 1
41 1 7 1 "RMS(OBS, PRED)" HA 57 0.379 1
42 1 7 1 "RMS(OBS, PRED)" N 48 4.018 1
43 1 8 1 "RMS(OBS, PRED)" C 51 1.814 1
44 1 8 1 "RMS(OBS, PRED)" CA 53 2.235 1
45 1 8 1 "RMS(OBS, PRED)" CB 49 1.276 1
46 1 8 1 "RMS(OBS, PRED)" H 48 0.558 1
47 1 8 1 "RMS(OBS, PRED)" HA 57 0.392 1
48 1 8 1 "RMS(OBS, PRED)" N 48 3.988 1
49 1 9 1 "RMS(OBS, PRED)" C 51 1.800 1
50 1 9 1 "RMS(OBS, PRED)" CA 53 2.158 1
51 1 9 1 "RMS(OBS, PRED)" CB 49 1.276 1
52 1 9 1 "RMS(OBS, PRED)" H 48 0.542 1
53 1 9 1 "RMS(OBS, PRED)" HA 57 0.369 1
54 1 9 1 "RMS(OBS, PRED)" N 48 4.144 1
55 1 10 1 "RMS(OBS, PRED)" C 51 1.804 1
56 1 10 1 "RMS(OBS, PRED)" CA 53 2.148 1
57 1 10 1 "RMS(OBS, PRED)" CB 49 1.423 1
58 1 10 1 "RMS(OBS, PRED)" H 48 0.498 1
59 1 10 1 "RMS(OBS, PRED)" HA 57 0.388 1
60 1 10 1 "RMS(OBS, PRED)" N 48 4.045 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 3 . 1 1 A 2 2 LYS CA C 2 55.606 56.203 -0.597 2
1 4 . 1 1 A 2 2 LYS HA H 2 4.540 4.438 0.102 2
1 5 . 1 1 A 2 2 LYS CB C 2 32.447 33.055 -0.608 2
1 13 . 1 1 A 2 2 LYS C C 2 177.204 175.713 1.491 2
1 14 . 1 1 A 3 3 ALA N N 3 126.109 121.191 4.918 2
1 15 . 1 1 A 3 3 ALA H H 3 8.553 8.495 0.058 2
1 16 . 1 1 A 3 3 ALA CA C 3 52.218 53.105 -0.887 2
1 17 . 1 1 A 3 3 ALA HA H 3 4.342 4.042 0.300 2
1 18 . 1 1 A 3 3 ALA CB C 3 19.245 17.792 1.453 2
1 22 . 1 1 A 3 3 ALA C C 3 179.308 177.931 1.377 2
1 23 . 1 1 A 4 4 THR N N 4 112.465 113.974 -1.509 2
1 24 . 1 1 A 4 4 THR H H 4 8.078 8.268 -0.190 2
1 25 . 1 1 A 4 4 THR CA C 4 61.583 62.576 -0.993 2
1 26 . 1 1 A 4 4 THR HA H 4 4.420 4.487 -0.067 2
1 27 . 1 1 A 4 4 THR CB C 4 69.460 70.539 -1.079 2
1 33 . 1 1 A 4 4 THR C C 4 173.474 175.855 -2.381 2
1 34 . 1 1 A 5 5 GLY N N 5 111.771 111.296 0.475 2
1 35 . 1 1 A 5 5 GLY H H 5 9.037 8.194 0.843 2
1 36 . 1 1 A 5 5 GLY CA C 5 44.687 46.803 -2.116 2
1 37 . 1 1 A 5 5 GLY HA3 H 5 4.058 3.935 0.123 2
1 38 . 1 1 A 5 5 GLY HA2 H 5 3.623 3.933 -0.310 2
1 39 . 1 1 A 5 5 GLY C C 5 174.756 174.569 0.187 2
1 40 . 1 1 A 6 6 ILE N N 6 121.234 120.980 0.254 2
1 41 . 1 1 A 6 6 ILE H H 6 8.287 7.736 0.551 2
1 42 . 1 1 A 6 6 ILE CA C 6 60.578 60.184 0.394 2
1 43 . 1 1 A 6 6 ILE HA H 6 4.132 4.564 -0.432 2
