data_15938_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15938
_Entry.PDB_ID 2K85
_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 15
_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 17 . 1 1 1 A 6 6 GLN H H 6 8.338 8.000 0.338 1
1 18 . 1 1 1 A 6 6 GLN HA H 6 4.087 4.545 -0.459 1
1 23 . 1 1 1 A 6 6 GLN CA C 6 54.294 54.007 0.287 1
1 24 . 1 1 1 A 6 6 GLN CB C 6 25.937 27.017 -1.080 1
1 26 . 1 1 1 A 7 7 GLN H H 7 8.102 8.390 -0.288 1
1 27 . 1 1 1 A 7 7 GLN HA H 7 4.022 4.683 -0.661 1
1 33 . 1 1 1 A 7 7 GLN CA C 7 54.971 56.965 -1.994 1
1 34 . 1 1 1 A 7 7 GLN CB C 7 26.139 31.452 -5.313 1
1 36 . 1 1 1 A 7 7 GLN N N 7 121.077 124.682 -3.605 1
1 38 . 1 1 1 A 8 8 ILE H H 8 7.931 7.744 0.187 1
1 39 . 1 1 1 A 8 8 ILE HA H 8 3.707 3.886 -0.179 1
1 49 . 1 1 1 A 8 8 ILE CA C 8 60.313 65.228 -4.915 1
1 50 . 1 1 1 A 8 8 ILE CB C 8 35.549 37.458 -1.909 1
1 54 . 1 1 1 A 8 8 ILE N N 8 121.658 119.616 2.042 1
1 55 . 1 1 1 A 9 9 ALA H H 9 8.066 7.836 0.230 1
1 56 . 1 1 1 A 9 9 ALA HA H 9 4.154 4.355 -0.201 1
1 60 . 1 1 1 A 9 9 ALA CA C 9 51.535 54.472 -2.937 1
1 61 . 1 1 1 A 9 9 ALA CB C 9 16.982 19.803 -2.821 1
1 62 . 1 1 1 A 9 9 ALA N N 9 125.451 123.126 2.325 1
1 63 . 1 1 1 A 10 10 THR H H 10 8.341 8.368 -0.027 1
1 64 . 1 1 1 A 10 10 THR HA H 10 4.080 4.203 -0.123 1
1 69 . 1 1 1 A 10 10 THR CA C 10 60.938 64.802 -3.864 1
1 70 . 1 1 1 A 10 10 THR CB C 10 67.814 68.256 -0.442 1
1 72 . 1 1 1 A 10 10 THR N N 10 113.598 110.899 2.699 1
1 73 . 1 1 1 A 11 11 ALA H H 11 8.169 8.211 -0.042 1
1 74 . 1 1 1 A 11 11 ALA HA H 11 3.978 4.009 -0.031 1
1 78 . 1 1 1 A 11 11 ALA CA C 11 52.638 55.377 -2.739 1
1 79 . 1 1 1 A 11 11 ALA CB C 11 15.450 18.187 -2.737 1
1 80 . 1 1 1 A 12 12 LYS H H 12 8.742 8.019 0.723 1
1 81 . 1 1 1 A 12 12 LYS HA H 12 3.433 3.985 -0.552 1
1 89 . 1 1 1 A 12 12 LYS CA C 12 57.832 59.565 -1.733 1
1 90 . 1 1 1 A 12 12 LYS CB C 12 29.978 32.524 -2.546 1
1 93 . 1 1 1 A 12 12 LYS N N 12 121.423 118.138 3.285 1
1 94 . 1 1 1 A 13 13 ASP H H 13 7.689 9.194 -1.506 1
1 95 . 1 1 1 A 13 13 ASP HA H 13 4.026 4.279 -0.253 1
1 98 . 1 1 1 A 13 13 ASP CA C 13 54.896 57.545 -2.649 1
1 99 . 1 1 1 A 13 13 ASP CB C 13 37.904 42.091 -4.188 1
1 100 . 1 1 1 A 13 13 ASP N N 13 119.535 119.392 0.143 1
1 101 . 1 1 1 A 14 14 LYS H H 14 7.806 8.550 -0.745 1
1 102 . 1 1 1 A 14 14 LYS HA H 14 3.803 4.257 -0.454 1
1 105 . 1 1 1 A 14 14 LYS CA C 14 56.563 59.237 -2.674 1
1 106 . 1 1 1 A 14 14 LYS N N 14 117.395 119.643 -2.248 1
1 107 . 1 1 1 A 15 15 TYR H H 15 7.867 8.037 -0.170 1
1 108 . 1 1 1 A 15 15 TYR HA H 15 4.038 4.135 -0.096 1
1 115 . 1 1 1 A 15 15 TYR CA C 15 58.284 61.572 -3.288 1
1 116 . 1 1 1 A 15 15 TYR CB C 15 35.361 38.554 -3.193 1
1 119 . 1 1 1 A 15 15 TYR N N 15 120.763 121.310 -0.547 1
1 120 . 1 1 1 A 16 16 GLU H H 16 8.575 8.909 -0.334 1
1 121 . 1 1 1 A 16 16 GLU HA H 16 3.178 3.857 -0.679 1
1 126 . 1 1 1 A 16 16 GLU CA C 16 58.622 58.858 -0.236 1
1 127 . 1 1 1 A 16 16 GLU CB C 16 26.562 29.243 -2.681 1
1 129 . 1 1 1 A 16 16 GLU N N 16 119.244 116.969 2.275 1
1 130 . 1 1 1 A 17 17 TRP H H 17 8.082 7.998 0.084 1
1 131 . 1 1 1 A 17 17 TRP HA H 17 4.124 4.755 -0.631 1
1 140 . 1 1 1 A 17 17 TRP CA C 17 57.229 61.010 -3.781 1
1 141 . 1 1 1 A 17 17 TRP CB C 17 25.612 29.647 -4.035 1
1 147 . 1 1 1 A 17 17 TRP N N 17 120.589 123.723 -3.134 1
1 149 . 1 1 1 A 18 18 LEU H H 18 7.619 8.383 -0.764 1
1 150 . 1 1 1 A 18 18 LEU HA H 18 3.553 2.946 0.607 1
1 160 . 1 1 1 A 18 18 LEU CA C 18 55.837 57.743 -1.906 1
1 161 . 1 1 1 A 18 18 LEU CB C 18 38.786 41.500 -2.714 1
1 165 . 1 1 1 A 18 18 LEU N N 18 122.925 119.609 3.316 1
1 166 . 1 1 1 A 19 19 VAL H H 19 8.069 7.836 0.233 1
1 167 . 1 1 1 A 19 19 VAL HA H 19 3.060 3.384 -0.324 1
1 175 . 1 1 1 A 19 19 VAL CA C 19 64.268 66.746 -2.478 1
1 176 . 1 1 1 A 19 19 VAL CB C 19 28.849 31.408 -2.559 1
1 179 . 1 1 1 A 19 19 VAL N N 19 118.738 118.188 0.550 1
1 180 . 1 1 1 A 20 20 SER H H 20 7.380 7.801 -0.421 1
1 181 . 1 1 1 A 20 20 SER HA H 20 3.569 4.333 -0.764 1
1 184 . 1 1 1 A 20 20 SER CA C 20 59.063 60.634 -1.571 1
1 185 . 1 1 1 A 20 20 SER CB C 20 60.354 62.700 -2.346 1
1 186 . 1 1 1 A 20 20 SER N N 20 111.215 113.716 -2.501 1
1 187 . 1 1 1 A 21 21 ARG H H 21 7.290 8.466 -1.175 1
1 188 . 1 1 1 A 21 21 ARG HA H 21 3.860 4.141 -0.281 1
1 195 . 1 1 1 A 21 21 ARG CA C 21 55.197 58.227 -3.030 1
1 196 . 1 1 1 A 21 21 ARG CB C 21 28.021 29.436 -1.415 1
1 199 . 1 1 1 A 21 21 ARG N N 21 119.898 122.029 -2.131 1
1 200 . 1 1 1 A 22 22 ILE H H 22 7.695 7.178 0.517 1
1 201 . 1 1 1 A 22 22 ILE HA H 22 3.900 4.067 -0.167 1
1 211 . 1 1 1 A 22 22 ILE CA C 22 59.337 62.865 -3.528 1
1 212 . 1 1 1 A 22 22 ILE CB C 22 36.562 38.705 -2.143 1
1 216 . 1 1 1 A 22 22 ILE N N 22 116.745 119.041 -2.296 1
1 217 . 1 1 1 A 23 23 VAL H H 23 7.969 7.776 0.193 1
1 218 . 1 1 1 A 23 23 VAL HA H 23 3.887 4.249 -0.362 1
1 226 . 1 1 1 A 23 23 VAL CA C 23 60.956 62.743 -1.787 1
1 227 . 1 1 1 A 23 23 VAL CB C 23 28.307 31.378 -3.071 1
1 230 . 1 1 1 A 23 23 VAL N N 23 122.152 120.002 2.150 1
1 231 . 1 1 1 A 24 24 LYS H H 24 9.007 8.494 0.513 1
1 232 . 1 1 1 A 24 24 LYS HA H 24 4.285 4.476 -0.191 1
1 239 . 1 1 1 A 24 24 LYS CA C 24 52.838 58.012 -5.174 1
1 240 . 1 1 1 A 24 24 LYS CB C 24 30.937 32.870 -1.933 1
1 244 . 1 1 1 A 24 24 LYS N N 24 127.138 127.615 -0.477 1
1 245 . 1 1 1 A 25 25 ASN H H 25 7.936 8.048 -0.113 1
1 246 . 1 1 1 A 25 25 ASN HA H 25 4.727 4.600 0.127 1
1 251 . 1 1 1 A 25 25 ASN CA C 25 49.688 52.102 -2.414 1
1 252 . 1 1 1 A 25 25 ASN CB C 25 38.574 37.378 1.196 1
1 253 . 1 1 1 A 25 25 ASN N N 25 116.900 113.957 2.943 1
1 255 . 1 1 1 A 26 26 HIS H H 26 8.035 8.132 -0.097 1
1 256 . 1 1 1 A 26 26 HIS HA H 26 4.096 4.429 -0.333 1
1 262 . 1 1 1 A 26 26 HIS CA C 26 54.755 57.414 -2.659 1
1 263 . 1 1 1 A 26 26 HIS CB C 26 27.832 27.695 0.137 1
1 266 . 1 1 1 A 26 26 HIS N N 26 117.740 118.572 -0.832 1
1 267 . 1 1 1 A 27 27 ASN H H 27 7.949 8.017 -0.067 1
1 268 . 1 1 1 A 27 27 ASN HA H 27 4.537 4.634 -0.098 1
1 273 . 1 1 1 A 27 27 ASN CA C 27 50.304 54.803 -4.499 1
1 274 . 1 1 1 A 27 27 ASN CB C 27 35.850 38.329 -2.479 1
1 275 . 1 1 1 A 27 27 ASN N N 27 117.497 116.868 0.629 1
1 277 . 1 1 1 A 28 28 GLU H H 28 7.020 8.157 -1.137 1
1 278 . 1 1 1 A 28 28 GLU HA H 28 4.171 4.516 -0.345 1
1 283 . 1 1 1 A 28 28 GLU CA C 28 54.971 56.640 -1.669 1
1 284 . 1 1 1 A 28 28 GLU CB C 28 28.398 31.303 -2.905 1
1 286 . 1 1 1 A 28 28 GLU N N 28 120.910 118.901 2.009 1
1 287 . 1 1 1 A 29 29 ASN H H 29 8.539 8.367 0.172 1
1 288 . 1 1 1 A 29 29 ASN HA H 29 5.055 5.369 -0.314 1
1 293 . 1 1 1 A 29 29 ASN CA C 29 49.375 51.989 -2.614 1
1 294 . 1 1 1 A 29 29 ASN CB C 29 38.824 40.876 -2.052 1
1 295 . 1 1 1 A 29 29 ASN N N 29 118.857 119.640 -0.783 1
1 297 . 1 1 1 A 30 30 TRP H H 30 9.219 9.080 0.139 1
1 298 . 1 1 1 A 30 30 TRP HA H 30 3.637 3.036 0.601 1
1 307 . 1 1 1 A 30 30 TRP CA C 30 55.988 60.956 -4.968 1
1 308 . 1 1 1 A 30 30 TRP CB C 30 27.757 30.123 -2.366 1
1 314 . 1 1 1 A 30 30 TRP N N 30 122.308 128.220 -5.912 1
1 316 . 1 1 1 A 31 31 LEU H H 31 8.329 7.983 0.345 1
1 317 . 1 1 1 A 31 31 LEU HA H 31 3.302 3.529 -0.227 1
1 327 . 1 1 1 A 31 31 LEU CA C 31 55.874 57.692 -1.818 1
1 328 . 1 1 1 A 31 31 LEU CB C 31 38.372 41.786 -3.414 1
1 332 . 1 1 1 A 31 31 LEU N N 31 120.479 119.969 0.510 1
1 333 . 1 1 1 A 32 32 SER H H 32 7.521 7.824 -0.303 1
1 334 . 1 1 1 A 32 32 SER HA H 32 3.893 3.902 -0.009 1
1 337 . 1 1 1 A 32 32 SER CA C 32 58.245 62.526 -4.281 1
1 338 . 1 1 1 A 32 32 SER CB C 32 60.316 62.925 -2.609 1
1 339 . 1 1 1 A 32 32 SER N N 32 112.204 113.856 -1.652 1
1 340 . 1 1 1 A 33 33 VAL H H 33 7.873 7.574 0.299 1
1 341 . 1 1 1 A 33 33 VAL HA H 33 3.293 3.804 -0.511 1
1 349 . 1 1 1 A 33 33 VAL CA C 33 63.629 64.910 -1.281 1
1 350 . 1 1 1 A 33 33 VAL CB C 33 29.000 31.139 -2.139 1
1 353 . 1 1 1 A 33 33 VAL N N 33 121.321 118.278 3.043 1
1 354 . 1 1 1 A 34 34 SER H H 34 8.213 8.027 0.187 1
1 355 . 1 1 1 A 34 34 SER HA H 34 2.777 3.556 -0.779 1
1 358 . 1 1 1 A 34 34 SER CA C 34 59.063 60.331 -1.268 1
1 359 . 1 1 1 A 34 34 SER CB C 34 58.438 61.566 -3.128 1
1 360 . 1 1 1 A 34 34 SER N N 34 116.084 116.022 0.062 1
1 361 . 1 1 1 A 35 35 ARG H H 35 6.651 7.952 -1.301 1
1 362 . 1 1 1 A 35 35 ARG HA H 35 3.649 3.756 -0.107 1
1 367 . 1 1 1 A 35 35 ARG CA C 35 56.778 59.480 -2.702 1
1 368 . 1 1 1 A 35 35 ARG CB C 35 26.892 29.862 -2.970 1
1 371 . 1 1 1 A 35 35 ARG N N 35 120.706 122.847 -2.141 1
1 372 . 1 1 1 A 36 36 LYS H H 36 7.074 7.788 -0.714 1
1 373 . 1 1 1 A 36 36 LYS HA H 36 3.840 3.837 0.003 1
1 380 . 1 1 1 A 36 36 LYS CA C 36 56.288 59.198 -2.910 1
1 381 . 1 1 1 A 36 36 LYS CB C 36 30.091 32.029 -1.938 1
1 385 . 1 1 1 A 36 36 LYS N N 36 118.246 119.774 -1.528 1
1 386 . 1 1 1 A 37 37 MET H H 37 7.362 8.863 -1.502 1
1 387 . 1 1 1 A 37 37 MET HA H 37 3.958 3.875 0.083 1
1 395 . 1 1 1 A 37 37 MET CA C 37 54.972 58.716 -3.744 1
1 396 . 1 1 1 A 37 37 MET CB C 37 31.521 32.077 -0.556 1
1 398 . 1 1 1 A 37 37 MET N N 37 116.022 118.184 -2.162 1
1 399 . 1 1 1 A 38 38 GLN H H 38 6.836 8.361 -1.525 1
1 400 . 1 1 1 A 38 38 GLN HA H 38 3.455 4.061 -0.606 1
1 406 . 1 1 1 A 38 38 GLN CA C 38 55.938 57.549 -1.611 1
1 407 . 1 1 1 A 38 38 GLN CB C 38 25.312 27.429 -2.117 1
1 409 . 1 1 1 A 38 38 GLN N N 38 116.745 116.823 -0.078 1
1 411 . 1 1 1 A 39 39 ALA H H 39 7.636 7.459 0.177 1
1 412 . 1 1 1 A 39 39 ALA HA H 39 4.210 4.239 -0.029 1
1 416 . 1 1 1 A 39 39 ALA CA C 39 50.313 52.736 -2.423 1
1 417 . 1 1 1 A 39 39 ALA CB C 39 16.278 18.581 -2.303 1
1 418 . 1 1 1 A 39 39 ALA N N 39 118.576 121.669 -3.093 1
1 419 . 1 1 1 A 40 40 SER H H 40 8.246 7.652 0.594 1
1 420 . 1 1 1 A 40 40 SER HA H 40 4.681 4.948 -0.267 1
1 423 . 1 1 1 A 40 40 SER CA C 40 55.122 55.274 -0.152 1
1 424 . 1 1 1 A 40 40 SER CB C 40 60.938 65.315 -4.377 1
1 425 . 1 1 1 A 40 40 SER N N 40 119.184 114.292 4.892 1
1 426 . 1 1 1 A 41 41 PRO HA H 41 4.083 4.377 -0.294 1
1 432 . 1 1 1 A 41 41 PRO CA C 41 62.800 65.114 -2.314 1
1 434 . 1 1 1 A 42 42 GLU H H 42 9.832 8.360 1.472 1
1 435 . 1 1 1 A 42 42 GLU HA H 42 3.961 4.204 -0.243 1
1 440 . 1 1 1 A 42 42 GLU CA C 42 57.832 59.940 -2.108 1
1 441 . 1 1 1 A 42 42 GLU CB C 42 27.812 29.392 -1.580 1
1 443 . 1 1 1 A 42 42 GLU N N 42 115.590 117.923 -2.333 1
1 444 . 1 1 1 A 43 43 TYR H H 43 7.138 8.320 -1.183 1
1 445 . 1 1 1 A 43 43 TYR HA H 43 4.192 4.581 -0.389 1
1 452 . 1 1 1 A 43 43 TYR CA C 43 58.438 61.839 -3.401 1
1 453 . 1 1 1 A 43 43 TYR CB C 43 37.812 38.897 -1.085 1
1 456 . 1 1 1 A 43 43 TYR N N 43 118.651 121.334 -2.683 1
1 457 . 1 1 1 A 44 44 GLN H H 44 7.832 8.189 -0.356 1
1 458 . 1 1 1 A 44 44 GLN HA H 44 3.506 3.851 -0.345 1
1 465 . 1 1 1 A 44 44 GLN CA C 44 56.110 59.000 -2.890 1
1 466 . 1 1 1 A 44 44 GLN CB C 44 25.161 28.587 -3.426 1
1 468 . 1 1 1 A 44 44 GLN N N 44 117.515 118.709 -1.194 1
1 470 . 1 1 1 A 45 45 ASP H H 45 8.967 8.661 0.306 1
1 471 . 1 1 1 A 45 45 ASP HA H 45 4.224 4.330 -0.106 1
1 474 . 1 1 1 A 45 45 ASP CA C 45 54.407 57.216 -2.809 1
1 475 . 1 1 1 A 45 45 ASP CB C 45 37.694 41.533 -3.839 1
1 476 . 1 1 1 A 45 45 ASP N N 45 118.351 120.298 -1.947 1
1 477 . 1 1 1 A 46 46 TYR H H 46 6.841 7.989 -1.148 1
1 478 . 1 1 1 A 46 46 TYR HA H 46 3.775 4.063 -0.288 1
1 485 . 1 1 1 A 46 46 TYR CA C 46 60.316 61.401 -1.085 1
1 486 . 1 1 1 A 46 46 TYR CB C 46 36.452 38.600 -2.148 1
1 489 . 1 1 1 A 46 46 TYR N N 46 118.500 120.612 -2.112 1
1 490 . 1 1 1 A 47 47 VAL H H 47 8.125 8.116 0.009 1
1 491 . 1 1 1 A 47 47 VAL HA H 47 2.823 3.356 -0.533 1
1 499 . 1 1 1 A 47 47 VAL CA C 47 63.553 65.769 -2.216 1
1 500 . 1 1 1 A 47 47 VAL CB C 47 27.812 30.752 -2.940 1
1 503 . 1 1 1 A 47 47 VAL N N 47 117.616 119.415 -1.799 1
1 504 . 1 1 1 A 48 48 TYR H H 48 7.857 8.360 -0.502 1
1 505 . 1 1 1 A 48 48 TYR HA H 48 3.869 4.188 -0.319 1
1 512 . 1 1 1 A 48 48 TYR CA C 48 58.622 61.319 -2.697 1
1 513 . 1 1 1 A 48 48 TYR CB C 48 35.775 38.677 -2.902 1
1 516 . 1 1 1 A 48 48 TYR N N 48 121.176 121.896 -0.720 1
1 517 . 1 1 1 A 49 49 LEU H H 49 6.926 8.587 -1.661 1
1 518 . 1 1 1 A 49 49 LEU HA H 49 3.776 3.424 0.351 1
1 528 . 1 1 1 A 49 49 LEU CA C 49 54.688 58.084 -3.396 1
1 529 . 1 1 1 A 49 49 LEU CB C 49 40.938 41.418 -0.480 1
1 533 . 1 1 1 A 49 49 LEU N N 49 116.307 119.916 -3.609 1
1 534 . 1 1 1 A 50 50 GLU H H 50 7.894 7.756 0.139 1
1 535 . 1 1 1 A 50 50 GLU HA H 50 4.212 4.043 0.169 1
1 540 . 1 1 1 A 50 50 GLU CA C 50 53.616 57.979 -4.363 1
1 541 . 1 1 1 A 50 50 GLU CB C 50 28.924 29.433 -0.509 1
1 543 . 1 1 1 A 50 50 GLU N N 50 114.774 115.805 -1.031 1
1 544 . 1 1 1 A 51 51 GLY H H 51 7.768 7.005 0.763 1
1 545 . 1 1 1 A 51 51 GLY HA2 H 51 4.168 3.963 0.205 1
1 546 . 1 1 1 A 51 51 GLY HA3 H 51 3.770 3.972 -0.202 1
1 547 . 1 1 1 A 51 51 GLY CA C 51 42.188 45.468 -3.280 1
1 548 . 1 1 1 A 51 51 GLY N N 51 109.724 103.680 6.044 1
1 549 . 1 1 1 A 52 52 THR H H 52 8.230 9.024 -0.793 1
1 550 . 1 1 1 A 52 52 THR HA H 52 3.687 4.012 -0.325 1
1 555 . 1 1 1 A 52 52 THR CA C 52 62.813 65.938 -3.125 1
1 556 . 1 1 1 A 52 52 THR CB C 52 66.564 68.931 -2.367 1
1 558 . 1 1 1 A 52 52 THR N N 52 111.611 114.725 -3.114 1
1 559 . 1 1 1 A 53 53 GLN H H 53 8.342 7.736 0.606 1
1 560 . 1 1 1 A 53 53 GLN HA H 53 3.784 4.018 -0.234 1
1 566 . 1 1 1 A 53 53 GLN CA C 53 57.117 58.749 -1.632 1
1 567 . 1 1 1 A 53 53 GLN CB C 53 24.521 28.337 -3.816 1
1 569 . 1 1 1 A 53 53 GLN N N 53 122.288 119.944 2.344 1
1 571 . 1 1 1 A 54 54 LYS H H 54 8.236 7.834 0.403 1
1 572 . 1 1 1 A 54 54 LYS HA H 54 3.784 4.100 -0.316 1
1 579 . 1 1 1 A 54 54 LYS CA C 54 57.230 58.320 -1.090 1
1 580 . 1 1 1 A 54 54 LYS CB C 54 28.437 31.842 -3.405 1
1 584 . 1 1 1 A 54 54 LYS N N 54 121.397 121.256 0.141 1
1 585 . 1 1 1 A 55 55 ALA H H 55 7.207 8.014 -0.807 1
1 586 . 1 1 1 A 55 55 ALA HA H 55 3.893 4.136 -0.243 1
1 590 . 1 1 1 A 55 55 ALA CA C 55 49.063 55.091 -6.028 1
1 591 . 1 1 1 A 55 55 ALA CB C 55 16.562 18.257 -1.695 1
1 592 . 1 1 1 A 55 55 ALA N N 55 121.624 122.250 -0.626 1
1 593 . 1 1 1 A 56 56 LYS H H 56 8.199 8.151 0.048 1
1 594 . 1 1 1 A 56 56 LYS HA H 56 2.316 2.535 -0.219 1
1 602 . 1 1 1 A 56 56 LYS CA C 56 56.514 59.087 -2.573 1
1 603 . 1 1 1 A 56 56 LYS CB C 56 29.527 31.944 -2.417 1
1 607 . 1 1 1 A 56 56 LYS N N 56 124.153 118.018 6.135 1
1 608 . 1 1 1 A 57 57 LYS H H 57 7.801 8.461 -0.659 1
1 609 . 1 1 1 A 57 57 LYS HA H 57 3.696 3.932 -0.236 1
1 616 . 1 1 1 A 57 57 LYS CA C 57 57.305 59.592 -2.287 1
1 617 . 1 1 1 A 57 57 LYS CB C 57 29.790 32.154 -2.364 1
1 621 . 1 1 1 A 57 57 LYS N N 57 120.226 118.341 1.885 1
1 622 . 1 1 1 A 58 58 LEU H H 58 7.748 8.233 -0.485 1
1 623 . 1 1 1 A 58 58 LEU HA H 58 4.014 4.050 -0.036 1
1 633 . 1 1 1 A 58 58 LEU CA C 58 55.912 57.810 -1.898 1
1 634 . 1 1 1 A 58 58 LEU CB C 58 39.313 41.814 -2.501 1
1 638 . 1 1 1 A 58 58 LEU N N 58 118.589 120.634 -2.045 1
1 639 . 1 1 1 A 59 59 PHE H H 59 7.587 8.951 -1.364 1
1 640 . 1 1 1 A 59 59 PHE HA H 59 4.181 4.160 0.021 1
1 648 . 1 1 1 A 59 59 PHE CA C 59 59.036 61.326 -2.290 1
1 649 . 1 1 1 A 59 59 PHE CB C 59 36.340 38.865 -2.525 1
1 653 . 1 1 1 A 59 59 PHE N N 59 122.478 119.250 3.228 1
1 654 . 1 1 1 A 60 60 LEU H H 60 8.576 9.250 -0.674 1
1 655 . 1 1 1 A 60 60 LEU HA H 60 3.528 3.652 -0.124 1
1 665 . 1 1 1 A 60 60 LEU CA C 60 55.084 58.071 -2.987 1
1 666 . 1 1 1 A 60 60 LEU CB C 60 38.259 41.532 -3.273 1
1 670 . 1 1 1 A 60 60 LEU N N 60 120.969 119.458 1.511 1
1 671 . 1 1 1 A 61 61 GLN H H 61 7.956 8.143 -0.187 1
1 672 . 1 1 1 A 61 61 GLN HA H 61 3.892 3.884 0.008 1
1 679 . 1 1 1 A 61 61 GLN CA C 61 56.326 58.769 -2.443 1
1 680 . 1 1 1 A 61 61 GLN CB C 61 25.581 28.408 -2.827 1
1 682 . 1 1 1 A 61 61 GLN N N 61 119.668 116.385 3.283 1
1 684 . 1 1 1 A 62 62 HIS H H 62 7.487 7.982 -0.495 1
1 685 . 1 1 1 A 62 62 HIS HA H 62 4.130 4.195 -0.065 1
1 690 . 1 1 1 A 62 62 HIS CA C 62 57.531 59.812 -2.281 1
1 691 . 1 1 1 A 62 62 HIS CB C 62 28.134 29.786 -1.652 1
1 694 . 1 1 1 A 62 62 HIS N N 62 121.475 119.298 2.177 1
1 695 . 1 1 1 A 63 63 ILE H H 63 7.747 8.576 -0.830 1
1 696 . 1 1 1 A 63 63 ILE HA H 63 3.297 3.401 -0.104 1
1 706 . 1 1 1 A 63 63 ILE CA C 63 60.408 65.515 -5.106 1
1 707 . 1 1 1 A 63 63 ILE CB C 63 33.437 37.876 -4.439 1
1 710 . 1 1 1 A 63 63 ILE N N 63 116.455 119.789 -3.334 1
1 711 . 1 1 1 A 64 64 HIS H H 64 7.703 8.464 -0.761 1
1 712 . 1 1 1 A 64 64 HIS HA H 64 3.983 4.076 -0.093 1
1 718 . 1 1 1 A 64 64 HIS CA C 64 57.832 60.349 -2.517 1
1 719 . 1 1 1 A 64 64 HIS CB C 64 27.382 29.595 -2.213 1
1 722 . 1 1 1 A 64 64 HIS N N 64 118.476 118.859 -0.383 1
1 723 . 1 1 1 A 65 65 ARG H H 65 7.501 8.293 -0.792 1
1 724 . 1 1 1 A 65 65 ARG HA H 65 3.789 4.110 -0.321 1
1 731 . 1 1 1 A 65 65 ARG CA C 65 56.966 59.167 -2.201 1
1 732 . 1 1 1 A 65 65 ARG CB C 65 27.194 29.730 -2.536 1
1 735 . 1 1 1 A 65 65 ARG N N 65 119.155 118.779 0.376 1
1 736 . 1 1 1 A 66 66 LEU H H 66 7.708 8.772 -1.064 1
1 737 . 1 1 1 A 66 66 LEU HA H 66 3.791 3.851 -0.060 1
1 747 . 1 1 1 A 66 66 LEU CA C 66 54.143 57.696 -3.553 1
1 748 . 1 1 1 A 66 66 LEU CB C 66 39.688 41.399 -1.711 1
1 752 . 1 1 1 A 66 66 LEU N N 66 118.791 120.146 -1.355 1
1 753 . 1 1 1 A 67 67 LYS H H 67 7.573 8.084 -0.511 1
1 754 . 1 1 1 A 67 67 LYS HA H 67 3.358 4.101 -0.743 1
1 761 . 1 1 1 A 67 67 LYS CA C 67 55.255 58.479 -3.224 1
1 762 . 1 1 1 A 67 67 LYS CB C 67 30.352 32.382 -2.030 1
1 766 . 1 1 1 A 67 67 LYS N N 67 118.232 117.161 1.071 1
1 767 . 1 1 1 A 68 68 HIS H H 68 7.398 8.437 -1.039 1
1 768 . 1 1 1 A 68 68 HIS HA H 68 4.287 4.741 -0.454 1
1 774 . 1 1 1 A 68 68 HIS CA C 68 53.438 54.628 -1.190 1
1 775 . 1 1 1 A 68 68 HIS CB C 68 27.156 30.671 -3.515 1
1 778 . 1 1 1 A 68 68 HIS N N 68 116.826 112.980 3.846 1
1 17 . 2 1 1 A 6 6 GLN H H 6 8.338 8.222 0.116 1
1 18 . 2 1 1 A 6 6 GLN HA H 6 4.087 4.154 -0.067 1
1 23 . 2 1 1 A 6 6 GLN CA C 6 54.294 56.647 -2.353 1
1 24 . 2 1 1 A 6 6 GLN CB C 6 25.937 27.406 -1.469 1
1 26 . 2 1 1 A 7 7 GLN H H 7 8.102 8.152 -0.050 1
1 27 . 2 1 1 A 7 7 GLN HA H 7 4.022 4.727 -0.705 1
1 33 . 2 1 1 A 7 7 GLN CA C 7 54.971 57.007 -2.036 1
1 34 . 2 1 1 A 7 7 GLN CB C 7 26.139 31.452 -5.313 1
1 36 . 2 1 1 A 7 7 GLN N N 7 121.077 118.495 2.582 1
1 38 . 2 1 1 A 8 8 ILE H H 8 7.931 7.941 -0.010 1
1 39 . 2 1 1 A 8 8 ILE HA H 8 3.707 3.933 -0.226 1
1 49 . 2 1 1 A 8 8 ILE CA C 8 60.313 64.046 -3.733 1
1 50 . 2 1 1 A 8 8 ILE CB C 8 35.549 37.639 -2.090 1
1 54 . 2 1 1 A 8 8 ILE N N 8 121.658 119.192 2.466 1
1 55 . 2 1 1 A 9 9 ALA H H 9 8.066 7.256 0.810 1
1 56 . 2 1 1 A 9 9 ALA HA H 9 4.154 4.536 -0.382 1
1 60 . 2 1 1 A 9 9 ALA CA C 9 51.535 53.216 -1.681 1
1 61 . 2 1 1 A 9 9 ALA CB C 9 16.982 20.269 -3.288 1
1 62 . 2 1 1 A 9 9 ALA N N 9 125.451 123.953 1.498 1
1 63 . 2 1 1 A 10 10 THR H H 10 8.341 8.370 -0.029 1
1 64 . 2 1 1 A 10 10 THR HA H 10 4.080 4.225 -0.145 1
1 69 . 2 1 1 A 10 10 THR CA C 10 60.938 64.910 -3.972 1
1 70 . 2 1 1 A 10 10 THR CB C 10 67.814 68.341 -0.527 1
1 72 . 2 1 1 A 10 10 THR N N 10 113.598 111.081 2.517 1
1 73 . 2 1 1 A 11 11 ALA H H 11 8.169 7.979 0.190 1
1 74 . 2 1 1 A 11 11 ALA HA H 11 3.978 4.082 -0.103 1
1 78 . 2 1 1 A 11 11 ALA CA C 11 52.638 55.486 -2.848 1
1 79 . 2 1 1 A 11 11 ALA CB C 11 15.450 18.094 -2.644 1
1 80 . 2 1 1 A 12 12 LYS H H 12 8.742 7.831 0.910 1
1 81 . 2 1 1 A 12 12 LYS HA H 12 3.433 3.655 -0.222 1
1 89 . 2 1 1 A 12 12 LYS CA C 12 57.832 59.781 -1.949 1
1 90 . 2 1 1 A 12 12 LYS CB C 12 29.978 32.336 -2.358 1
1 93 . 2 1 1 A 12 12 LYS N N 12 121.423 118.557 2.866 1
1 94 . 2 1 1 A 13 13 ASP H H 13 7.689 8.353 -0.664 1
1 95 . 2 1 1 A 13 13 ASP HA H 13 4.026 4.315 -0.289 1
1 98 . 2 1 1 A 13 13 ASP CA C 13 54.896 57.553 -2.657 1
1 99 . 2 1 1 A 13 13 ASP CB C 13 37.904 42.168 -4.264 1
1 100 . 2 1 1 A 13 13 ASP N N 13 119.535 119.633 -0.098 1
1 101 . 2 1 1 A 14 14 LYS H H 14 7.806 8.315 -0.509 1
1 102 . 2 1 1 A 14 14 LYS HA H 14 3.803 4.194 -0.391 1
1 105 . 2 1 1 A 14 14 LYS CA C 14 56.563 58.663 -2.100 1
1 106 . 2 1 1 A 14 14 LYS N N 14 117.395 119.769 -2.374 1
1 107 . 2 1 1 A 15 15 TYR H H 15 7.867 8.433 -0.566 1
1 108 . 2 1 1 A 15 15 TYR HA H 15 4.038 4.205 -0.167 1
1 115 . 2 1 1 A 15 15 TYR CA C 15 58.284 61.723 -3.439 1
1 116 . 2 1 1 A 15 15 TYR CB C 15 35.361 38.570 -3.209 1
1 119 . 2 1 1 A 15 15 TYR N N 15 120.763 121.190 -0.427 1
1 120 . 2 1 1 A 16 16 GLU H H 16 8.575 8.993 -0.418 1
1 121 . 2 1 1 A 16 16 GLU HA H 16 3.178 3.841 -0.663 1
1 126 . 2 1 1 A 16 16 GLU CA C 16 58.622 59.036 -0.414 1
1 127 . 2 1 1 A 16 16 GLU CB C 16 26.562 29.046 -2.484 1
1 129 . 2 1 1 A 16 16 GLU N N 16 119.244 117.065 2.179 1
1 130 . 2 1 1 A 17 17 TRP H H 17 8.082 7.936 0.146 1
1 131 . 2 1 1 A 17 17 TRP HA H 17 4.124 4.553 -0.429 1
1 140 . 2 1 1 A 17 17 TRP CA C 17 57.229 60.995 -3.766 1
1 141 . 2 1 1 A 17 17 TRP CB C 17 25.612 29.602 -3.990 1
1 147 . 2 1 1 A 17 17 TRP N N 17 120.589 123.189 -2.600 1
1 149 . 2 1 1 A 18 18 LEU H H 18 7.619 8.435 -0.817 1