1 44 . 1 1 A 6 6 ILE CB C 6 38.785 39.772 -0.987 2
1 57 . 1 1 A 6 6 ILE C C 6 176.395 174.435 1.960 2
1 58 . 1 1 A 7 7 VAL N N 7 126.096 130.945 -4.849 2
1 59 . 1 1 A 7 7 VAL H H 7 8.237 8.795 -0.558 2
1 60 . 1 1 A 7 7 VAL CA C 7 60.516 62.629 -2.113 2
1 61 . 1 1 A 7 7 VAL HA H 7 5.002 4.217 0.785 2
1 62 . 1 1 A 7 7 VAL CB C 7 32.807 32.171 0.636 2
1 72 . 1 1 A 7 7 VAL C C 7 179.140 174.972 4.168 2
1 73 . 1 1 A 8 8 ARG N N 8 127.158 128.086 -0.928 2
1 74 . 1 1 A 8 8 ARG H H 8 9.070 8.907 0.163 2
1 75 . 1 1 A 8 8 ARG CA C 8 52.551 54.441 -1.890 2
1 76 . 1 1 A 8 8 ARG HA H 8 4.805 5.059 -0.254 2
1 77 . 1 1 A 8 8 ARG CB C 8 34.444 33.597 0.846 2
1 86 . 1 1 A 8 8 ARG C C 8 176.302 174.642 1.660 2
1 87 . 1 1 A 9 9 ARG N N 9 118.729 127.954 -9.225 2
1 88 . 1 1 A 9 9 ARG H H 9 8.630 8.639 -0.009 2
1 89 . 1 1 A 9 9 ARG CA C 9 54.299 56.004 -1.705 2
1 90 . 1 1 A 9 9 ARG HA H 9 5.115 4.514 0.601 2
1 91 . 1 1 A 9 9 ARG CB C 9 31.277 29.993 1.284 2
1 99 . 1 1 A 9 9 ARG C C 9 178.367 176.588 1.779 2
1 100 . 1 1 A 10 10 ILE N N 10 122.469 125.594 -3.125 2
1 101 . 1 1 A 10 10 ILE H H 10 7.962 8.316 -0.354 2
1 102 . 1 1 A 10 10 ILE CA C 10 58.715 64.380 -5.665 2
1 103 . 1 1 A 10 10 ILE HA H 10 4.541 4.082 0.459 2
1 104 . 1 1 A 10 10 ILE CB C 10 39.300 37.610 1.690 2
1 117 . 1 1 A 10 10 ILE C C 10 177.681 175.238 2.443 2
1 118 . 1 1 A 11 11 ASP N N 11 127.298 119.881 7.417 2
1 119 . 1 1 A 11 11 ASP H H 11 8.557 7.878 0.679 2
1 120 . 1 1 A 11 11 ASP CA C 11 52.440 53.267 -0.827 2
1 121 . 1 1 A 11 11 ASP HA H 11 4.889 4.762 0.127 2
1 122 . 1 1 A 11 11 ASP CB C 11 40.972 41.669 -0.697 2
1 125 . 1 1 A 11 11 ASP C C 11 178.929 175.545 3.384 2
1 126 . 1 1 A 12 12 ASP N N 12 113.147 118.118 -4.971 2
1 127 . 1 1 A 12 12 ASP H H 12 8.506 8.887 -0.381 2
1 128 . 1 1 A 12 12 ASP CA C 12 55.100 56.004 -0.904 2
1 129 . 1 1 A 12 12 ASP HA H 12 4.054 4.447 -0.393 2
1 130 . 1 1 A 12 12 ASP CB C 12 38.734 40.517 -1.783 2
1 133 . 1 1 A 12 12 ASP C C 12 178.444 177.180 1.264 2
1 134 . 1 1 A 13 13 LEU N N 13 120.798 119.528 1.271 2
1 135 . 1 1 A 13 13 LEU H H 13 8.268 8.299 -0.031 2
1 136 . 1 1 A 13 13 LEU CA C 13 53.160 56.569 -3.409 2
1 137 . 1 1 A 13 13 LEU HA H 13 4.510 4.416 0.094 2
1 138 . 1 1 A 13 13 LEU CB C 13 42.040 44.120 -2.080 2
1 151 . 1 1 A 13 13 LEU C C 13 178.487 176.787 1.700 2
1 152 . 1 1 A 14 14 GLY N N 14 106.617 107.489 -0.872 2
1 153 . 1 1 A 14 14 GLY H H 14 7.978 8.275 -0.297 2
1 154 . 1 1 A 14 14 GLY CA C 14 44.441 44.880 -0.439 2
1 155 . 1 1 A 14 14 GLY HA3 H 14 3.380 4.059 -0.679 2
1 156 . 1 1 A 14 14 GLY HA2 H 14 4.168 4.059 0.109 2
1 157 . 1 1 A 14 14 GLY C C 14 174.619 174.446 0.173 2
1 158 . 1 1 A 15 15 ARG N N 15 116.828 120.110 -3.282 2
1 159 . 1 1 A 15 15 ARG H H 15 8.530 7.740 0.790 2
1 160 . 1 1 A 15 15 ARG CA C 15 54.284 56.361 -2.077 2
1 161 . 1 1 A 15 15 ARG HA H 15 5.202 4.351 0.851 2
1 162 . 1 1 A 15 15 ARG CB C 15 31.579 31.521 0.058 2
1 171 . 1 1 A 15 15 ARG C C 15 178.314 175.196 3.118 2
1 172 . 1 1 A 16 16 VAL N N 16 119.216 121.162 -1.946 2
1 173 . 1 1 A 16 16 VAL H H 16 8.481 8.560 -0.079 2
1 174 . 1 1 A 16 16 VAL CA C 16 58.123 61.324 -3.201 2
1 175 . 1 1 A 16 16 VAL HA H 16 4.494 4.531 -0.037 2
1 176 . 1 1 A 16 16 VAL CB C 16 36.071 32.450 3.621 2
1 186 . 1 1 A 16 16 VAL C C 16 174.742 175.047 -0.305 2
1 187 . 1 1 A 17 17 VAL N N 17 125.420 127.989 -2.569 2
1 188 . 1 1 A 17 17 VAL H H 17 7.990 8.717 -0.727 2
1 189 . 1 1 A 17 17 VAL CA C 17 61.551 63.130 -1.579 2
1 190 . 1 1 A 17 17 VAL HA H 17 3.882 4.130 -0.248 2
1 191 . 1 1 A 17 17 VAL CB C 17 32.136 31.155 0.981 2
1 201 . 1 1 A 17 17 VAL C C 17 176.487 175.608 0.879 2
1 202 . 1 1 A 18 18 ILE N N 18 125.876 128.963 -3.087 2
1 203 . 1 1 A 18 18 ILE H H 18 8.527 8.533 -0.006 2
1 204 . 1 1 A 18 18 ILE CA C 18 56.210 58.258 -2.047 2
1 205 . 1 1 A 18 18 ILE HA H 18 4.332 4.603 -0.271 2
1 206 . 1 1 A 18 18 ILE CB C 18 35.827 38.402 -2.575 2
1 219 . 1 1 A 18 18 ILE C C 18 176.060 174.464 1.596 2
1 220 . 1 1 A 19 19 PRO CA C 19 62.944 63.045 -0.101 2
1 221 . 1 1 A 19 19 PRO HA H 19 4.549 4.531 0.018 2
1 222 . 1 1 A 19 19 PRO CB C 19 32.802 32.750 0.052 2
1 231 . 1 1 A 19 19 PRO C C 19 178.970 177.438 1.532 2
1 232 . 1 1 A 20 20 LYS N N 20 126.618 121.878 4.740 2
1 233 . 1 1 A 20 20 LYS H H 20 9.014 8.496 0.517 2
1 234 . 1 1 A 20 20 LYS CA C 20 59.765 58.651 1.114 2