1 150 . 2 1 1 A 18 18 LEU HA H 18 3.553 2.916 0.637 1
1 160 . 2 1 1 A 18 18 LEU CA C 18 55.837 57.668 -1.831 1
1 161 . 2 1 1 A 18 18 LEU CB C 18 38.786 41.261 -2.475 1
1 165 . 2 1 1 A 18 18 LEU N N 18 122.925 119.738 3.187 1
1 166 . 2 1 1 A 19 19 VAL H H 19 8.069 8.214 -0.145 1
1 167 . 2 1 1 A 19 19 VAL HA H 19 3.060 3.580 -0.520 1
1 175 . 2 1 1 A 19 19 VAL CA C 19 64.268 64.798 -0.530 1
1 176 . 2 1 1 A 19 19 VAL CB C 19 28.849 31.018 -2.169 1
1 179 . 2 1 1 A 19 19 VAL N N 19 118.738 119.437 -0.699 1
1 180 . 2 1 1 A 20 20 SER H H 20 7.380 7.611 -0.232 1
1 181 . 2 1 1 A 20 20 SER HA H 20 3.569 4.468 -0.899 1
1 184 . 2 1 1 A 20 20 SER CA C 20 59.063 60.334 -1.271 1
1 185 . 2 1 1 A 20 20 SER CB C 20 60.354 62.782 -2.428 1
1 186 . 2 1 1 A 20 20 SER N N 20 111.215 116.308 -5.093 1
1 187 . 2 1 1 A 21 21 ARG H H 21 7.290 8.339 -1.048 1
1 188 . 2 1 1 A 21 21 ARG HA H 21 3.860 4.098 -0.238 1
1 195 . 2 1 1 A 21 21 ARG CA C 21 55.197 57.958 -2.761 1
1 196 . 2 1 1 A 21 21 ARG CB C 21 28.021 29.083 -1.062 1
1 199 . 2 1 1 A 21 21 ARG N N 21 119.898 122.400 -2.502 1
1 200 . 2 1 1 A 22 22 ILE H H 22 7.695 7.059 0.636 1
1 201 . 2 1 1 A 22 22 ILE HA H 22 3.900 4.033 -0.133 1
1 211 . 2 1 1 A 22 22 ILE CA C 22 59.337 62.895 -3.558 1
1 212 . 2 1 1 A 22 22 ILE CB C 22 36.562 38.953 -2.391 1
1 216 . 2 1 1 A 22 22 ILE N N 22 116.745 117.830 -1.085 1
1 217 . 2 1 1 A 23 23 VAL H H 23 7.969 7.960 0.009 1
1 218 . 2 1 1 A 23 23 VAL HA H 23 3.887 4.102 -0.215 1
1 226 . 2 1 1 A 23 23 VAL CA C 23 60.956 63.799 -2.843 1
1 227 . 2 1 1 A 23 23 VAL CB C 23 28.307 32.104 -3.797 1
1 230 . 2 1 1 A 23 23 VAL N N 23 122.152 120.120 2.032 1
1 231 . 2 1 1 A 24 24 LYS H H 24 9.007 9.435 -0.428 1
1 232 . 2 1 1 A 24 24 LYS HA H 24 4.285 4.580 -0.295 1
1 239 . 2 1 1 A 24 24 LYS CA C 24 52.838 57.540 -4.702 1
1 240 . 2 1 1 A 24 24 LYS CB C 24 30.937 35.616 -4.679 1
1 244 . 2 1 1 A 24 24 LYS N N 24 127.138 128.520 -1.382 1
1 245 . 2 1 1 A 25 25 ASN H H 25 7.936 7.659 0.277 1
1 246 . 2 1 1 A 25 25 ASN HA H 25 4.727 4.790 -0.063 1
1 251 . 2 1 1 A 25 25 ASN CA C 25 49.688 52.465 -2.777 1
1 252 . 2 1 1 A 25 25 ASN CB C 25 38.574 38.442 0.132 1
1 253 . 2 1 1 A 25 25 ASN N N 25 116.900 117.415 -0.515 1
1 255 . 2 1 1 A 26 26 HIS H H 26 8.035 7.743 0.292 1
1 256 . 2 1 1 A 26 26 HIS HA H 26 4.096 4.274 -0.178 1
1 262 . 2 1 1 A 26 26 HIS CA C 26 54.755 57.365 -2.611 1
1 263 . 2 1 1 A 26 26 HIS CB C 26 27.832 27.552 0.281 1
1 266 . 2 1 1 A 26 26 HIS N N 26 117.740 118.354 -0.614 1
1 267 . 2 1 1 A 27 27 ASN H H 27 7.949 8.002 -0.053 1
1 268 . 2 1 1 A 27 27 ASN HA H 27 4.537 4.871 -0.335 1
1 273 . 2 1 1 A 27 27 ASN CA C 27 50.304 53.119 -2.815 1
1 274 . 2 1 1 A 27 27 ASN CB C 27 35.850 38.663 -2.813 1
1 275 . 2 1 1 A 27 27 ASN N N 27 117.497 117.441 0.056 1
1 277 . 2 1 1 A 28 28 GLU H H 28 7.020 8.063 -1.043 1
1 278 . 2 1 1 A 28 28 GLU HA H 28 4.171 4.543 -0.372 1
1 283 . 2 1 1 A 28 28 GLU CA C 28 54.971 56.366 -1.395 1
1 284 . 2 1 1 A 28 28 GLU CB C 28 28.398 31.360 -2.962 1
1 286 . 2 1 1 A 28 28 GLU N N 28 120.910 119.521 1.389 1
1 287 . 2 1 1 A 29 29 ASN H H 29 8.539 8.416 0.123 1
1 288 . 2 1 1 A 29 29 ASN HA H 29 5.055 5.240 -0.185 1
1 293 . 2 1 1 A 29 29 ASN CA C 29 49.375 52.093 -2.718 1
1 294 . 2 1 1 A 29 29 ASN CB C 29 38.824 41.042 -2.218 1
1 295 . 2 1 1 A 29 29 ASN N N 29 118.857 119.109 -0.252 1
1 297 . 2 1 1 A 30 30 TRP H H 30 9.219 8.948 0.271 1
1 298 . 2 1 1 A 30 30 TRP HA H 30 3.637 2.968 0.669 1
1 307 . 2 1 1 A 30 30 TRP CA C 30 55.988 60.981 -4.993 1
1 308 . 2 1 1 A 30 30 TRP CB C 30 27.757 29.761 -2.004 1
1 314 . 2 1 1 A 30 30 TRP N N 30 122.308 128.031 -5.723 1
1 316 . 2 1 1 A 31 31 LEU H H 31 8.329 8.420 -0.091 1
1 317 . 2 1 1 A 31 31 LEU HA H 31 3.302 3.239 0.063 1
1 327 . 2 1 1 A 31 31 LEU CA C 31 55.874 57.603 -1.729 1
1 328 . 2 1 1 A 31 31 LEU CB C 31 38.372 41.727 -3.355 1
1 332 . 2 1 1 A 31 31 LEU N N 31 120.479 119.702 0.777 1
1 333 . 2 1 1 A 32 32 SER H H 32 7.521 7.585 -0.064 1
1 334 . 2 1 1 A 32 32 SER HA H 32 3.893 3.914 -0.021 1
1 337 . 2 1 1 A 32 32 SER CA C 32 58.245 62.506 -4.261 1
1 338 . 2 1 1 A 32 32 SER CB C 32 60.316 62.875 -2.559 1
1 339 . 2 1 1 A 32 32 SER N N 32 112.204 113.839 -1.635 1
1 340 . 2 1 1 A 33 33 VAL H H 33 7.873 8.018 -0.145 1
1 341 . 2 1 1 A 33 33 VAL HA H 33 3.293 3.492 -0.199 1
1 349 . 2 1 1 A 33 33 VAL CA C 33 63.629 66.233 -2.604 1
1 350 . 2 1 1 A 33 33 VAL CB C 33 29.000 31.189 -2.189 1
1 353 . 2 1 1 A 33 33 VAL N N 33 121.321 121.701 -0.380 1
1 354 . 2 1 1 A 34 34 SER H H 34 8.213 7.908 0.305 1
1 355 . 2 1 1 A 34 34 SER HA H 34 2.777 3.529 -0.752 1
1 358 . 2 1 1 A 34 34 SER CA C 34 59.063 61.081 -2.018 1
1 359 . 2 1 1 A 34 34 SER CB C 34 58.438 62.323 -3.885 1
1 360 . 2 1 1 A 34 34 SER N N 34 116.084 116.444 -0.360 1
1 361 . 2 1 1 A 35 35 ARG H H 35 6.651 8.005 -1.354 1
1 362 . 2 1 1 A 35 35 ARG HA H 35 3.649 3.820 -0.171 1
1 367 . 2 1 1 A 35 35 ARG CA C 35 56.778 59.368 -2.590 1
1 368 . 2 1 1 A 35 35 ARG CB C 35 26.892 29.936 -3.044 1
1 371 . 2 1 1 A 35 35 ARG N N 35 120.706 122.139 -1.433 1
1 372 . 2 1 1 A 36 36 LYS H H 36 7.074 7.918 -0.844 1
1 373 . 2 1 1 A 36 36 LYS HA H 36 3.840 3.946 -0.106 1
1 380 . 2 1 1 A 36 36 LYS CA C 36 56.288 59.229 -2.941 1
1 381 . 2 1 1 A 36 36 LYS CB C 36 30.091 32.214 -2.123 1
1 385 . 2 1 1 A 36 36 LYS N N 36 118.246 119.317 -1.071 1
1 386 . 2 1 1 A 37 37 MET H H 37 7.362 8.685 -1.323 1
1 387 . 2 1 1 A 37 37 MET HA H 37 3.958 3.978 -0.021 1
1 395 . 2 1 1 A 37 37 MET CA C 37 54.972 58.190 -3.218 1
1 396 . 2 1 1 A 37 37 MET CB C 37 31.521 30.678 0.843 1
1 398 . 2 1 1 A 37 37 MET N N 37 116.022 118.613 -2.591 1
1 399 . 2 1 1 A 38 38 GLN H H 38 6.836 8.407 -1.571 1
1 400 . 2 1 1 A 38 38 GLN HA H 38 3.455 4.226 -0.771 1
1 406 . 2 1 1 A 38 38 GLN CA C 38 55.938 57.658 -1.720 1
1 407 . 2 1 1 A 38 38 GLN CB C 38 25.312 27.212 -1.900 1
1 409 . 2 1 1 A 38 38 GLN N N 38 116.745 117.012 -0.267 1
1 411 . 2 1 1 A 39 39 ALA H H 39 7.636 7.187 0.449 1
1 412 . 2 1 1 A 39 39 ALA HA H 39 4.210 4.292 -0.082 1
1 416 . 2 1 1 A 39 39 ALA CA C 39 50.313 52.777 -2.464 1
1 417 . 2 1 1 A 39 39 ALA CB C 39 16.278 18.883 -2.605 1
1 418 . 2 1 1 A 39 39 ALA N N 39 118.576 121.814 -3.238 1
1 419 . 2 1 1 A 40 40 SER H H 40 8.246 7.804 0.442 1
1 420 . 2 1 1 A 40 40 SER HA H 40 4.681 4.894 -0.212 1
1 423 . 2 1 1 A 40 40 SER CA C 40 55.122 55.272 -0.150 1
1 424 . 2 1 1 A 40 40 SER CB C 40 60.938 64.835 -3.897 1
1 425 . 2 1 1 A 40 40 SER N N 40 119.184 113.815 5.369 1
1 426 . 2 1 1 A 41 41 PRO HA H 41 4.083 4.375 -0.292 1
1 432 . 2 1 1 A 41 41 PRO CA C 41 62.800 64.928 -2.128 1
1 434 . 2 1 1 A 42 42 GLU H H 42 9.832 8.357 1.474 1
1 435 . 2 1 1 A 42 42 GLU HA H 42 3.961 4.197 -0.236 1
1 440 . 2 1 1 A 42 42 GLU CA C 42 57.832 59.905 -2.073 1
1 441 . 2 1 1 A 42 42 GLU CB C 42 27.812 29.232 -1.420 1
1 443 . 2 1 1 A 42 42 GLU N N 42 115.590 117.884 -2.294 1
1 444 . 2 1 1 A 43 43 TYR H H 43 7.138 8.331 -1.194 1
1 445 . 2 1 1 A 43 43 TYR HA H 43 4.192 4.659 -0.467 1
1 452 . 2 1 1 A 43 43 TYR CA C 43 58.438 61.817 -3.379 1
1 453 . 2 1 1 A 43 43 TYR CB C 43 37.812 38.868 -1.056 1
1 456 . 2 1 1 A 43 43 TYR N N 43 118.651 121.296 -2.645 1
1 457 . 2 1 1 A 44 44 GLN H H 44 7.832 8.104 -0.272 1
1 458 . 2 1 1 A 44 44 GLN HA H 44 3.506 3.670 -0.164 1
1 465 . 2 1 1 A 44 44 GLN CA C 44 56.110 58.902 -2.792 1
1 466 . 2 1 1 A 44 44 GLN CB C 44 25.161 28.563 -3.402 1
1 468 . 2 1 1 A 44 44 GLN N N 44 117.515 118.660 -1.145 1
1 470 . 2 1 1 A 45 45 ASP H H 45 8.967 8.766 0.201 1
1 471 . 2 1 1 A 45 45 ASP HA H 45 4.224 4.334 -0.110 1
1 474 . 2 1 1 A 45 45 ASP CA C 45 54.407 57.074 -2.667 1
1 475 . 2 1 1 A 45 45 ASP CB C 45 37.694 41.241 -3.547 1
1 476 . 2 1 1 A 45 45 ASP N N 45 118.351 120.151 -1.800 1
1 477 . 2 1 1 A 46 46 TYR H H 46 6.841 7.844 -1.003 1
1 478 . 2 1 1 A 46 46 TYR HA H 46 3.775 4.110 -0.335 1
1 485 . 2 1 1 A 46 46 TYR CA C 46 60.316 61.452 -1.136 1
1 486 . 2 1 1 A 46 46 TYR CB C 46 36.452 38.559 -2.107 1
1 489 . 2 1 1 A 46 46 TYR N N 46 118.500 120.585 -2.085 1
1 490 . 2 1 1 A 47 47 VAL H H 47 8.125 8.097 0.028 1
1 491 . 2 1 1 A 47 47 VAL HA H 47 2.823 3.311 -0.488 1
1 499 . 2 1 1 A 47 47 VAL CA C 47 63.553 65.693 -2.140 1
1 500 . 2 1 1 A 47 47 VAL CB C 47 27.812 30.796 -2.984 1
1 503 . 2 1 1 A 47 47 VAL N N 47 117.616 119.399 -1.783 1
1 504 . 2 1 1 A 48 48 TYR H H 48 7.857 8.072 -0.214 1
1 505 . 2 1 1 A 48 48 TYR HA H 48 3.869 4.176 -0.307 1
1 512 . 2 1 1 A 48 48 TYR CA C 48 58.622 61.297 -2.675 1
1 513 . 2 1 1 A 48 48 TYR CB C 48 35.775 38.472 -2.697 1
1 516 . 2 1 1 A 48 48 TYR N N 48 121.176 121.929 -0.753 1
1 517 . 2 1 1 A 49 49 LEU H H 49 6.926 8.344 -1.418 1
1 518 . 2 1 1 A 49 49 LEU HA H 49 3.776 3.502 0.274 1
1 528 . 2 1 1 A 49 49 LEU CA C 49 54.688 58.189 -3.501 1
1 529 . 2 1 1 A 49 49 LEU CB C 49 40.938 41.597 -0.659 1
1 533 . 2 1 1 A 49 49 LEU N N 49 116.307 119.925 -3.618 1
1 534 . 2 1 1 A 50 50 GLU H H 50 7.894 7.756 0.139 1
1 535 . 2 1 1 A 50 50 GLU HA H 50 4.212 4.035 0.177 1
1 540 . 2 1 1 A 50 50 GLU CA C 50 53.616 57.950 -4.334 1
1 541 . 2 1 1 A 50 50 GLU CB C 50 28.924 29.305 -0.381 1
1 543 . 2 1 1 A 50 50 GLU N N 50 114.774 115.841 -1.067 1
1 544 . 2 1 1 A 51 51 GLY H H 51 7.768 6.964 0.804 1
1 545 . 2 1 1 A 51 51 GLY HA2 H 51 4.168 4.003 0.165 1
1 546 . 2 1 1 A 51 51 GLY HA3 H 51 3.770 4.016 -0.246 1
1 547 . 2 1 1 A 51 51 GLY CA C 51 42.188 45.278 -3.090 1
1 548 . 2 1 1 A 51 51 GLY N N 51 109.724 103.966 5.758 1
1 549 . 2 1 1 A 52 52 THR H H 52 8.230 9.019 -0.789 1
1 550 . 2 1 1 A 52 52 THR HA H 52 3.687 4.015 -0.328 1
1 555 . 2 1 1 A 52 52 THR CA C 52 62.813 66.133 -3.320 1
1 556 . 2 1 1 A 52 52 THR CB C 52 66.564 68.938 -2.374 1
1 558 . 2 1 1 A 52 52 THR N N 52 111.611 115.097 -3.486 1
1 559 . 2 1 1 A 53 53 GLN H H 53 8.342 8.370 -0.028 1
1 560 . 2 1 1 A 53 53 GLN HA H 53 3.784 3.952 -0.168 1
1 566 . 2 1 1 A 53 53 GLN CA C 53 57.117 58.483 -1.366 1
1 567 . 2 1 1 A 53 53 GLN CB C 53 24.521 27.721 -3.200 1
1 569 . 2 1 1 A 53 53 GLN N N 53 122.288 119.333 2.955 1
1 571 . 2 1 1 A 54 54 LYS H H 54 8.236 8.012 0.224 1
1 572 . 2 1 1 A 54 54 LYS HA H 54 3.784 3.996 -0.212 1
1 579 . 2 1 1 A 54 54 LYS CA C 54 57.230 59.066 -1.836 1
1 580 . 2 1 1 A 54 54 LYS CB C 54 28.437 31.804 -3.367 1
1 584 . 2 1 1 A 54 54 LYS N N 54 121.397 118.804 2.593 1
1 585 . 2 1 1 A 55 55 ALA H H 55 7.207 8.074 -0.868 1
1 586 . 2 1 1 A 55 55 ALA HA H 55 3.893 4.272 -0.379 1