1 235 . 1 1 A 20 20 LYS HA H 20 3.756 3.996 -0.240 2
1 236 . 1 1 A 20 20 LYS CB C 20 31.684 31.939 -0.255 2
1 247 . 1 1 A 20 20 LYS C C 20 179.313 177.885 1.428 2
1 248 . 1 1 A 21 21 GLU N N 21 117.455 120.740 -3.285 2
1 249 . 1 1 A 21 21 GLU H H 21 9.856 8.934 0.922 2
1 250 . 1 1 A 21 21 GLU CA C 21 59.771 58.783 0.988 2
1 251 . 1 1 A 21 21 GLU HA H 21 4.110 4.117 -0.007 2
1 252 . 1 1 A 21 21 GLU CB C 21 28.626 28.050 0.576 2
1 257 . 1 1 A 21 21 GLU C C 21 180.774 178.513 2.261 2
1 258 . 1 1 A 22 22 ILE N N 22 118.288 120.811 -2.523 2
1 259 . 1 1 A 22 22 ILE H H 22 7.074 7.416 -0.342 2
1 260 . 1 1 A 22 22 ILE CA C 22 63.046 64.391 -1.345 2
1 261 . 1 1 A 22 22 ILE HA H 22 3.849 3.918 -0.069 2
1 262 . 1 1 A 22 22 ILE CB C 22 36.466 37.942 -1.476 2
1 275 . 1 1 A 22 22 ILE C C 22 179.924 177.833 2.091 2
1 276 . 1 1 A 23 23 ARG N N 23 117.382 121.177 -3.796 2
1 277 . 1 1 A 23 23 ARG H H 23 7.830 8.136 -0.306 2
1 278 . 1 1 A 23 23 ARG CA C 23 60.379 59.153 1.226 2
1 279 . 1 1 A 23 23 ARG HA H 23 3.764 3.924 -0.160 2
1 280 . 1 1 A 23 23 ARG CB C 23 28.923 29.798 -0.875 2
1 288 . 1 1 A 23 23 ARG C C 23 180.110 178.287 1.823 2
1 289 . 1 1 A 24 24 ARG N N 24 115.785 119.898 -4.113 2
1 290 . 1 1 A 24 24 ARG H H 24 8.431 8.306 0.125 2
1 291 . 1 1 A 24 24 ARG CA C 24 58.531 59.162 -0.631 2
1 292 . 1 1 A 24 24 ARG HA H 24 4.183 4.049 0.134 2
1 293 . 1 1 A 24 24 ARG CB C 24 29.763 29.722 0.041 2
1 301 . 1 1 A 24 24 ARG C C 24 181.515 179.124 2.391 2
1 302 . 1 1 A 25 25 THR N N 25 115.618 115.862 -0.244 2
1 303 . 1 1 A 25 25 THR H H 25 7.733 7.965 -0.232 2
1 304 . 1 1 A 25 25 THR CA C 25 65.778 66.326 -0.548 2
1 305 . 1 1 A 25 25 THR HA H 25 3.994 4.034 -0.040 2
1 306 . 1 1 A 25 25 THR CB C 25 68.590 68.138 0.452 2
1 312 . 1 1 A 25 25 THR C C 25 177.350 176.928 0.422 2
1 313 . 1 1 A 26 26 LEU N N 26 117.244 120.450 -3.206 2
1 314 . 1 1 A 26 26 LEU H H 26 7.796 7.864 -0.068 2
1 315 . 1 1 A 26 26 LEU CA C 26 54.352 55.838 -1.486 2
1 316 . 1 1 A 26 26 LEU HA H 26 4.368 4.172 0.196 2
1 317 . 1 1 A 26 26 LEU CB C 26 42.330 41.995 0.335 2
1 329 . 1 1 A 26 26 LEU C C 26 177.163 176.439 0.725 2
1 330 . 1 1 A 27 27 ARG N N 27 116.574 116.739 -0.165 2