1 590 . 2 1 1 A 55 55 ALA CA C 55 49.063 54.985 -5.922 1
1 591 . 2 1 1 A 55 55 ALA CB C 55 16.562 18.394 -1.832 1
1 592 . 2 1 1 A 55 55 ALA N N 55 121.624 122.526 -0.902 1
1 593 . 2 1 1 A 56 56 LYS H H 56 8.199 7.856 0.343 1
1 594 . 2 1 1 A 56 56 LYS HA H 56 2.316 2.496 -0.180 1
1 602 . 2 1 1 A 56 56 LYS CA C 56 56.514 58.689 -2.175 1
1 603 . 2 1 1 A 56 56 LYS CB C 56 29.527 31.369 -1.842 1
1 607 . 2 1 1 A 56 56 LYS N N 56 124.153 117.741 6.412 1
1 608 . 2 1 1 A 57 57 LYS H H 57 7.801 8.428 -0.627 1
1 609 . 2 1 1 A 57 57 LYS HA H 57 3.696 3.913 -0.217 1
1 616 . 2 1 1 A 57 57 LYS CA C 57 57.305 59.606 -2.301 1
1 617 . 2 1 1 A 57 57 LYS CB C 57 29.790 32.332 -2.542 1
1 621 . 2 1 1 A 57 57 LYS N N 57 120.226 118.341 1.885 1
1 622 . 2 1 1 A 58 58 LEU H H 58 7.748 8.332 -0.584 1
1 623 . 2 1 1 A 58 58 LEU HA H 58 4.014 4.066 -0.052 1
1 633 . 2 1 1 A 58 58 LEU CA C 58 55.912 57.876 -1.964 1
1 634 . 2 1 1 A 58 58 LEU CB C 58 39.313 41.920 -2.607 1
1 638 . 2 1 1 A 58 58 LEU N N 58 118.589 120.615 -2.026 1
1 639 . 2 1 1 A 59 59 PHE H H 59 7.587 8.791 -1.204 1
1 640 . 2 1 1 A 59 59 PHE HA H 59 4.181 4.212 -0.031 1
1 648 . 2 1 1 A 59 59 PHE CA C 59 59.036 61.580 -2.544 1
1 649 . 2 1 1 A 59 59 PHE CB C 59 36.340 38.970 -2.630 1
1 653 . 2 1 1 A 59 59 PHE N N 59 122.478 119.365 3.113 1
1 654 . 2 1 1 A 60 60 LEU H H 60 8.576 9.167 -0.591 1
1 655 . 2 1 1 A 60 60 LEU HA H 60 3.528 3.697 -0.169 1
1 665 . 2 1 1 A 60 60 LEU CA C 60 55.084 58.130 -3.046 1
1 666 . 2 1 1 A 60 60 LEU CB C 60 38.259 41.482 -3.223 1
1 670 . 2 1 1 A 60 60 LEU N N 60 120.969 119.603 1.366 1
1 671 . 2 1 1 A 61 61 GLN H H 61 7.956 8.214 -0.258 1
1 672 . 2 1 1 A 61 61 GLN HA H 61 3.892 3.893 -0.001 1
1 679 . 2 1 1 A 61 61 GLN CA C 61 56.326 58.835 -2.509 1
1 680 . 2 1 1 A 61 61 GLN CB C 61 25.581 28.403 -2.822 1
1 682 . 2 1 1 A 61 61 GLN N N 61 119.668 116.468 3.200 1
1 684 . 2 1 1 A 62 62 HIS H H 62 7.487 8.134 -0.647 1
1 685 . 2 1 1 A 62 62 HIS HA H 62 4.130 4.171 -0.041 1
1 690 . 2 1 1 A 62 62 HIS CA C 62 57.531 59.919 -2.388 1
1 691 . 2 1 1 A 62 62 HIS CB C 62 28.134 29.718 -1.584 1
1 694 . 2 1 1 A 62 62 HIS N N 62 121.475 119.309 2.166 1
1 695 . 2 1 1 A 63 63 ILE H H 63 7.747 8.646 -0.900 1
1 696 . 2 1 1 A 63 63 ILE HA H 63 3.297 3.388 -0.091 1
1 706 . 2 1 1 A 63 63 ILE CA C 63 60.408 65.586 -5.178 1
1 707 . 2 1 1 A 63 63 ILE CB C 63 33.437 37.609 -4.172 1
1 710 . 2 1 1 A 63 63 ILE N N 63 116.455 120.079 -3.624 1
1 711 . 2 1 1 A 64 64 HIS H H 64 7.703 8.381 -0.678 1
1 712 . 2 1 1 A 64 64 HIS HA H 64 3.983 4.034 -0.051 1
1 718 . 2 1 1 A 64 64 HIS CA C 64 57.832 60.061 -2.229 1
1 719 . 2 1 1 A 64 64 HIS CB C 64 27.382 29.568 -2.186 1
1 722 . 2 1 1 A 64 64 HIS N N 64 118.476 119.234 -0.758 1
1 723 . 2 1 1 A 65 65 ARG H H 65 7.501 8.505 -1.004 1
1 724 . 2 1 1 A 65 65 ARG HA H 65 3.789 4.021 -0.232 1
1 731 . 2 1 1 A 65 65 ARG CA C 65 56.966 59.688 -2.722 1
1 732 . 2 1 1 A 65 65 ARG CB C 65 27.194 29.822 -2.628 1
1 735 . 2 1 1 A 65 65 ARG N N 65 119.155 118.236 0.919 1
1 736 . 2 1 1 A 66 66 LEU H H 66 7.708 8.418 -0.710 1
1 737 . 2 1 1 A 66 66 LEU HA H 66 3.791 3.841 -0.050 1
1 747 . 2 1 1 A 66 66 LEU CA C 66 54.143 57.507 -3.364 1
1 748 . 2 1 1 A 66 66 LEU CB C 66 39.688 41.615 -1.927 1
1 752 . 2 1 1 A 66 66 LEU N N 66 118.791 120.229 -1.438 1
1 753 . 2 1 1 A 67 67 LYS H H 67 7.573 7.342 0.231 1
1 754 . 2 1 1 A 67 67 LYS HA H 67 3.358 4.119 -0.761 1
1 761 . 2 1 1 A 67 67 LYS CA C 67 55.255 58.400 -3.145 1
1 762 . 2 1 1 A 67 67 LYS CB C 67 30.352 32.493 -2.141 1
1 766 . 2 1 1 A 67 67 LYS N N 67 118.232 116.974 1.258 1
1 767 . 2 1 1 A 68 68 HIS H H 68 7.398 8.287 -0.889 1
1 768 . 2 1 1 A 68 68 HIS HA H 68 4.287 4.752 -0.465 1
1 774 . 2 1 1 A 68 68 HIS CA C 68 53.438 54.323 -0.885 1
1 775 . 2 1 1 A 68 68 HIS CB C 68 27.156 30.232 -3.076 1
1 778 . 2 1 1 A 68 68 HIS N N 68 116.826 113.303 3.523 1
1 17 . 3 1 1 A 6 6 GLN H H 6 8.338 8.119 0.219 1
1 18 . 3 1 1 A 6 6 GLN HA H 6 4.087 4.009 0.077 1
1 23 . 3 1 1 A 6 6 GLN CA C 6 54.294 59.056 -4.762 1
1 24 . 3 1 1 A 6 6 GLN CB C 6 25.937 28.680 -2.743 1
1 26 . 3 1 1 A 7 7 GLN H H 7 8.102 8.161 -0.059 1
1 27 . 3 1 1 A 7 7 GLN HA H 7 4.022 4.159 -0.137 1
1 33 . 3 1 1 A 7 7 GLN CA C 7 54.971 58.815 -3.844 1
1 34 . 3 1 1 A 7 7 GLN CB C 7 26.139 28.072 -1.933 1
1 36 . 3 1 1 A 7 7 GLN N N 7 121.077 118.108 2.969 1
1 38 . 3 1 1 A 8 8 ILE H H 8 7.931 7.929 0.002 1
1 39 . 3 1 1 A 8 8 ILE HA H 8 3.707 3.867 -0.160 1
1 49 . 3 1 1 A 8 8 ILE CA C 8 60.313 64.287 -3.974 1
1 50 . 3 1 1 A 8 8 ILE CB C 8 35.549 37.181 -1.632 1
1 54 . 3 1 1 A 8 8 ILE N N 8 121.658 119.703 1.955 1
1 55 . 3 1 1 A 9 9 ALA H H 9 8.066 7.869 0.198 1
1 56 . 3 1 1 A 9 9 ALA HA H 9 4.154 4.354 -0.200 1
1 60 . 3 1 1 A 9 9 ALA CA C 9 51.535 54.408 -2.873 1
1 61 . 3 1 1 A 9 9 ALA CB C 9 16.982 19.467 -2.486 1
1 62 . 3 1 1 A 9 9 ALA N N 9 125.451 123.738 1.713 1
1 63 . 3 1 1 A 10 10 THR H H 10 8.341 8.112 0.229 1
1 64 . 3 1 1 A 10 10 THR HA H 10 4.080 4.141 -0.061 1
1 69 . 3 1 1 A 10 10 THR CA C 10 60.938 65.050 -4.112 1
1 70 . 3 1 1 A 10 10 THR CB C 10 67.814 68.305 -0.491 1
1 72 . 3 1 1 A 10 10 THR N N 10 113.598 111.495 2.103 1
1 73 . 3 1 1 A 11 11 ALA H H 11 8.169 8.378 -0.209 1
1 74 . 3 1 1 A 11 11 ALA HA H 11 3.978 4.048 -0.070 1
1 78 . 3 1 1 A 11 11 ALA CA C 11 52.638 55.568 -2.930 1
1 79 . 3 1 1 A 11 11 ALA CB C 11 15.450 18.511 -3.061 1
1 80 . 3 1 1 A 12 12 LYS H H 12 8.742 8.027 0.715 1
1 81 . 3 1 1 A 12 12 LYS HA H 12 3.433 3.723 -0.290 1
1 89 . 3 1 1 A 12 12 LYS CA C 12 57.832 59.557 -1.725 1
1 90 . 3 1 1 A 12 12 LYS CB C 12 29.978 32.367 -2.389 1
1 93 . 3 1 1 A 12 12 LYS N N 12 121.423 118.489 2.934 1
1 94 . 3 1 1 A 13 13 ASP H H 13 7.689 8.760 -1.071 1
1 95 . 3 1 1 A 13 13 ASP HA H 13 4.026 4.286 -0.260 1
1 98 . 3 1 1 A 13 13 ASP CA C 13 54.896 57.593 -2.697 1
1 99 . 3 1 1 A 13 13 ASP CB C 13 37.904 42.043 -4.139 1
1 100 . 3 1 1 A 13 13 ASP N N 13 119.535 119.428 0.107 1
1 101 . 3 1 1 A 14 14 LYS H H 14 7.806 8.409 -0.604 1
1 102 . 3 1 1 A 14 14 LYS HA H 14 3.803 4.239 -0.436 1
1 105 . 3 1 1 A 14 14 LYS CA C 14 56.563 58.972 -2.409 1
1 106 . 3 1 1 A 14 14 LYS N N 14 117.395 119.797 -2.402 1
1 107 . 3 1 1 A 15 15 TYR H H 15 7.867 8.298 -0.430 1
1 108 . 3 1 1 A 15 15 TYR HA H 15 4.038 4.205 -0.167 1
1 115 . 3 1 1 A 15 15 TYR CA C 15 58.284 61.809 -3.525 1
1 116 . 3 1 1 A 15 15 TYR CB C 15 35.361 38.661 -3.300 1
1 119 . 3 1 1 A 15 15 TYR N N 15 120.763 121.210 -0.447 1
1 120 . 3 1 1 A 16 16 GLU H H 16 8.575 8.794 -0.219 1
1 121 . 3 1 1 A 16 16 GLU HA H 16 3.178 3.829 -0.651 1
1 126 . 3 1 1 A 16 16 GLU CA C 16 58.622 59.020 -0.398 1
1 127 . 3 1 1 A 16 16 GLU CB C 16 26.562 28.989 -2.427 1
1 129 . 3 1 1 A 16 16 GLU N N 16 119.244 117.040 2.204 1
1 130 . 3 1 1 A 17 17 TRP H H 17 8.082 7.792 0.290 1
1 131 . 3 1 1 A 17 17 TRP HA H 17 4.124 4.828 -0.704 1
1 140 . 3 1 1 A 17 17 TRP CA C 17 57.229 61.036 -3.807 1
1 141 . 3 1 1 A 17 17 TRP CB C 17 25.612 29.585 -3.973 1
1 147 . 3 1 1 A 17 17 TRP N N 17 120.589 123.185 -2.596 1
1 149 . 3 1 1 A 18 18 LEU H H 18 7.619 8.853 -1.234 1
1 150 . 3 1 1 A 18 18 LEU HA H 18 3.553 3.040 0.513 1
1 160 . 3 1 1 A 18 18 LEU CA C 18 55.837 57.750 -1.913 1
1 161 . 3 1 1 A 18 18 LEU CB C 18 38.786 41.489 -2.703 1
1 165 . 3 1 1 A 18 18 LEU N N 18 122.925 119.631 3.294 1
1 166 . 3 1 1 A 19 19 VAL H H 19 8.069 8.075 -0.006 1
1 167 . 3 1 1 A 19 19 VAL HA H 19 3.060 3.374 -0.314 1
1 175 . 3 1 1 A 19 19 VAL CA C 19 64.268 66.633 -2.365 1
1 176 . 3 1 1 A 19 19 VAL CB C 19 28.849 31.261 -2.412 1
1 179 . 3 1 1 A 19 19 VAL N N 19 118.738 118.202 0.536 1
1 180 . 3 1 1 A 20 20 SER H H 20 7.380 7.693 -0.313 1
1 181 . 3 1 1 A 20 20 SER HA H 20 3.569 4.370 -0.801 1
1 184 . 3 1 1 A 20 20 SER CA C 20 59.063 60.650 -1.587 1
1 185 . 3 1 1 A 20 20 SER CB C 20 60.354 62.750 -2.396 1
1 186 . 3 1 1 A 20 20 SER N N 20 111.215 113.696 -2.481 1
1 187 . 3 1 1 A 21 21 ARG H H 21 7.290 8.367 -1.077 1
1 188 . 3 1 1 A 21 21 ARG HA H 21 3.860 4.143 -0.283 1
1 195 . 3 1 1 A 21 21 ARG CA C 21 55.197 57.970 -2.773 1
1 196 . 3 1 1 A 21 21 ARG CB C 21 28.021 29.416 -1.395 1
1 199 . 3 1 1 A 21 21 ARG N N 21 119.898 121.947 -2.049 1
1 200 . 3 1 1 A 22 22 ILE H H 22 7.695 7.157 0.538 1
1 201 . 3 1 1 A 22 22 ILE HA H 22 3.900 4.085 -0.185 1
1 211 . 3 1 1 A 22 22 ILE CA C 22 59.337 62.830 -3.493 1
1 212 . 3 1 1 A 22 22 ILE CB C 22 36.562 38.645 -2.083 1
1 216 . 3 1 1 A 22 22 ILE N N 22 116.745 119.081 -2.336 1
1 217 . 3 1 1 A 23 23 VAL H H 23 7.969 7.706 0.263 1
1 218 . 3 1 1 A 23 23 VAL HA H 23 3.887 4.263 -0.376 1
1 226 . 3 1 1 A 23 23 VAL CA C 23 60.956 62.905 -1.949 1
1 227 . 3 1 1 A 23 23 VAL CB C 23 28.307 31.553 -3.246 1
1 230 . 3 1 1 A 23 23 VAL N N 23 122.152 120.404 1.748 1
1 231 . 3 1 1 A 24 24 LYS H H 24 9.007 9.075 -0.068 1
1 232 . 3 1 1 A 24 24 LYS HA H 24 4.285 4.606 -0.321 1
1 239 . 3 1 1 A 24 24 LYS CA C 24 52.838 57.563 -4.725 1
1 240 . 3 1 1 A 24 24 LYS CB C 24 30.937 34.902 -3.965 1
1 244 . 3 1 1 A 24 24 LYS N N 24 127.138 129.407 -2.269 1
1 245 . 3 1 1 A 25 25 ASN H H 25 7.936 7.995 -0.059 1
1 246 . 3 1 1 A 25 25 ASN HA H 25 4.727 4.578 0.149 1
1 251 . 3 1 1 A 25 25 ASN CA C 25 49.688 52.099 -2.411 1
1 252 . 3 1 1 A 25 25 ASN CB C 25 38.574 37.416 1.158 1
1 253 . 3 1 1 A 25 25 ASN N N 25 116.900 113.922 2.978 1
1 255 . 3 1 1 A 26 26 HIS H H 26 8.035 8.178 -0.143 1
1 256 . 3 1 1 A 26 26 HIS HA H 26 4.096 4.376 -0.280 1
1 262 . 3 1 1 A 26 26 HIS CA C 26 54.755 57.446 -2.692 1
1 263 . 3 1 1 A 26 26 HIS CB C 26 27.832 27.611 0.221 1
1 266 . 3 1 1 A 26 26 HIS N N 26 117.740 117.946 -0.206 1
1 267 . 3 1 1 A 27 27 ASN H H 27 7.949 7.990 -0.041 1
1 268 . 3 1 1 A 27 27 ASN HA H 27 4.537 4.897 -0.360 1
1 273 . 3 1 1 A 27 27 ASN CA C 27 50.304 52.876 -2.572 1
1 274 . 3 1 1 A 27 27 ASN CB C 27 35.850 38.742 -2.892 1
1 275 . 3 1 1 A 27 27 ASN N N 27 117.497 117.144 0.353 1
1 277 . 3 1 1 A 28 28 GLU H H 28 7.020 7.966 -0.946 1
1 278 . 3 1 1 A 28 28 GLU HA H 28 4.171 4.713 -0.542 1
1 283 . 3 1 1 A 28 28 GLU CA C 28 54.971 55.448 -0.477 1
1 284 . 3 1 1 A 28 28 GLU CB C 28 28.398 31.462 -3.064 1
1 286 . 3 1 1 A 28 28 GLU N N 28 120.910 118.465 2.445 1
1 287 . 3 1 1 A 29 29 ASN H H 29 8.539 8.736 -0.197 1
1 288 . 3 1 1 A 29 29 ASN HA H 29 5.055 5.433 -0.378 1
1 293 . 3 1 1 A 29 29 ASN CA C 29 49.375 52.009 -2.634 1
1 294 . 3 1 1 A 29 29 ASN CB C 29 38.824 40.459 -1.635 1
1 295 . 3 1 1 A 29 29 ASN N N 29 118.857 117.510 1.347 1
1 297 . 3 1 1 A 30 30 TRP H H 30 9.219 9.068 0.151 1
1 298 . 3 1 1 A 30 30 TRP HA H 30 3.637 3.111 0.526 1
1 307 . 3 1 1 A 30 30 TRP CA C 30 55.988 60.917 -4.929 1
1 308 . 3 1 1 A 30 30 TRP CB C 30 27.757 29.991 -2.234 1
1 314 . 3 1 1 A 30 30 TRP N N 30 122.308 127.053 -4.745 1
1 316 . 3 1 1 A 31 31 LEU H H 31 8.329 8.472 -0.143 1
1 317 . 3 1 1 A 31 31 LEU HA H 31 3.302 3.338 -0.036 1
1 327 . 3 1 1 A 31 31 LEU CA C 31 55.874 57.590 -1.716 1
1 328 . 3 1 1 A 31 31 LEU CB C 31 38.372 41.691 -3.319 1
1 332 . 3 1 1 A 31 31 LEU N N 31 120.479 119.748 0.731 1
1 333 . 3 1 1 A 32 32 SER H H 32 7.521 7.859 -0.339 1
1 334 . 3 1 1 A 32 32 SER HA H 32 3.893 3.973 -0.079 1
1 337 . 3 1 1 A 32 32 SER CA C 32 58.245 62.672 -4.427 1
1 338 . 3 1 1 A 32 32 SER CB C 32 60.316 62.919 -2.603 1
1 339 . 3 1 1 A 32 32 SER N N 32 112.204 113.979 -1.775 1
1 340 . 3 1 1 A 33 33 VAL H H 33 7.873 8.039 -0.166 1
1 341 . 3 1 1 A 33 33 VAL HA H 33 3.293 3.861 -0.568 1
1 349 . 3 1 1 A 33 33 VAL CA C 33 63.629 65.010 -1.381 1
1 350 . 3 1 1 A 33 33 VAL CB C 33 29.000 31.063 -2.063 1
1 353 . 3 1 1 A 33 33 VAL N N 33 121.321 118.558 2.763 1
1 354 . 3 1 1 A 34 34 SER H H 34 8.213 7.964 0.249 1
1 355 . 3 1 1 A 34 34 SER HA H 34 2.777 3.683 -0.906 1
1 358 . 3 1 1 A 34 34 SER CA C 34 59.063 60.883 -1.820 1
1 359 . 3 1 1 A 34 34 SER CB C 34 58.438 62.484 -4.046 1
1 360 . 3 1 1 A 34 34 SER N N 34 116.084 118.153 -2.069 1
1 361 . 3 1 1 A 35 35 ARG H H 35 6.651 7.930 -1.279 1
1 362 . 3 1 1 A 35 35 ARG HA H 35 3.649 3.850 -0.201 1
1 367 . 3 1 1 A 35 35 ARG CA C 35 56.778 59.392 -2.614 1
1 368 . 3 1 1 A 35 35 ARG CB C 35 26.892 29.967 -3.075 1
1 371 . 3 1 1 A 35 35 ARG N N 35 120.706 121.991 -1.285 1
1 372 . 3 1 1 A 36 36 LYS H H 36 7.074 7.822 -0.748 1
1 373 . 3 1 1 A 36 36 LYS HA H 36 3.840 3.891 -0.051 1
1 380 . 3 1 1 A 36 36 LYS CA C 36 56.288 59.114 -2.826 1
1 381 . 3 1 1 A 36 36 LYS CB C 36 30.091 32.128 -2.037 1
1 385 . 3 1 1 A 36 36 LYS N N 36 118.246 119.478 -1.232 1
1 386 . 3 1 1 A 37 37 MET H H 37 7.362 8.720 -1.359 1
1 387 . 3 1 1 A 37 37 MET HA H 37 3.958 3.928 0.030 1
1 395 . 3 1 1 A 37 37 MET CA C 37 54.972 58.237 -3.265 1
1 396 . 3 1 1 A 37 37 MET CB C 37 31.521 31.041 0.480 1
1 398 . 3 1 1 A 37 37 MET N N 37 116.022 118.038 -2.016 1
1 399 . 3 1 1 A 38 38 GLN H H 38 6.836 8.312 -1.476 1
1 400 . 3 1 1 A 38 38 GLN HA H 38 3.455 3.754 -0.299 1
1 406 . 3 1 1 A 38 38 GLN CA C 38 55.938 57.687 -1.749 1
1 407 . 3 1 1 A 38 38 GLN CB C 38 25.312 27.704 -2.392 1
1 409 . 3 1 1 A 38 38 GLN N N 38 116.745 117.196 -0.451 1
1 411 . 3 1 1 A 39 39 ALA H H 39 7.636 7.263 0.372 1
1 412 . 3 1 1 A 39 39 ALA HA H 39 4.210 4.249 -0.039 1
1 416 . 3 1 1 A 39 39 ALA CA C 39 50.313 52.809 -2.496 1
1 417 . 3 1 1 A 39 39 ALA CB C 39 16.278 18.689 -2.411 1
1 418 . 3 1 1 A 39 39 ALA N N 39 118.576 121.638 -3.062 1
1 419 . 3 1 1 A 40 40 SER H H 40 8.246 7.928 0.318 1
1 420 . 3 1 1 A 40 40 SER HA H 40 4.681 4.900 -0.219 1
1 423 . 3 1 1 A 40 40 SER CA C 40 55.122 55.152 -0.030 1
1 424 . 3 1 1 A 40 40 SER CB C 40 60.938 64.513 -3.575 1
1 425 . 3 1 1 A 40 40 SER N N 40 119.184 113.671 5.513 1
1 426 . 3 1 1 A 41 41 PRO HA H 41 4.083 4.357 -0.274 1
1 432 . 3 1 1 A 41 41 PRO CA C 41 62.800 65.523 -2.723 1
1 434 . 3 1 1 A 42 42 GLU H H 42 9.832 8.554 1.278 1
1 435 . 3 1 1 A 42 42 GLU HA H 42 3.961 4.237 -0.276 1
1 440 . 3 1 1 A 42 42 GLU CA C 42 57.832 59.425 -1.593 1
1 441 . 3 1 1 A 42 42 GLU CB C 42 27.812 29.422 -1.610 1
1 443 . 3 1 1 A 42 42 GLU N N 42 115.590 117.689 -2.099 1
1 444 . 3 1 1 A 43 43 TYR H H 43 7.138 8.350 -1.212 1
1 445 . 3 1 1 A 43 43 TYR HA H 43 4.192 4.702 -0.510 1
1 452 . 3 1 1 A 43 43 TYR CA C 43 58.438 62.134 -3.696 1
1 453 . 3 1 1 A 43 43 TYR CB C 43 37.812 39.211 -1.399 1
1 456 . 3 1 1 A 43 43 TYR N N 43 118.651 121.631 -2.980 1
1 457 . 3 1 1 A 44 44 GLN H H 44 7.832 8.230 -0.398 1
1 458 . 3 1 1 A 44 44 GLN HA H 44 3.506 3.818 -0.312 1
1 465 . 3 1 1 A 44 44 GLN CA C 44 56.110 58.052 -1.942 1
1 466 . 3 1 1 A 44 44 GLN CB C 44 25.161 28.234 -3.073 1
1 468 . 3 1 1 A 44 44 GLN N N 44 117.515 118.059 -0.544 1
1 470 . 3 1 1 A 45 45 ASP H H 45 8.967 8.597 0.370 1
1 471 . 3 1 1 A 45 45 ASP HA H 45 4.224 4.298 -0.074 1
1 474 . 3 1 1 A 45 45 ASP CA C 45 54.407 57.329 -2.922 1
1 475 . 3 1 1 A 45 45 ASP CB C 45 37.694 41.013 -3.319 1
1 476 . 3 1 1 A 45 45 ASP N N 45 118.351 120.165 -1.814 1
1 477 . 3 1 1 A 46 46 TYR H H 46 6.841 7.898 -1.057 1
1 478 . 3 1 1 A 46 46 TYR HA H 46 3.775 4.079 -0.304 1
1 485 . 3 1 1 A 46 46 TYR CA C 46 60.316 60.976 -0.660 1
1 486 . 3 1 1 A 46 46 TYR CB C 46 36.452 38.672 -2.220 1
1 489 . 3 1 1 A 46 46 TYR N N 46 118.500 122.474 -3.974 1
1 490 . 3 1 1 A 47 47 VAL H H 47 8.125 7.724 0.401 1
1 491 . 3 1 1 A 47 47 VAL HA H 47 2.823 3.293 -0.470 1
1 499 . 3 1 1 A 47 47 VAL CA C 47 63.553 65.750 -2.197 1
1 500 . 3 1 1 A 47 47 VAL CB C 47 27.812 30.806 -2.994 1
1 503 . 3 1 1 A 47 47 VAL N N 47 117.616 119.557 -1.941 1
1 504 . 3 1 1 A 48 48 TYR H H 48 7.857 8.050 -0.193 1
1 505 . 3 1 1 A 48 48 TYR HA H 48 3.869 4.185 -0.316 1
1 512 . 3 1 1 A 48 48 TYR CA C 48 58.622 61.313 -2.691 1
1 513 . 3 1 1 A 48 48 TYR CB C 48 35.775 38.675 -2.900 1
1 516 . 3 1 1 A 48 48 TYR N N 48 121.176 121.893 -0.717 1
1 517 . 3 1 1 A 49 49 LEU H H 49 6.926 8.434 -1.508 1
1 518 . 3 1 1 A 49 49 LEU HA H 49 3.776 3.580 0.196 1
1 528 . 3 1 1 A 49 49 LEU CA C 49 54.688 58.191 -3.503 1
1 529 . 3 1 1 A 49 49 LEU CB C 49 40.938 41.518 -0.580 1
1 533 . 3 1 1 A 49 49 LEU N N 49 116.307 120.028 -3.721 1
1 534 . 3 1 1 A 50 50 GLU H H 50 7.894 7.747 0.147 1
1 535 . 3 1 1 A 50 50 GLU HA H 50 4.212 4.035 0.177 1
1 540 . 3 1 1 A 50 50 GLU CA C 50 53.616 57.824 -4.208 1
1 541 . 3 1 1 A 50 50 GLU CB C 50 28.924 29.709 -0.785 1
1 543 . 3 1 1 A 50 50 GLU N N 50 114.774 115.678 -0.904 1
1 544 . 3 1 1 A 51 51 GLY H H 51 7.768 6.503 1.265 1
1 545 . 3 1 1 A 51 51 GLY HA2 H 51 4.168 4.007 0.161 1
1 546 . 3 1 1 A 51 51 GLY HA3 H 51 3.770 4.021 -0.251 1
1 547 . 3 1 1 A 51 51 GLY CA C 51 42.188 44.930 -2.742 1
1 548 . 3 1 1 A 51 51 GLY N N 51 109.724 104.194 5.530 1
1 549 . 3 1 1 A 52 52 THR H H 52 8.230 8.907 -0.677 1
1 550 . 3 1 1 A 52 52 THR HA H 52 3.687 4.054 -0.367 1
1 555 . 3 1 1 A 52 52 THR CA C 52 62.813 66.086 -3.273 1
1 556 . 3 1 1 A 52 52 THR CB C 52 66.564 68.960 -2.396 1
1 558 . 3 1 1 A 52 52 THR N N 52 111.611 113.990 -2.379 1
1 559 . 3 1 1 A 53 53 GLN H H 53 8.342 7.814 0.528 1
1 560 . 3 1 1 A 53 53 GLN HA H 53 3.784 4.067 -0.283 1
1 566 . 3 1 1 A 53 53 GLN CA C 53 57.117 58.913 -1.796 1
1 567 . 3 1 1 A 53 53 GLN CB C 53 24.521 28.462 -3.941 1
1 569 . 3 1 1 A 53 53 GLN N N 53 122.288 120.235 2.053 1
1 571 . 3 1 1 A 54 54 LYS H H 54 8.236 7.889 0.347 1
1 572 . 3 1 1 A 54 54 LYS HA H 54 3.784 4.012 -0.228 1
1 579 . 3 1 1 A 54 54 LYS CA C 54 57.230 59.288 -2.058 1
1 580 . 3 1 1 A 54 54 LYS CB C 54 28.437 32.292 -3.855 1
1 584 . 3 1 1 A 54 54 LYS N N 54 121.397 119.168 2.229 1
1 585 . 3 1 1 A 55 55 ALA H H 55 7.207 8.009 -0.802 1
1 586 . 3 1 1 A 55 55 ALA HA H 55 3.893 4.204 -0.311 1
1 590 . 3 1 1 A 55 55 ALA CA C 55 49.063 55.173 -6.110 1
1 591 . 3 1 1 A 55 55 ALA CB C 55 16.562 18.547 -1.985 1
1 592 . 3 1 1 A 55 55 ALA N N 55 121.624 122.400 -0.776 1
1 593 . 3 1 1 A 56 56 LYS H H 56 8.199 8.008 0.191 1
1 594 . 3 1 1 A 56 56 LYS HA H 56 2.316 2.461 -0.145 1
1 602 . 3 1 1 A 56 56 LYS CA C 56 56.514 58.919 -2.405 1
1 603 . 3 1 1 A 56 56 LYS CB C 56 29.527 31.799 -2.272 1
1 607 . 3 1 1 A 56 56 LYS N N 56 124.153 117.850 6.303 1
1 608 . 3 1 1 A 57 57 LYS H H 57 7.801 7.640 0.162 1
1 609 . 3 1 1 A 57 57 LYS HA H 57 3.696 4.015 -0.319 1
1 616 . 3 1 1 A 57 57 LYS CA C 57 57.305 59.309 -2.004 1
1 617 . 3 1 1 A 57 57 LYS CB C 57 29.790 32.500 -2.710 1
1 621 . 3 1 1 A 57 57 LYS N N 57 120.226 117.876 2.350 1
1 622 . 3 1 1 A 58 58 LEU H H 58 7.748 8.064 -0.316 1
1 623 . 3 1 1 A 58 58 LEU HA H 58 4.014 4.040 -0.026 1
1 633 . 3 1 1 A 58 58 LEU CA C 58 55.912 57.652 -1.740 1
1 634 . 3 1 1 A 58 58 LEU CB C 58 39.313 41.934 -2.621 1
1 638 . 3 1 1 A 58 58 LEU N N 58 118.589 121.125 -2.536 1
1 639 . 3 1 1 A 59 59 PHE H H 59 7.587 8.817 -1.230 1
1 640 . 3 1 1 A 59 59 PHE HA H 59 4.181 4.141 0.040 1
1 648 . 3 1 1 A 59 59 PHE CA C 59 59.036 61.403 -2.367 1
1 649 . 3 1 1 A 59 59 PHE CB C 59 36.340 38.890 -2.550 1
1 653 . 3 1 1 A 59 59 PHE N N 59 122.478 119.257 3.221 1
1 654 . 3 1 1 A 60 60 LEU H H 60 8.576 9.177 -0.601 1
1 655 . 3 1 1 A 60 60 LEU HA H 60 3.528 3.600 -0.072 1
1 665 . 3 1 1 A 60 60 LEU CA C 60 55.084 58.097 -3.013 1
1 666 . 3 1 1 A 60 60 LEU CB C 60 38.259 41.588 -3.329 1
1 670 . 3 1 1 A 60 60 LEU N N 60 120.969 119.512 1.457 1
1 671 . 3 1 1 A 61 61 GLN H H 61 7.956 8.637 -0.681 1
1 672 . 3 1 1 A 61 61 GLN HA H 61 3.892 4.030 -0.138 1
1 679 . 3 1 1 A 61 61 GLN CA C 61 56.326 58.176 -1.850 1
1 680 . 3 1 1 A 61 61 GLN CB C 61 25.581 28.497 -2.916 1
1 682 . 3 1 1 A 61 61 GLN N N 61 119.668 117.260 2.408 1
1 684 . 3 1 1 A 62 62 HIS H H 62 7.487 7.941 -0.454 1
1 685 . 3 1 1 A 62 62 HIS HA H 62 4.130 4.322 -0.192 1
1 690 . 3 1 1 A 62 62 HIS CA C 62 57.531 59.937 -2.406 1
1 691 . 3 1 1 A 62 62 HIS CB C 62 28.134 30.131 -1.997 1
1 694 . 3 1 1 A 62 62 HIS N N 62 121.475 119.440 2.035 1
1 695 . 3 1 1 A 63 63 ILE H H 63 7.747 8.453 -0.706 1
1 696 . 3 1 1 A 63 63 ILE HA H 63 3.297 3.410 -0.113 1
1 706 . 3 1 1 A 63 63 ILE CA C 63 60.408 65.527 -5.119 1
1 707 . 3 1 1 A 63 63 ILE CB C 63 33.437 37.656 -4.219 1
1 710 . 3 1 1 A 63 63 ILE N N 63 116.455 119.798 -3.343 1
1 711 . 3 1 1 A 64 64 HIS H H 64 7.703 8.403 -0.700 1
1 712 . 3 1 1 A 64 64 HIS HA H 64 3.983 4.125 -0.142 1
1 718 . 3 1 1 A 64 64 HIS CA C 64 57.832 60.201 -2.369 1
1 719 . 3 1 1 A 64 64 HIS CB C 64 27.382 29.540 -2.158 1
1 722 . 3 1 1 A 64 64 HIS N N 64 118.476 118.964 -0.488 1
1 723 . 3 1 1 A 65 65 ARG H H 65 7.501 8.311 -0.810 1
1 724 . 3 1 1 A 65 65 ARG HA H 65 3.789 3.941 -0.152 1
1 731 . 3 1 1 A 65 65 ARG CA C 65 56.966 59.663 -2.697 1
1 732 . 3 1 1 A 65 65 ARG CB C 65 27.194 29.857 -2.663 1
1 735 . 3 1 1 A 65 65 ARG N N 65 119.155 117.518 1.637 1
1 736 . 3 1 1 A 66 66 LEU H H 66 7.708 8.517 -0.809 1
1 737 . 3 1 1 A 66 66 LEU HA H 66 3.791 3.881 -0.090 1
1 747 . 3 1 1 A 66 66 LEU CA C 66 54.143 58.015 -3.872 1
1 748 . 3 1 1 A 66 66 LEU CB C 66 39.688 41.726 -2.038 1
1 752 . 3 1 1 A 66 66 LEU N N 66 118.791 120.026 -1.235 1
1 753 . 3 1 1 A 67 67 LYS H H 67 7.573 7.564 0.009 1