1 331 . 1 1 A 27 27 ARG H H 27 7.720 7.870 -0.150 2
1 332 . 1 1 A 27 27 ARG CA C 27 56.737 57.447 -0.710 2
1 333 . 1 1 A 27 27 ARG HA H 27 3.872 3.901 -0.029 2
1 334 . 1 1 A 27 27 ARG CB C 27 25.656 27.421 -1.765 2
1 340 . 1 1 A 27 27 ARG C C 27 176.893 174.793 2.100 2
1 341 . 1 1 A 28 28 ILE N N 28 116.788 118.416 -1.628 2
1 342 . 1 1 A 28 28 ILE H H 28 8.332 7.646 0.686 2
1 343 . 1 1 A 28 28 ILE CA C 28 60.527 59.793 0.734 2
1 344 . 1 1 A 28 28 ILE HA H 28 4.465 4.790 -0.325 2
1 345 . 1 1 A 28 28 ILE CB C 28 39.882 40.787 -0.905 2
1 356 . 1 1 A 28 28 ILE C C 28 176.976 174.642 2.334 2
1 357 . 1 1 A 29 29 ARG N N 29 128.150 120.952 7.198 2
1 358 . 1 1 A 29 29 ARG H H 29 9.187 8.931 0.256 2
1 359 . 1 1 A 29 29 ARG CA C 29 53.925 54.819 -0.894 2
1 360 . 1 1 A 29 29 ARG HA H 29 4.472 4.767 -0.295 2
1 361 . 1 1 A 29 29 ARG CB C 29 31.701 30.690 1.011 2
1 369 . 1 1 A 29 29 ARG C C 29 176.397 175.688 0.709 2
1 370 . 1 1 A 30 30 GLU N N 30 119.127 116.581 2.546 2
1 371 . 1 1 A 30 30 GLU H H 30 8.813 8.425 0.389 2
1 372 . 1 1 A 30 30 GLU CA C 30 58.715 56.566 2.149 2
1 373 . 1 1 A 30 30 GLU HA H 30 3.642 4.440 -0.798 2
1 374 . 1 1 A 30 30 GLU CB C 30 27.910 28.727 -0.817 2
1 379 . 1 1 A 30 30 GLU C C 30 178.085 176.627 1.458 2
1 380 . 1 1 A 31 31 GLY N N 31 113.446 107.876 5.570 2
1 381 . 1 1 A 31 31 GLY H H 31 8.365 8.173 0.192 2
1 382 . 1 1 A 31 31 GLY CA C 31 44.684 45.714 -1.030 2
1 383 . 1 1 A 31 31 GLY HA3 H 31 4.401 4.122 0.279 2
1 384 . 1 1 A 31 31 GLY HA2 H 31 3.749 4.121 -0.372 2
1 385 . 1 1 A 31 31 GLY C C 31 175.765 173.513 2.252 2
1 386 . 1 1 A 32 32 ASP N N 32 121.874 122.220 -0.346 2
1 387 . 1 1 A 32 32 ASP H H 32 8.288 7.675 0.614 2
1 388 . 1 1 A 32 32 ASP CA C 32 52.900 51.535 1.365 2
1 389 . 1 1 A 32 32 ASP HA H 32 4.973 4.992 -0.020 2
1 390 . 1 1 A 32 32 ASP CB C 32 39.908 41.870 -1.962 2
1 393 . 1 1 A 32 32 ASP C C 32 176.423 175.054 1.369 2
1 394 . 1 1 A 33 33 PRO CA C 33 61.096 62.543 -1.447 2
1 395 . 1 1 A 33 33 PRO HA H 33 4.774 4.833 -0.059 2
1 396 . 1 1 A 33 33 PRO CB C 33 31.074 31.142 -0.068 2
1 405 . 1 1 A 33 33 PRO C C 33 177.497 176.158 1.339 2
1 406 . 1 1 A 34 34 LEU N N 34 123.101 122.912 0.189 2