1 754 . 3 1 1 A 67 67 LYS HA H 67 3.358 4.154 -0.796 1
1 761 . 3 1 1 A 67 67 LYS CA C 67 55.255 57.805 -2.550 1
1 762 . 3 1 1 A 67 67 LYS CB C 67 30.352 32.825 -2.473 1
1 766 . 3 1 1 A 67 67 LYS N N 67 118.232 116.332 1.900 1
1 767 . 3 1 1 A 68 68 HIS H H 68 7.398 8.105 -0.707 1
1 768 . 3 1 1 A 68 68 HIS HA H 68 4.287 4.728 -0.441 1
1 774 . 3 1 1 A 68 68 HIS CA C 68 53.438 54.872 -1.434 1
1 775 . 3 1 1 A 68 68 HIS CB C 68 27.156 31.501 -4.345 1
1 778 . 3 1 1 A 68 68 HIS N N 68 116.826 113.005 3.821 1
1 17 . 4 1 1 A 6 6 GLN H H 6 8.338 8.173 0.165 1
1 18 . 4 1 1 A 6 6 GLN HA H 6 4.087 4.072 0.015 1
1 23 . 4 1 1 A 6 6 GLN CA C 6 54.294 58.897 -4.603 1
1 24 . 4 1 1 A 6 6 GLN CB C 6 25.937 28.286 -2.349 1
1 26 . 4 1 1 A 7 7 GLN H H 7 8.102 8.083 0.019 1
1 27 . 4 1 1 A 7 7 GLN HA H 7 4.022 4.435 -0.413 1
1 33 . 4 1 1 A 7 7 GLN CA C 7 54.971 58.779 -3.808 1
1 34 . 4 1 1 A 7 7 GLN CB C 7 26.139 28.488 -2.349 1
1 36 . 4 1 1 A 7 7 GLN N N 7 121.077 119.825 1.252 1
1 38 . 4 1 1 A 8 8 ILE H H 8 7.931 8.065 -0.134 1
1 39 . 4 1 1 A 8 8 ILE HA H 8 3.707 3.828 -0.121 1
1 49 . 4 1 1 A 8 8 ILE CA C 8 60.313 65.103 -4.790 1
1 50 . 4 1 1 A 8 8 ILE CB C 8 35.549 37.705 -2.156 1
1 54 . 4 1 1 A 8 8 ILE N N 8 121.658 119.616 2.042 1
1 55 . 4 1 1 A 9 9 ALA H H 9 8.066 7.562 0.504 1
1 56 . 4 1 1 A 9 9 ALA HA H 9 4.154 4.478 -0.324 1
1 60 . 4 1 1 A 9 9 ALA CA C 9 51.535 53.918 -2.382 1
1 61 . 4 1 1 A 9 9 ALA CB C 9 16.982 19.812 -2.830 1
1 62 . 4 1 1 A 9 9 ALA N N 9 125.451 122.741 2.710 1
1 63 . 4 1 1 A 10 10 THR H H 10 8.341 8.413 -0.072 1
1 64 . 4 1 1 A 10 10 THR HA H 10 4.080 4.191 -0.111 1
1 69 . 4 1 1 A 10 10 THR CA C 10 60.938 65.067 -4.129 1
1 70 . 4 1 1 A 10 10 THR CB C 10 67.814 68.306 -0.492 1
1 72 . 4 1 1 A 10 10 THR N N 10 113.598 111.568 2.030 1
1 73 . 4 1 1 A 11 11 ALA H H 11 8.169 8.321 -0.152 1
1 74 . 4 1 1 A 11 11 ALA HA H 11 3.978 4.035 -0.057 1
1 78 . 4 1 1 A 11 11 ALA CA C 11 52.638 55.587 -2.949 1
1 79 . 4 1 1 A 11 11 ALA CB C 11 15.450 18.261 -2.811 1
1 80 . 4 1 1 A 12 12 LYS H H 12 8.742 8.100 0.642 1
1 81 . 4 1 1 A 12 12 LYS HA H 12 3.433 3.781 -0.348 1
1 89 . 4 1 1 A 12 12 LYS CA C 12 57.832 59.818 -1.986 1
1 90 . 4 1 1 A 12 12 LYS CB C 12 29.978 32.533 -2.555 1
1 93 . 4 1 1 A 12 12 LYS N N 12 121.423 118.649 2.774 1
1 94 . 4 1 1 A 13 13 ASP H H 13 7.689 9.086 -1.397 1
1 95 . 4 1 1 A 13 13 ASP HA H 13 4.026 4.279 -0.253 1
1 98 . 4 1 1 A 13 13 ASP CA C 13 54.896 57.542 -2.646 1
1 99 . 4 1 1 A 13 13 ASP CB C 13 37.904 42.112 -4.208 1
1 100 . 4 1 1 A 13 13 ASP N N 13 119.535 119.466 0.069 1
1 101 . 4 1 1 A 14 14 LYS H H 14 7.806 8.595 -0.789 1
1 102 . 4 1 1 A 14 14 LYS HA H 14 3.803 4.270 -0.467 1
1 105 . 4 1 1 A 14 14 LYS CA C 14 56.563 59.557 -2.994 1
1 106 . 4 1 1 A 14 14 LYS N N 14 117.395 118.830 -1.435 1
1 107 . 4 1 1 A 15 15 TYR H H 15 7.867 8.366 -0.498 1
1 108 . 4 1 1 A 15 15 TYR HA H 15 4.038 4.156 -0.117 1
1 115 . 4 1 1 A 15 15 TYR CA C 15 58.284 61.630 -3.346 1
1 116 . 4 1 1 A 15 15 TYR CB C 15 35.361 38.604 -3.243 1
1 119 . 4 1 1 A 15 15 TYR N N 15 120.763 120.717 0.046 1
1 120 . 4 1 1 A 16 16 GLU H H 16 8.575 9.212 -0.637 1
1 121 . 4 1 1 A 16 16 GLU HA H 16 3.178 3.834 -0.656 1
1 126 . 4 1 1 A 16 16 GLU CA C 16 58.622 59.197 -0.575 1
1 127 . 4 1 1 A 16 16 GLU CB C 16 26.562 29.284 -2.722 1
1 129 . 4 1 1 A 16 16 GLU N N 16 119.244 117.235 2.009 1
1 130 . 4 1 1 A 17 17 TRP H H 17 8.082 7.788 0.294 1
1 131 . 4 1 1 A 17 17 TRP HA H 17 4.124 4.634 -0.510 1
1 140 . 4 1 1 A 17 17 TRP CA C 17 57.229 60.975 -3.746 1
1 141 . 4 1 1 A 17 17 TRP CB C 17 25.612 29.662 -4.050 1
1 147 . 4 1 1 A 17 17 TRP N N 17 120.589 122.469 -1.880 1
1 149 . 4 1 1 A 18 18 LEU H H 18 7.619 8.754 -1.135 1
1 150 . 4 1 1 A 18 18 LEU HA H 18 3.553 2.968 0.585 1
1 160 . 4 1 1 A 18 18 LEU CA C 18 55.837 57.701 -1.864 1
1 161 . 4 1 1 A 18 18 LEU CB C 18 38.786 41.439 -2.653 1
1 165 . 4 1 1 A 18 18 LEU N N 18 122.925 120.142 2.783 1
1 166 . 4 1 1 A 19 19 VAL H H 19 8.069 8.057 0.012 1
1 167 . 4 1 1 A 19 19 VAL HA H 19 3.060 3.434 -0.374 1
1 175 . 4 1 1 A 19 19 VAL CA C 19 64.268 66.650 -2.382 1
1 176 . 4 1 1 A 19 19 VAL CB C 19 28.849 31.145 -2.296 1
1 179 . 4 1 1 A 19 19 VAL N N 19 118.738 118.686 0.052 1
1 180 . 4 1 1 A 20 20 SER H H 20 7.380 7.535 -0.155 1
1 181 . 4 1 1 A 20 20 SER HA H 20 3.569 4.395 -0.826 1
1 184 . 4 1 1 A 20 20 SER CA C 20 59.063 60.699 -1.636 1
1 185 . 4 1 1 A 20 20 SER CB C 20 60.354 62.618 -2.264 1
1 186 . 4 1 1 A 20 20 SER N N 20 111.215 113.767 -2.552 1
1 187 . 4 1 1 A 21 21 ARG H H 21 7.290 8.743 -1.452 1
1 188 . 4 1 1 A 21 21 ARG HA H 21 3.860 4.169 -0.309 1
1 195 . 4 1 1 A 21 21 ARG CA C 21 55.197 57.831 -2.634 1
1 196 . 4 1 1 A 21 21 ARG CB C 21 28.021 28.936 -0.915 1
1 199 . 4 1 1 A 21 21 ARG N N 21 119.898 121.630 -1.732 1
1 200 . 4 1 1 A 22 22 ILE H H 22 7.695 7.171 0.524 1
1 201 . 4 1 1 A 22 22 ILE HA H 22 3.900 4.087 -0.187 1
1 211 . 4 1 1 A 22 22 ILE CA C 22 59.337 62.787 -3.450 1
1 212 . 4 1 1 A 22 22 ILE CB C 22 36.562 38.528 -1.966 1
1 216 . 4 1 1 A 22 22 ILE N N 22 116.745 119.217 -2.472 1
1 217 . 4 1 1 A 23 23 VAL H H 23 7.969 7.839 0.130 1
1 218 . 4 1 1 A 23 23 VAL HA H 23 3.887 4.119 -0.232 1
1 226 . 4 1 1 A 23 23 VAL CA C 23 60.956 63.469 -2.513 1
1 227 . 4 1 1 A 23 23 VAL CB C 23 28.307 31.697 -3.390 1
1 230 . 4 1 1 A 23 23 VAL N N 23 122.152 120.142 2.010 1
1 231 . 4 1 1 A 24 24 LYS H H 24 9.007 8.685 0.322 1
1 232 . 4 1 1 A 24 24 LYS HA H 24 4.285 4.528 -0.243 1
1 239 . 4 1 1 A 24 24 LYS CA C 24 52.838 57.268 -4.430 1
1 240 . 4 1 1 A 24 24 LYS CB C 24 30.937 33.681 -2.744 1
1 244 . 4 1 1 A 24 24 LYS N N 24 127.138 126.680 0.458 1
1 245 . 4 1 1 A 25 25 ASN H H 25 7.936 7.920 0.016 1
1 246 . 4 1 1 A 25 25 ASN HA H 25 4.727 4.544 0.183 1
1 251 . 4 1 1 A 25 25 ASN CA C 25 49.688 52.050 -2.362 1
1 252 . 4 1 1 A 25 25 ASN CB C 25 38.574 37.262 1.312 1
1 253 . 4 1 1 A 25 25 ASN N N 25 116.900 113.414 3.486 1
1 255 . 4 1 1 A 26 26 HIS H H 26 8.035 8.138 -0.103 1
1 256 . 4 1 1 A 26 26 HIS HA H 26 4.096 4.264 -0.168 1
1 262 . 4 1 1 A 26 26 HIS CA C 26 54.755 57.346 -2.591 1
1 263 . 4 1 1 A 26 26 HIS CB C 26 27.832 27.543 0.289 1
1 266 . 4 1 1 A 26 26 HIS N N 26 117.740 118.060 -0.320 1
1 267 . 4 1 1 A 27 27 ASN H H 27 7.949 8.005 -0.056 1
1 268 . 4 1 1 A 27 27 ASN HA H 27 4.537 4.855 -0.319 1
1 273 . 4 1 1 A 27 27 ASN CA C 27 50.304 52.875 -2.571 1
1 274 . 4 1 1 A 27 27 ASN CB C 27 35.850 38.577 -2.727 1
1 275 . 4 1 1 A 27 27 ASN N N 27 117.497 117.327 0.170 1
1 277 . 4 1 1 A 28 28 GLU H H 28 7.020 8.053 -1.033 1
1 278 . 4 1 1 A 28 28 GLU HA H 28 4.171 4.545 -0.374 1
1 283 . 4 1 1 A 28 28 GLU CA C 28 54.971 56.352 -1.381 1
1 284 . 4 1 1 A 28 28 GLU CB C 28 28.398 31.382 -2.984 1
1 286 . 4 1 1 A 28 28 GLU N N 28 120.910 119.570 1.340 1
1 287 . 4 1 1 A 29 29 ASN H H 29 8.539 8.824 -0.285 1
1 288 . 4 1 1 A 29 29 ASN HA H 29 5.055 5.447 -0.392 1
1 293 . 4 1 1 A 29 29 ASN CA C 29 49.375 51.937 -2.562 1
1 294 . 4 1 1 A 29 29 ASN CB C 29 38.824 40.797 -1.973 1
1 295 . 4 1 1 A 29 29 ASN N N 29 118.857 117.441 1.416 1
1 297 . 4 1 1 A 30 30 TRP H H 30 9.219 9.063 0.155 1
1 298 . 4 1 1 A 30 30 TRP HA H 30 3.637 3.023 0.614 1
1 307 . 4 1 1 A 30 30 TRP CA C 30 55.988 61.234 -5.246 1
1 308 . 4 1 1 A 30 30 TRP CB C 30 27.757 29.741 -1.984 1
1 314 . 4 1 1 A 30 30 TRP N N 30 122.308 126.695 -4.387 1
1 316 . 4 1 1 A 31 31 LEU H H 31 8.329 8.421 -0.092 1
1 317 . 4 1 1 A 31 31 LEU HA H 31 3.302 3.143 0.159 1
1 327 . 4 1 1 A 31 31 LEU CA C 31 55.874 57.614 -1.740 1
1 328 . 4 1 1 A 31 31 LEU CB C 31 38.372 41.477 -3.105 1
1 332 . 4 1 1 A 31 31 LEU N N 31 120.479 119.907 0.572 1
1 333 . 4 1 1 A 32 32 SER H H 32 7.521 7.960 -0.440 1
1 334 . 4 1 1 A 32 32 SER HA H 32 3.893 4.085 -0.192 1
1 337 . 4 1 1 A 32 32 SER CA C 32 58.245 61.596 -3.351 1
1 338 . 4 1 1 A 32 32 SER CB C 32 60.316 63.078 -2.762 1
1 339 . 4 1 1 A 32 32 SER N N 32 112.204 113.761 -1.557 1
1 340 . 4 1 1 A 33 33 VAL H H 33 7.873 7.531 0.343 1
1 341 . 4 1 1 A 33 33 VAL HA H 33 3.293 3.503 -0.210 1
1 349 . 4 1 1 A 33 33 VAL CA C 33 63.629 65.725 -2.096 1
1 350 . 4 1 1 A 33 33 VAL CB C 33 29.000 30.971 -1.971 1
1 353 . 4 1 1 A 33 33 VAL N N 33 121.321 122.246 -0.925 1
1 354 . 4 1 1 A 34 34 SER H H 34 8.213 7.696 0.517 1
1 355 . 4 1 1 A 34 34 SER HA H 34 2.777 3.592 -0.815 1
1 358 . 4 1 1 A 34 34 SER CA C 34 59.063 60.752 -1.689 1
1 359 . 4 1 1 A 34 34 SER CB C 34 58.438 62.289 -3.851 1
1 360 . 4 1 1 A 34 34 SER N N 34 116.084 116.178 -0.094 1
1 361 . 4 1 1 A 35 35 ARG H H 35 6.651 7.645 -0.994 1
1 362 . 4 1 1 A 35 35 ARG HA H 35 3.649 3.825 -0.176 1
1 367 . 4 1 1 A 35 35 ARG CA C 35 56.778 59.386 -2.608 1
1 368 . 4 1 1 A 35 35 ARG CB C 35 26.892 29.900 -3.008 1
1 371 . 4 1 1 A 35 35 ARG N N 35 120.706 121.299 -0.593 1
1 372 . 4 1 1 A 36 36 LYS H H 36 7.074 7.722 -0.648 1
1 373 . 4 1 1 A 36 36 LYS HA H 36 3.840 3.828 0.012 1
1 380 . 4 1 1 A 36 36 LYS CA C 36 56.288 59.197 -2.909 1
1 381 . 4 1 1 A 36 36 LYS CB C 36 30.091 32.002 -1.911 1
1 385 . 4 1 1 A 36 36 LYS N N 36 118.246 119.284 -1.038 1
1 386 . 4 1 1 A 37 37 MET H H 37 7.362 9.044 -1.683 1
1 387 . 4 1 1 A 37 37 MET HA H 37 3.958 3.856 0.102 1
1 395 . 4 1 1 A 37 37 MET CA C 37 54.972 58.770 -3.798 1
1 396 . 4 1 1 A 37 37 MET CB C 37 31.521 32.138 -0.617 1
1 398 . 4 1 1 A 37 37 MET N N 37 116.022 118.328 -2.306 1
1 399 . 4 1 1 A 38 38 GLN H H 38 6.836 8.594 -1.758 1
1 400 . 4 1 1 A 38 38 GLN HA H 38 3.455 3.847 -0.392 1
1 406 . 4 1 1 A 38 38 GLN CA C 38 55.938 57.548 -1.610 1
1 407 . 4 1 1 A 38 38 GLN CB C 38 25.312 27.401 -2.089 1
1 409 . 4 1 1 A 38 38 GLN N N 38 116.745 116.855 -0.110 1
1 411 . 4 1 1 A 39 39 ALA H H 39 7.636 7.206 0.429 1
1 412 . 4 1 1 A 39 39 ALA HA H 39 4.210 4.207 0.003 1
1 416 . 4 1 1 A 39 39 ALA CA C 39 50.313 53.544 -3.231 1
1 417 . 4 1 1 A 39 39 ALA CB C 39 16.278 18.663 -2.385 1
1 418 . 4 1 1 A 39 39 ALA N N 39 118.576 122.013 -3.437 1
1 419 . 4 1 1 A 40 40 SER H H 40 8.246 8.187 0.059 1
1 420 . 4 1 1 A 40 40 SER HA H 40 4.681 4.819 -0.138 1
1 423 . 4 1 1 A 40 40 SER CA C 40 55.122 55.830 -0.708 1
1 424 . 4 1 1 A 40 40 SER CB C 40 60.938 64.240 -3.302 1
1 425 . 4 1 1 A 40 40 SER N N 40 119.184 114.178 5.006 1
1 426 . 4 1 1 A 41 41 PRO HA H 41 4.083 4.354 -0.271 1
1 432 . 4 1 1 A 41 41 PRO CA C 41 62.800 65.671 -2.871 1
1 434 . 4 1 1 A 42 42 GLU H H 42 9.832 8.471 1.361 1
1 435 . 4 1 1 A 42 42 GLU HA H 42 3.961 4.237 -0.276 1
1 440 . 4 1 1 A 42 42 GLU CA C 42 57.832 59.383 -1.551 1