1 407 . 1 1 A 34 34 LEU H H 34 9.067 7.940 1.127 2
1 408 . 1 1 A 34 34 LEU CA C 34 52.842 54.264 -1.422 2
1 409 . 1 1 A 34 34 LEU HA H 34 5.052 5.332 -0.280 2
1 410 . 1 1 A 34 34 LEU CB C 34 44.012 44.639 -0.627 2
1 419 . 1 1 A 34 34 LEU C C 34 176.051 175.764 0.287 2
1 420 . 1 1 A 35 35 GLU N N 35 122.921 123.070 -0.149 2
1 421 . 1 1 A 35 35 GLU H H 35 9.535 9.057 0.478 2
1 422 . 1 1 A 35 35 GLU CA C 35 54.656 54.982 -0.326 2
1 423 . 1 1 A 35 35 GLU HA H 35 4.218 4.931 -0.713 2
1 424 . 1 1 A 35 35 GLU CB C 35 32.760 31.441 1.319 2
1 430 . 1 1 A 35 35 GLU C C 35 177.010 175.166 1.844 2
1 431 . 1 1 A 36 36 ILE N N 36 122.970 128.851 -5.881 2
1 432 . 1 1 A 36 36 ILE H H 36 8.514 8.721 -0.207 2
1 433 . 1 1 A 36 36 ILE CA C 36 60.838 60.504 0.334 2
1 434 . 1 1 A 36 36 ILE HA H 36 4.184 4.594 -0.410 2
1 435 . 1 1 A 36 36 ILE CB C 36 38.529 36.811 1.718 2
1 448 . 1 1 A 36 36 ILE C C 36 177.618 175.248 2.370 2
1 449 . 1 1 A 37 37 PHE N N 37 125.834 123.603 2.231 2
1 450 . 1 1 A 37 37 PHE H H 37 9.392 9.142 0.250 2
1 451 . 1 1 A 37 37 PHE CA C 37 55.662 55.823 -0.161 2
1 452 . 1 1 A 37 37 PHE HA H 37 5.087 5.305 -0.218 2
1 453 . 1 1 A 37 37 PHE CB C 37 42.260 41.830 0.430 2
1 456 . 1 1 A 37 37 PHE C C 37 175.006 172.666 2.340 2
1 457 . 1 1 A 38 38 VAL N N 38 116.642 124.267 -7.625 2
1 458 . 1 1 A 38 38 VAL H H 38 8.519 8.921 -0.402 2
1 459 . 1 1 A 38 38 VAL CA C 38 60.289 61.610 -1.321 2
1 460 . 1 1 A 38 38 VAL HA H 38 5.154 4.347 0.807 2
1 461 . 1 1 A 38 38 VAL CB C 38 34.258 32.474 1.784 2
1 471 . 1 1 A 38 38 VAL C C 38 177.654 175.606 2.048 2
1 472 . 1 1 A 39 39 ASP N N 39 124.423 128.381 -3.958 2
1 473 . 1 1 A 39 39 ASP H H 39 8.720 8.960 -0.240 2
1 474 . 1 1 A 39 39 ASP CA C 39 51.372 56.342 -4.970 2
1 475 . 1 1 A 39 39 ASP HA H 39 5.014 4.570 0.444 2
1 476 . 1 1 A 39 39 ASP CB C 39 42.446 41.696 0.750 2
1 479 . 1 1 A 39 39 ASP C C 39 178.788 176.949 1.839 2
1 480 . 1 1 A 40 40 ARG N N 40 117.971 116.338 1.633 2
1 481 . 1 1 A 40 40 ARG H H 40 8.601 7.975 0.626 2
1 482 . 1 1 A 40 40 ARG CA C 40 57.264 56.296 0.968 2
1 483 . 1 1 A 40 40 ARG HA H 40 4.174 4.556 -0.382 2
1 484 . 1 1 A 40 40 ARG CB C 40 29.007 31.300 -2.293 2
1 491 . 1 1 A 40 40 ARG C C 40 177.916 176.675 1.241 2
1 492 . 1 1 A 41 41 ASP N N 41 117.798 119.576 -1.778 2
1 493 . 1 1 A 41 41 ASP H H 41 8.138 8.242 -0.104 2
1 494 . 1 1 A 41 41 ASP CA C 41 53.578 55.900 -2.322 2
1 495 . 1 1 A 41 41 ASP HA H 41 4.723 4.717 0.006 2
1 496 . 1 1 A 41 41 ASP CB C 41 39.947 41.993 -2.046 2
1 499 . 1 1 A 41 41 ASP C C 41 178.048 177.451 0.597 2
1 500 . 1 1 A 42 42 GLY N N 42 106.809 106.350 0.458 2
1 501 . 1 1 A 42 42 GLY H H 42 8.125 7.896 0.229 2
1 502 . 1 1 A 42 42 GLY CA C 42 46.017 45.417 0.599 2
1 503 . 1 1 A 42 42 GLY HA3 H 42 4.156 4.042 0.114 2
1 504 . 1 1 A 42 42 GLY HA2 H 42 3.647 4.039 -0.392 2
1 505 . 1 1 A 42 42 GLY C C 42 174.932 173.482 1.450 2
1 506 . 1 1 A 43 43 GLU N N 43 116.783 119.662 -2.879 2
1 507 . 1 1 A 43 43 GLU H H 43 7.909 7.662 0.247 2
1 508 . 1 1 A 43 43 GLU CA C 43 53.603 55.578 -1.976 2
1 509 . 1 1 A 43 43 GLU HA H 43 4.741 4.493 0.248 2
1 510 . 1 1 A 43 43 GLU CB C 43 29.813 30.068 -0.255 2
1 516 . 1 1 A 43 43 GLU C C 43 176.455 175.270 1.185 2
1 517 . 1 1 A 44 44 VAL N N 44 120.785 125.935 -5.150 2
1 518 . 1 1 A 44 44 VAL H H 44 8.635 8.516 0.119 2
1 519 . 1 1 A 44 44 VAL CA C 44 61.231 62.190 -0.959 2
1 520 . 1 1 A 44 44 VAL HA H 44 4.503 4.382 0.121 2
1 521 . 1 1 A 44 44 VAL CB C 44 32.334 32.388 -0.054 2
1 531 . 1 1 A 44 44 VAL C C 44 175.366 175.421 -0.055 2
1 532 . 1 1 A 45 45 ILE N N 45 126.640 128.540 -1.900 2
1 533 . 1 1 A 45 45 ILE H H 45 8.972 9.319 -0.347 2
1 534 . 1 1 A 45 45 ILE CA C 45 59.456 59.508 -0.052 2
1 535 . 1 1 A 45 45 ILE HA H 45 4.889 4.745 0.144 2
1 536 . 1 1 A 45 45 ILE CB C 45 38.628 38.758 -0.130 2
1 549 . 1 1 A 45 45 ILE C C 45 176.485 174.618 1.867 2
1 550 . 1 1 A 46 46 LEU N N 46 123.557 128.327 -4.770 2
1 551 . 1 1 A 46 46 LEU H H 46 9.340 9.083 0.257 2
1 552 . 1 1 A 46 46 LEU CA C 46 52.946 53.340 -0.393 2
1 553 . 1 1 A 46 46 LEU HA H 46 5.384 6.047 -0.663 2
1 554 . 1 1 A 46 46 LEU CB C 46 42.721 42.794 -0.074 2
1 564 . 1 1 A 46 46 LEU C C 46 177.393 175.686 1.707 2
1 565 . 1 1 A 47 47 LYS N N 47 119.462 125.020 -5.558 2
1 566 . 1 1 A 47 47 LYS H H 47 8.909 8.525 0.384 2