1 441 . 4 1 1 A 42 42 GLU CB C 42 27.812 29.392 -1.580 1
1 443 . 4 1 1 A 42 42 GLU N N 42 115.590 117.641 -2.051 1
1 444 . 4 1 1 A 43 43 TYR H H 43 7.138 8.467 -1.329 1
1 445 . 4 1 1 A 43 43 TYR HA H 43 4.192 4.660 -0.468 1
1 452 . 4 1 1 A 43 43 TYR CA C 43 58.438 61.588 -3.150 1
1 453 . 4 1 1 A 43 43 TYR CB C 43 37.812 38.805 -0.993 1
1 456 . 4 1 1 A 43 43 TYR N N 43 118.651 122.062 -3.411 1
1 457 . 4 1 1 A 44 44 GLN H H 44 7.832 8.309 -0.476 1
1 458 . 4 1 1 A 44 44 GLN HA H 44 3.506 3.992 -0.486 1
1 465 . 4 1 1 A 44 44 GLN CA C 44 56.110 58.947 -2.837 1
1 466 . 4 1 1 A 44 44 GLN CB C 44 25.161 28.613 -3.452 1
1 468 . 4 1 1 A 44 44 GLN N N 44 117.515 118.419 -0.904 1
1 470 . 4 1 1 A 45 45 ASP H H 45 8.967 8.775 0.192 1
1 471 . 4 1 1 A 45 45 ASP HA H 45 4.224 4.295 -0.071 1
1 474 . 4 1 1 A 45 45 ASP CA C 45 54.407 57.722 -3.315 1
1 475 . 4 1 1 A 45 45 ASP CB C 45 37.694 40.381 -2.687 1
1 476 . 4 1 1 A 45 45 ASP N N 45 118.351 120.251 -1.900 1
1 477 . 4 1 1 A 46 46 TYR H H 46 6.841 7.737 -0.896 1
1 478 . 4 1 1 A 46 46 TYR HA H 46 3.775 4.147 -0.372 1
1 485 . 4 1 1 A 46 46 TYR CA C 46 60.316 60.952 -0.636 1
1 486 . 4 1 1 A 46 46 TYR CB C 46 36.452 38.502 -2.050 1
1 489 . 4 1 1 A 46 46 TYR N N 46 118.500 122.492 -3.992 1
1 490 . 4 1 1 A 47 47 VAL H H 47 8.125 7.677 0.448 1
1 491 . 4 1 1 A 47 47 VAL HA H 47 2.823 3.445 -0.622 1
1 499 . 4 1 1 A 47 47 VAL CA C 47 63.553 65.441 -1.888 1
1 500 . 4 1 1 A 47 47 VAL CB C 47 27.812 30.891 -3.079 1
1 503 . 4 1 1 A 47 47 VAL N N 47 117.616 119.631 -2.015 1
1 504 . 4 1 1 A 48 48 TYR H H 48 7.857 8.325 -0.467 1
1 505 . 4 1 1 A 48 48 TYR HA H 48 3.869 4.186 -0.317 1
1 512 . 4 1 1 A 48 48 TYR CA C 48 58.622 61.260 -2.638 1
1 513 . 4 1 1 A 48 48 TYR CB C 48 35.775 38.680 -2.905 1
1 516 . 4 1 1 A 48 48 TYR N N 48 121.176 122.026 -0.850 1
1 517 . 4 1 1 A 49 49 LEU H H 49 6.926 8.462 -1.536 1
1 518 . 4 1 1 A 49 49 LEU HA H 49 3.776 3.535 0.240 1
1 528 . 4 1 1 A 49 49 LEU CA C 49 54.688 58.139 -3.451 1
1 529 . 4 1 1 A 49 49 LEU CB C 49 40.938 41.461 -0.523 1
1 533 . 4 1 1 A 49 49 LEU N N 49 116.307 119.842 -3.535 1
1 534 . 4 1 1 A 50 50 GLU H H 50 7.894 7.659 0.235 1
1 535 . 4 1 1 A 50 50 GLU HA H 50 4.212 4.098 0.114 1
1 540 . 4 1 1 A 50 50 GLU CA C 50 53.616 57.395 -3.779 1
1 541 . 4 1 1 A 50 50 GLU CB C 50 28.924 29.363 -0.439 1
1 543 . 4 1 1 A 50 50 GLU N N 50 114.774 116.081 -1.307 1
1 544 . 4 1 1 A 51 51 GLY H H 51 7.768 7.054 0.714 1
1 545 . 4 1 1 A 51 51 GLY HA2 H 51 4.168 4.069 0.099 1
1 546 . 4 1 1 A 51 51 GLY HA3 H 51 3.770 4.075 -0.305 1
1 547 . 4 1 1 A 51 51 GLY CA C 51 42.188 45.442 -3.254 1
1 548 . 4 1 1 A 51 51 GLY N N 51 109.724 103.905 5.819 1
1 549 . 4 1 1 A 52 52 THR H H 52 8.230 9.007 -0.776 1
1 550 . 4 1 1 A 52 52 THR HA H 52 3.687 4.027 -0.340 1
1 555 . 4 1 1 A 52 52 THR CA C 52 62.813 66.416 -3.603 1
1 556 . 4 1 1 A 52 52 THR CB C 52 66.564 68.713 -2.149 1
1 558 . 4 1 1 A 52 52 THR N N 52 111.611 114.681 -3.070 1
1 559 . 4 1 1 A 53 53 GLN H H 53 8.342 7.712 0.630 1
1 560 . 4 1 1 A 53 53 GLN HA H 53 3.784 4.045 -0.261 1
1 566 . 4 1 1 A 53 53 GLN CA C 53 57.117 58.817 -1.700 1
1 567 . 4 1 1 A 53 53 GLN CB C 53 24.521 28.249 -3.728 1
1 569 . 4 1 1 A 53 53 GLN N N 53 122.288 119.880 2.408 1
1 571 . 4 1 1 A 54 54 LYS H H 54 8.236 7.975 0.262 1
1 572 . 4 1 1 A 54 54 LYS HA H 54 3.784 4.047 -0.263 1
1 579 . 4 1 1 A 54 54 LYS CA C 54 57.230 59.143 -1.913 1
1 580 . 4 1 1 A 54 54 LYS CB C 54 28.437 31.964 -3.527 1
1 584 . 4 1 1 A 54 54 LYS N N 54 121.397 119.024 2.373 1
1 585 . 4 1 1 A 55 55 ALA H H 55 7.207 8.227 -1.020 1
1 586 . 4 1 1 A 55 55 ALA HA H 55 3.893 4.015 -0.122 1
1 590 . 4 1 1 A 55 55 ALA CA C 55 49.063 54.928 -5.865 1
1 591 . 4 1 1 A 55 55 ALA CB C 55 16.562 18.167 -1.605 1
1 592 . 4 1 1 A 55 55 ALA N N 55 121.624 122.408 -0.784 1
1 593 . 4 1 1 A 56 56 LYS H H 56 8.199 7.893 0.306 1
1 594 . 4 1 1 A 56 56 LYS HA H 56 2.316 2.418 -0.102 1
1 602 . 4 1 1 A 56 56 LYS CA C 56 56.514 58.680 -2.166 1
1 603 . 4 1 1 A 56 56 LYS CB C 56 29.527 31.354 -1.827 1
1 607 . 4 1 1 A 56 56 LYS N N 56 124.153 117.693 6.460 1
1 608 . 4 1 1 A 57 57 LYS H H 57 7.801 8.337 -0.535 1
1 609 . 4 1 1 A 57 57 LYS HA H 57 3.696 3.942 -0.246 1
1 616 . 4 1 1 A 57 57 LYS CA C 57 57.305 59.552 -2.247 1
1 617 . 4 1 1 A 57 57 LYS CB C 57 29.790 32.225 -2.435 1
1 621 . 4 1 1 A 57 57 LYS N N 57 120.226 118.668 1.558 1
1 622 . 4 1 1 A 58 58 LEU H H 58 7.748 8.094 -0.345 1
1 623 . 4 1 1 A 58 58 LEU HA H 58 4.014 4.043 -0.029 1
1 633 . 4 1 1 A 58 58 LEU CA C 58 55.912 57.708 -1.796 1
1 634 . 4 1 1 A 58 58 LEU CB C 58 39.313 41.701 -2.388 1
1 638 . 4 1 1 A 58 58 LEU N N 58 118.589 120.786 -2.197 1
1 639 . 4 1 1 A 59 59 PHE H H 59 7.587 8.839 -1.252 1
1 640 . 4 1 1 A 59 59 PHE HA H 59 4.181 4.176 0.005 1
1 648 . 4 1 1 A 59 59 PHE CA C 59 59.036 61.396 -2.360 1
1 649 . 4 1 1 A 59 59 PHE CB C 59 36.340 39.009 -2.669 1
1 653 . 4 1 1 A 59 59 PHE N N 59 122.478 119.256 3.222 1
1 654 . 4 1 1 A 60 60 LEU H H 60 8.576 8.995 -0.418 1
1 655 . 4 1 1 A 60 60 LEU HA H 60 3.528 3.680 -0.152 1
1 665 . 4 1 1 A 60 60 LEU CA C 60 55.084 58.128 -3.044 1
1 666 . 4 1 1 A 60 60 LEU CB C 60 38.259 41.590 -3.331 1
1 670 . 4 1 1 A 60 60 LEU N N 60 120.969 119.261 1.708 1
1 671 . 4 1 1 A 61 61 GLN H H 61 7.956 8.254 -0.298 1
1 672 . 4 1 1 A 61 61 GLN HA H 61 3.892 3.915 -0.023 1
1 679 . 4 1 1 A 61 61 GLN CA C 61 56.326 59.106 -2.780 1
1 680 . 4 1 1 A 61 61 GLN CB C 61 25.581 28.191 -2.610 1
1 682 . 4 1 1 A 61 61 GLN N N 61 119.668 116.923 2.745 1
1 684 . 4 1 1 A 62 62 HIS H H 62 7.487 8.225 -0.738 1
1 685 . 4 1 1 A 62 62 HIS HA H 62 4.130 4.255 -0.125 1
1 690 . 4 1 1 A 62 62 HIS CA C 62 57.531 59.684 -2.153 1
1 691 . 4 1 1 A 62 62 HIS CB C 62 28.134 29.754 -1.620 1
1 694 . 4 1 1 A 62 62 HIS N N 62 121.475 119.123 2.352 1
1 695 . 4 1 1 A 63 63 ILE H H 63 7.747 8.532 -0.785 1
1 696 . 4 1 1 A 63 63 ILE HA H 63 3.297 3.406 -0.109 1
1 706 . 4 1 1 A 63 63 ILE CA C 63 60.408 65.489 -5.081 1
1 707 . 4 1 1 A 63 63 ILE CB C 63 33.437 37.881 -4.444 1
1 710 . 4 1 1 A 63 63 ILE N N 63 116.455 119.934 -3.479 1
1 711 . 4 1 1 A 64 64 HIS H H 64 7.703 8.371 -0.668 1
1 712 . 4 1 1 A 64 64 HIS HA H 64 3.983 4.101 -0.118 1
1 718 . 4 1 1 A 64 64 HIS CA C 64 57.832 60.193 -2.361 1
1 719 . 4 1 1 A 64 64 HIS CB C 64 27.382 29.685 -2.303 1
1 722 . 4 1 1 A 64 64 HIS N N 64 118.476 119.260 -0.784 1
1 723 . 4 1 1 A 65 65 ARG H H 65 7.501 8.477 -0.976 1
1 724 . 4 1 1 A 65 65 ARG HA H 65 3.789 3.940 -0.151 1
1 731 . 4 1 1 A 65 65 ARG CA C 65 56.966 59.649 -2.683 1
1 732 . 4 1 1 A 65 65 ARG CB C 65 27.194 29.867 -2.673 1
1 735 . 4 1 1 A 65 65 ARG N N 65 119.155 117.638 1.517 1
1 736 . 4 1 1 A 66 66 LEU H H 66 7.708 8.522 -0.814 1
1 737 . 4 1 1 A 66 66 LEU HA H 66 3.791 3.867 -0.076 1
1 747 . 4 1 1 A 66 66 LEU CA C 66 54.143 57.448 -3.305 1
1 748 . 4 1 1 A 66 66 LEU CB C 66 39.688 41.741 -2.053 1
1 752 . 4 1 1 A 66 66 LEU N N 66 118.791 119.984 -1.193 1
1 753 . 4 1 1 A 67 67 LYS H H 67 7.573 7.713 -0.140 1
1 754 . 4 1 1 A 67 67 LYS HA H 67 3.358 4.177 -0.819 1
1 761 . 4 1 1 A 67 67 LYS CA C 67 55.255 58.656 -3.401 1
1 762 . 4 1 1 A 67 67 LYS CB C 67 30.352 32.335 -1.983 1
1 766 . 4 1 1 A 67 67 LYS N N 67 118.232 117.226 1.006 1
1 767 . 4 1 1 A 68 68 HIS H H 68 7.398 8.206 -0.808 1
1 768 . 4 1 1 A 68 68 HIS HA H 68 4.287 4.789 -0.502 1
1 774 . 4 1 1 A 68 68 HIS CA C 68 53.438 54.479 -1.041 1
1 775 . 4 1 1 A 68 68 HIS CB C 68 27.156 30.589 -3.433 1
1 778 . 4 1 1 A 68 68 HIS N N 68 116.826 113.966 2.860 1
1 17 . 5 1 1 A 6 6 GLN H H 6 8.338 8.268 0.070 1
1 18 . 5 1 1 A 6 6 GLN HA H 6 4.087 4.022 0.064 1
1 23 . 5 1 1 A 6 6 GLN CA C 6 54.294 58.776 -4.482 1
1 24 . 5 1 1 A 6 6 GLN CB C 6 25.937 27.804 -1.867 1
1 26 . 5 1 1 A 7 7 GLN H H 7 8.102 8.138 -0.036 1
1 27 . 5 1 1 A 7 7 GLN HA H 7 4.022 4.479 -0.457 1
1 33 . 5 1 1 A 7 7 GLN CA C 7 54.971 58.821 -3.850 1
1 34 . 5 1 1 A 7 7 GLN CB C 7 26.139 28.207 -2.068 1
1 36 . 5 1 1 A 7 7 GLN N N 7 121.077 119.115 1.962 1
1 38 . 5 1 1 A 8 8 ILE H H 8 7.931 7.724 0.207 1
1 39 . 5 1 1 A 8 8 ILE HA H 8 3.707 3.924 -0.217 1
1 49 . 5 1 1 A 8 8 ILE CA C 8 60.313 65.067 -4.754 1
1 50 . 5 1 1 A 8 8 ILE CB C 8 35.549 37.696 -2.147 1
1 54 . 5 1 1 A 8 8 ILE N N 8 121.658 119.203 2.455 1
1 55 . 5 1 1 A 9 9 ALA H H 9 8.066 7.660 0.406 1
1 56 . 5 1 1 A 9 9 ALA HA H 9 4.154 4.472 -0.318 1
1 60 . 5 1 1 A 9 9 ALA CA C 9 51.535 53.665 -2.130 1
1 61 . 5 1 1 A 9 9 ALA CB C 9 16.982 20.080 -3.099 1
1 62 . 5 1 1 A 9 9 ALA N N 9 125.451 123.136 2.315 1
1 63 . 5 1 1 A 10 10 THR H H 10 8.341 8.306 0.035 1
1 64 . 5 1 1 A 10 10 THR HA H 10 4.080 4.156 -0.076 1
1 69 . 5 1 1 A 10 10 THR CA C 10 60.938 65.034 -4.096 1
1 70 . 5 1 1 A 10 10 THR CB C 10 67.814 68.568 -0.754 1
1 72 . 5 1 1 A 10 10 THR N N 10 113.598 110.814 2.784 1
1 73 . 5 1 1 A 11 11 ALA H H 11 8.169 8.661 -0.492 1
1 74 . 5 1 1 A 11 11 ALA HA H 11 3.978 4.044 -0.065 1
1 78 . 5 1 1 A 11 11 ALA CA C 11 52.638 55.537 -2.899 1
1 79 . 5 1 1 A 11 11 ALA CB C 11 15.450 18.373 -2.923 1
1 80 . 5 1 1 A 12 12 LYS H H 12 8.742 7.969 0.772 1
1 81 . 5 1 1 A 12 12 LYS HA H 12 3.433 3.273 0.160 1
1 89 . 5 1 1 A 12 12 LYS CA C 12 57.832 59.446 -1.614 1
1 90 . 5 1 1 A 12 12 LYS CB C 12 29.978 32.080 -2.102 1
1 93 . 5 1 1 A 12 12 LYS N N 12 121.423 118.529 2.894 1
1 94 . 5 1 1 A 13 13 ASP H H 13 7.689 8.637 -0.949 1
1 95 . 5 1 1 A 13 13 ASP HA H 13 4.026 4.284 -0.258 1
1 98 . 5 1 1 A 13 13 ASP CA C 13 54.896 57.407 -2.511 1
1 99 . 5 1 1 A 13 13 ASP CB C 13 37.904 41.677 -3.773 1
1 100 . 5 1 1 A 13 13 ASP N N 13 119.535 119.220 0.315 1
1 101 . 5 1 1 A 14 14 LYS H H 14 7.806 8.333 -0.527 1
1 102 . 5 1 1 A 14 14 LYS HA H 14 3.803 4.238 -0.435 1
1 105 . 5 1 1 A 14 14 LYS CA C 14 56.563 58.916 -2.353 1
1 106 . 5 1 1 A 14 14 LYS N N 14 117.395 119.886 -2.491 1
1 107 . 5 1 1 A 15 15 TYR H H 15 7.867 8.617 -0.750 1
1 108 . 5 1 1 A 15 15 TYR HA H 15 4.038 4.194 -0.155 1
1 115 . 5 1 1 A 15 15 TYR CA C 15 58.284 61.718 -3.434 1
1 116 . 5 1 1 A 15 15 TYR CB C 15 35.361 38.594 -3.233 1
1 119 . 5 1 1 A 15 15 TYR N N 15 120.763 121.053 -0.290 1
1 120 . 5 1 1 A 16 16 GLU H H 16 8.575 8.872 -0.297 1
1 121 . 5 1 1 A 16 16 GLU HA H 16 3.178 3.887 -0.710 1
1 126 . 5 1 1 A 16 16 GLU CA C 16 58.622 59.074 -0.452 1
1 127 . 5 1 1 A 16 16 GLU CB C 16 26.562 29.049 -2.487 1
1 129 . 5 1 1 A 16 16 GLU N N 16 119.244 117.103 2.141 1
1 130 . 5 1 1 A 17 17 TRP H H 17 8.082 7.809 0.273 1