1 567 . 1 1 A 47 47 LYS CA C 47 53.220 54.493 -1.273 2
1 568 . 1 1 A 47 47 LYS HA H 47 4.959 4.917 0.042 2
1 569 . 1 1 A 47 47 LYS CB C 47 35.877 35.747 0.130 2
1 578 . 1 1 A 48 48 LYS CA C 48 58.654 58.634 0.020 2
1 579 . 1 1 A 48 48 LYS HA H 48 4.251 4.533 -0.282 2
1 580 . 1 1 A 48 48 LYS CB C 48 31.479 31.944 -0.465 2
1 591 . 1 1 A 48 48 LYS C C 48 178.183 177.069 1.114 2
1 592 . 1 1 A 49 49 TYR N N 49 125.460 120.336 5.124 2
1 593 . 1 1 A 49 49 TYR H H 49 8.189 8.050 0.139 2
1 594 . 1 1 A 49 49 TYR CA C 49 57.281 59.575 -2.294 2
1 595 . 1 1 A 49 49 TYR HA H 49 4.762 4.579 0.183 2
1 596 . 1 1 A 49 49 TYR CB C 49 38.697 38.184 0.513 2
1 599 . 1 1 A 49 49 TYR C C 49 176.094 176.416 -0.322 2
1 600 . 1 1 A 50 50 SER N N 50 122.040 114.877 7.163 2
1 601 . 1 1 A 50 50 SER H H 50 8.045 8.958 -0.913 2
1 602 . 1 1 A 50 50 SER CA C 50 54.280 62.776 -8.496 2
1 603 . 1 1 A 50 50 SER HA H 50 4.635 3.832 0.803 2
1 604 . 1 1 A 50 50 SER CB C 50 62.402 62.093 0.309 2
1 607 . 1 1 A 51 51 PRO CA C 51 62.488 63.578 -1.090 2
1 608 . 1 1 A 51 51 PRO HA H 51 4.298 4.487 -0.190 2
1 609 . 1 1 A 51 51 PRO CB C 51 31.121 32.786 -1.665 2
1 616 . 1 1 A 51 51 PRO C C 51 178.546 177.327 1.219 2
1 617 . 1 1 A 52 52 ILE N N 52 118.973 117.984 0.989 2
1 618 . 1 1 A 52 52 ILE H H 52 7.963 8.440 -0.477 2
1 619 . 1 1 A 52 52 ILE CA C 52 60.234 63.366 -3.132 2
1 620 . 1 1 A 52 52 ILE HA H 52 4.198 3.887 0.311 2
1 621 . 1 1 A 52 52 ILE CB C 52 37.863 36.643 1.220 2
1 634 . 1 1 A 52 52 ILE C C 52 177.929 175.917 2.012 2
1 635 . 1 1 A 53 53 SER N N 53 118.194 122.121 -3.927 2
1 636 . 1 1 A 53 53 SER H H 53 8.203 8.598 -0.395 2
1 637 . 1 1 A 53 53 SER CA C 53 57.318 58.185 -0.867 2
1 638 . 1 1 A 53 53 SER HA H 53 4.480 4.620 -0.140 2
1 639 . 1 1 A 53 53 SER CB C 53 63.124 62.969 0.155 2
1 641 . 1 1 A 53 53 SER C C 53 175.932 174.495 1.437 2
1 642 . 1 1 A 54 54 GLU N N 54 122.542 120.222 2.320 2
1 643 . 1 1 A 54 54 GLU H H 54 8.347 8.180 0.167 2
1 644 . 1 1 A 54 54 GLU CA C 54 55.560 57.466 -1.906 2
1 645 . 1 1 A 54 54 GLU HA H 54 4.387 4.266 0.121 2
1 646 . 1 1 A 54 54 GLU CB C 54 29.438 29.909 -0.471 2
1 651 . 1 1 A 54 54 GLU C C 54 176.980 175.776 1.204 2
stop_
save_