1 131 . 5 1 1 A 17 17 TRP HA H 17 4.124 4.725 -0.601 1
1 140 . 5 1 1 A 17 17 TRP CA C 17 57.229 61.130 -3.901 1
1 141 . 5 1 1 A 17 17 TRP CB C 17 25.612 29.782 -4.170 1
1 147 . 5 1 1 A 17 17 TRP N N 17 120.589 122.992 -2.403 1
1 149 . 5 1 1 A 18 18 LEU H H 18 7.619 8.803 -1.185 1
1 150 . 5 1 1 A 18 18 LEU HA H 18 3.553 2.941 0.612 1
1 160 . 5 1 1 A 18 18 LEU CA C 18 55.837 57.737 -1.900 1
1 161 . 5 1 1 A 18 18 LEU CB C 18 38.786 41.543 -2.757 1
1 165 . 5 1 1 A 18 18 LEU N N 18 122.925 119.834 3.091 1
1 166 . 5 1 1 A 19 19 VAL H H 19 8.069 8.034 0.035 1
1 167 . 5 1 1 A 19 19 VAL HA H 19 3.060 3.394 -0.334 1
1 175 . 5 1 1 A 19 19 VAL CA C 19 64.268 66.747 -2.479 1
1 176 . 5 1 1 A 19 19 VAL CB C 19 28.849 31.241 -2.392 1
1 179 . 5 1 1 A 19 19 VAL N N 19 118.738 117.916 0.822 1
1 180 . 5 1 1 A 20 20 SER H H 20 7.380 7.589 -0.209 1
1 181 . 5 1 1 A 20 20 SER HA H 20 3.569 4.390 -0.821 1
1 184 . 5 1 1 A 20 20 SER CA C 20 59.063 60.797 -1.734 1
1 185 . 5 1 1 A 20 20 SER CB C 20 60.354 62.716 -2.362 1
1 186 . 5 1 1 A 20 20 SER N N 20 111.215 113.744 -2.529 1
1 187 . 5 1 1 A 21 21 ARG H H 21 7.290 8.728 -1.438 1
1 188 . 5 1 1 A 21 21 ARG HA H 21 3.860 4.174 -0.314 1
1 195 . 5 1 1 A 21 21 ARG CA C 21 55.197 57.877 -2.680 1
1 196 . 5 1 1 A 21 21 ARG CB C 21 28.021 28.862 -0.841 1
1 199 . 5 1 1 A 21 21 ARG N N 21 119.898 121.595 -1.697 1
1 200 . 5 1 1 A 22 22 ILE H H 22 7.695 7.145 0.550 1
1 201 . 5 1 1 A 22 22 ILE HA H 22 3.900 4.081 -0.181 1
1 211 . 5 1 1 A 22 22 ILE CA C 22 59.337 62.775 -3.438 1
1 212 . 5 1 1 A 22 22 ILE CB C 22 36.562 38.480 -1.918 1
1 216 . 5 1 1 A 22 22 ILE N N 22 116.745 119.123 -2.378 1
1 217 . 5 1 1 A 23 23 VAL H H 23 7.969 7.831 0.138 1
1 218 . 5 1 1 A 23 23 VAL HA H 23 3.887 4.127 -0.240 1
1 226 . 5 1 1 A 23 23 VAL CA C 23 60.956 63.473 -2.517 1
1 227 . 5 1 1 A 23 23 VAL CB C 23 28.307 31.712 -3.405 1
1 230 . 5 1 1 A 23 23 VAL N N 23 122.152 120.354 1.798 1
1 231 . 5 1 1 A 24 24 LYS H H 24 9.007 9.046 -0.039 1
1 232 . 5 1 1 A 24 24 LYS HA H 24 4.285 4.537 -0.252 1
1 239 . 5 1 1 A 24 24 LYS CA C 24 52.838 57.549 -4.711 1
1 240 . 5 1 1 A 24 24 LYS CB C 24 30.937 34.400 -3.463 1
1 244 . 5 1 1 A 24 24 LYS N N 24 127.138 129.071 -1.933 1
1 245 . 5 1 1 A 25 25 ASN H H 25 7.936 8.008 -0.072 1
1 246 . 5 1 1 A 25 25 ASN HA H 25 4.727 4.546 0.181 1
1 251 . 5 1 1 A 25 25 ASN CA C 25 49.688 52.070 -2.382 1
1 252 . 5 1 1 A 25 25 ASN CB C 25 38.574 37.335 1.239 1
1 253 . 5 1 1 A 25 25 ASN N N 25 116.900 113.996 2.904 1
1 255 . 5 1 1 A 26 26 HIS H H 26 8.035 8.178 -0.143 1
1 256 . 5 1 1 A 26 26 HIS HA H 26 4.096 4.401 -0.305 1
1 262 . 5 1 1 A 26 26 HIS CA C 26 54.755 57.475 -2.720 1
1 263 . 5 1 1 A 26 26 HIS CB C 26 27.832 27.616 0.216 1
1 266 . 5 1 1 A 26 26 HIS N N 26 117.740 117.968 -0.228 1
1 267 . 5 1 1 A 27 27 ASN H H 27 7.949 7.711 0.238 1
1 268 . 5 1 1 A 27 27 ASN HA H 27 4.537 4.922 -0.386 1
1 273 . 5 1 1 A 27 27 ASN CA C 27 50.304 53.090 -2.786 1
1 274 . 5 1 1 A 27 27 ASN CB C 27 35.850 38.542 -2.692 1
1 275 . 5 1 1 A 27 27 ASN N N 27 117.497 117.221 0.276 1
1 277 . 5 1 1 A 28 28 GLU H H 28 7.020 7.997 -0.977 1
1 278 . 5 1 1 A 28 28 GLU HA H 28 4.171 4.597 -0.426 1
1 283 . 5 1 1 A 28 28 GLU CA C 28 54.971 55.858 -0.887 1
1 284 . 5 1 1 A 28 28 GLU CB C 28 28.398 30.966 -2.568 1
1 286 . 5 1 1 A 28 28 GLU N N 28 120.910 119.301 1.609 1
1 287 . 5 1 1 A 29 29 ASN H H 29 8.539 8.709 -0.170 1
1 288 . 5 1 1 A 29 29 ASN HA H 29 5.055 5.540 -0.485 1
1 293 . 5 1 1 A 29 29 ASN CA C 29 49.375 51.924 -2.549 1
1 294 . 5 1 1 A 29 29 ASN CB C 29 38.824 40.694 -1.870 1
1 295 . 5 1 1 A 29 29 ASN N N 29 118.857 117.852 1.005 1
1 297 . 5 1 1 A 30 30 TRP H H 30 9.219 9.140 0.079 1
1 298 . 5 1 1 A 30 30 TRP HA H 30 3.637 3.176 0.461 1
1 307 . 5 1 1 A 30 30 TRP CA C 30 55.988 61.122 -5.134 1
1 308 . 5 1 1 A 30 30 TRP CB C 30 27.757 30.229 -2.472 1
1 314 . 5 1 1 A 30 30 TRP N N 30 122.308 126.178 -3.870 1
1 316 . 5 1 1 A 31 31 LEU H H 31 8.329 8.531 -0.203 1
1 317 . 5 1 1 A 31 31 LEU HA H 31 3.302 3.304 -0.002 1
1 327 . 5 1 1 A 31 31 LEU CA C 31 55.874 57.404 -1.530 1
1 328 . 5 1 1 A 31 31 LEU CB C 31 38.372 41.409 -3.037 1
1 332 . 5 1 1 A 31 31 LEU N N 31 120.479 119.717 0.762 1
1 333 . 5 1 1 A 32 32 SER H H 32 7.521 7.888 -0.367 1
1 334 . 5 1 1 A 32 32 SER HA H 32 3.893 4.089 -0.196 1
1 337 . 5 1 1 A 32 32 SER CA C 32 58.245 61.595 -3.350 1
1 338 . 5 1 1 A 32 32 SER CB C 32 60.316 63.126 -2.810 1
1 339 . 5 1 1 A 32 32 SER N N 32 112.204 113.972 -1.768 1
1 340 . 5 1 1 A 33 33 VAL H H 33 7.873 7.661 0.212 1
1 341 . 5 1 1 A 33 33 VAL HA H 33 3.293 3.799 -0.506 1
1 349 . 5 1 1 A 33 33 VAL CA C 33 63.629 64.814 -1.185 1
1 350 . 5 1 1 A 33 33 VAL CB C 33 29.000 31.134 -2.134 1
1 353 . 5 1 1 A 33 33 VAL N N 33 121.321 118.679 2.642 1
1 354 . 5 1 1 A 34 34 SER H H 34 8.213 8.017 0.197 1
1 355 . 5 1 1 A 34 34 SER HA H 34 2.777 3.632 -0.855 1
1 358 . 5 1 1 A 34 34 SER CA C 34 59.063 60.740 -1.677 1
1 359 . 5 1 1 A 34 34 SER CB C 34 58.438 62.073 -3.635 1
1 360 . 5 1 1 A 34 34 SER N N 34 116.084 117.061 -0.977 1
1 361 . 5 1 1 A 35 35 ARG H H 35 6.651 8.020 -1.369 1
1 362 . 5 1 1 A 35 35 ARG HA H 35 3.649 3.795 -0.146 1
1 367 . 5 1 1 A 35 35 ARG CA C 35 56.778 59.393 -2.615 1
1 368 . 5 1 1 A 35 35 ARG CB C 35 26.892 29.749 -2.857 1
1 371 . 5 1 1 A 35 35 ARG N N 35 120.706 120.754 -0.048 1
1 372 . 5 1 1 A 36 36 LYS H H 36 7.074 8.079 -1.004 1
1 373 . 5 1 1 A 36 36 LYS HA H 36 3.840 3.901 -0.061 1
1 380 . 5 1 1 A 36 36 LYS CA C 36 56.288 59.106 -2.818 1
1 381 . 5 1 1 A 36 36 LYS CB C 36 30.091 32.117 -2.026 1
1 385 . 5 1 1 A 36 36 LYS N N 36 118.246 117.862 0.384 1
1 386 . 5 1 1 A 37 37 MET H H 37 7.362 8.687 -1.325 1
1 387 . 5 1 1 A 37 37 MET HA H 37 3.958 3.944 0.014 1
1 395 . 5 1 1 A 37 37 MET CA C 37 54.972 58.500 -3.528 1
1 396 . 5 1 1 A 37 37 MET CB C 37 31.521 31.370 0.151 1
1 398 . 5 1 1 A 37 37 MET N N 37 116.022 118.207 -2.185 1
1 399 . 5 1 1 A 38 38 GLN H H 38 6.836 8.291 -1.455 1
1 400 . 5 1 1 A 38 38 GLN HA H 38 3.455 3.610 -0.155 1
1 406 . 5 1 1 A 38 38 GLN CA C 38 55.938 57.690 -1.752 1
1 407 . 5 1 1 A 38 38 GLN CB C 38 25.312 27.888 -2.576 1
1 409 . 5 1 1 A 38 38 GLN N N 38 116.745 116.832 -0.087 1
1 411 . 5 1 1 A 39 39 ALA H H 39 7.636 7.343 0.292 1
1 412 . 5 1 1 A 39 39 ALA HA H 39 4.210 4.219 -0.009 1
1 416 . 5 1 1 A 39 39 ALA CA C 39 50.313 52.584 -2.271 1
1 417 . 5 1 1 A 39 39 ALA CB C 39 16.278 18.409 -2.131 1
1 418 . 5 1 1 A 39 39 ALA N N 39 118.576 121.068 -2.492 1
1 419 . 5 1 1 A 40 40 SER H H 40 8.246 7.488 0.758 1
1 420 . 5 1 1 A 40 40 SER HA H 40 4.681 4.932 -0.251 1
1 423 . 5 1 1 A 40 40 SER CA C 40 55.122 55.242 -0.120 1
1 424 . 5 1 1 A 40 40 SER CB C 40 60.938 65.130 -4.192 1
1 425 . 5 1 1 A 40 40 SER N N 40 119.184 114.105 5.079 1
1 426 . 5 1 1 A 41 41 PRO HA H 41 4.083 4.370 -0.287 1
1 432 . 5 1 1 A 41 41 PRO CA C 41 62.800 65.671 -2.871 1
1 434 . 5 1 1 A 42 42 GLU H H 42 9.832 8.492 1.339 1
1 435 . 5 1 1 A 42 42 GLU HA H 42 3.961 4.242 -0.281 1
1 440 . 5 1 1 A 42 42 GLU CA C 42 57.832 59.330 -1.498 1
1 441 . 5 1 1 A 42 42 GLU CB C 42 27.812 29.443 -1.631 1
1 443 . 5 1 1 A 42 42 GLU N N 42 115.590 117.867 -2.277 1
1 444 . 5 1 1 A 43 43 TYR H H 43 7.138 8.400 -1.262 1
1 445 . 5 1 1 A 43 43 TYR HA H 43 4.192 4.627 -0.435 1
1 452 . 5 1 1 A 43 43 TYR CA C 43 58.438 61.734 -3.296 1
1 453 . 5 1 1 A 43 43 TYR CB C 43 37.812 38.813 -1.001 1
1 456 . 5 1 1 A 43 43 TYR N N 43 118.651 121.877 -3.226 1
1 457 . 5 1 1 A 44 44 GLN H H 44 7.832 8.296 -0.464 1
1 458 . 5 1 1 A 44 44 GLN HA H 44 3.506 3.907 -0.401 1
1 465 . 5 1 1 A 44 44 GLN CA C 44 56.110 58.986 -2.876 1
1 466 . 5 1 1 A 44 44 GLN CB C 44 25.161 28.611 -3.450 1
1 468 . 5 1 1 A 44 44 GLN N N 44 117.515 118.652 -1.137 1
1 470 . 5 1 1 A 45 45 ASP H H 45 8.967 8.376 0.592 1
1 471 . 5 1 1 A 45 45 ASP HA H 45 4.224 4.303 -0.079 1
1 474 . 5 1 1 A 45 45 ASP CA C 45 54.407 57.246 -2.839 1
1 475 . 5 1 1 A 45 45 ASP CB C 45 37.694 41.846 -4.152 1
1 476 . 5 1 1 A 45 45 ASP N N 45 118.351 120.180 -1.829 1
1 477 . 5 1 1 A 46 46 TYR H H 46 6.841 7.814 -0.973 1
1 478 . 5 1 1 A 46 46 TYR HA H 46 3.775 4.135 -0.360 1
1 485 . 5 1 1 A 46 46 TYR CA C 46 60.316 61.256 -0.940 1
1 486 . 5 1 1 A 46 46 TYR CB C 46 36.452 38.554 -2.102 1
1 489 . 5 1 1 A 46 46 TYR N N 46 118.500 120.582 -2.082 1
1 490 . 5 1 1 A 47 47 VAL H H 47 8.125 7.881 0.244 1
1 491 . 5 1 1 A 47 47 VAL HA H 47 2.823 3.205 -0.382 1
1 499 . 5 1 1 A 47 47 VAL CA C 47 63.553 65.572 -2.019 1
1 500 . 5 1 1 A 47 47 VAL CB C 47 27.812 30.700 -2.888 1
1 503 . 5 1 1 A 47 47 VAL N N 47 117.616 119.433 -1.817 1
1 504 . 5 1 1 A 48 48 TYR H H 48 7.857 8.376 -0.518 1
1 505 . 5 1 1 A 48 48 TYR HA H 48 3.869 4.132 -0.263 1
1 512 . 5 1 1 A 48 48 TYR CA C 48 58.622 61.218 -2.596 1
1 513 . 5 1 1 A 48 48 TYR CB C 48 35.775 38.547 -2.772 1
1 516 . 5 1 1 A 48 48 TYR N N 48 121.176 121.761 -0.585 1
1 517 . 5 1 1 A 49 49 LEU H H 49 6.926 8.510 -1.584 1
1 518 . 5 1 1 A 49 49 LEU HA H 49 3.776 3.564 0.211 1
1 528 . 5 1 1 A 49 49 LEU CA C 49 54.688 57.972 -3.284 1
1 529 . 5 1 1 A 49 49 LEU CB C 49 40.938 41.690 -0.752 1
1 533 . 5 1 1 A 49 49 LEU N N 49 116.307 120.061 -3.754 1
1 534 . 5 1 1 A 50 50 GLU H H 50 7.894 7.547 0.347 1
1 535 . 5 1 1 A 50 50 GLU HA H 50 4.212 4.058 0.154 1
1 540 . 5 1 1 A 50 50 GLU CA C 50 53.616 57.666 -4.050 1
1 541 . 5 1 1 A 50 50 GLU CB C 50 28.924 30.697 -1.773 1
1 543 . 5 1 1 A 50 50 GLU N N 50 114.774 117.379 -2.605 1
1 544 . 5 1 1 A 51 51 GLY H H 51 7.768 6.977 0.791 1
1 545 . 5 1 1 A 51 51 GLY HA2 H 51 4.168 3.946 0.222 1
1 546 . 5 1 1 A 51 51 GLY HA3 H 51 3.770 3.956 -0.186 1
1 547 . 5 1 1 A 51 51 GLY CA C 51 42.188 44.292 -2.104 1
1 548 . 5 1 1 A 51 51 GLY N N 51 109.724 106.146 3.578 1
1 549 . 5 1 1 A 52 52 THR H H 52 8.230 8.580 -0.350 1
1 550 . 5 1 1 A 52 52 THR HA H 52 3.687 4.192 -0.505 1
1 555 . 5 1 1 A 52 52 THR CA C 52 62.813 64.645 -1.832 1
1 556 . 5 1 1 A 52 52 THR CB C 52 66.564 69.408 -2.844 1
1 558 . 5 1 1 A 52 52 THR N N 52 111.611 113.411 -1.800 1
1 559 . 5 1 1 A 53 53 GLN H H 53 8.342 7.684 0.658 1
1 560 . 5 1 1 A 53 53 GLN HA H 53 3.784 4.057 -0.273 1
1 566 . 5 1 1 A 53 53 GLN CA C 53 57.117 58.591 -1.474 1
1 567 . 5 1 1 A 53 53 GLN CB C 53 24.521 28.522 -4.001 1
1 569 . 5 1 1 A 53 53 GLN N N 53 122.288 121.876 0.412 1
1 571 . 5 1 1 A 54 54 LYS H H 54 8.236 7.936 0.300 1
1 572 . 5 1 1 A 54 54 LYS HA H 54 3.784 4.066 -0.282 1
1 579 . 5 1 1 A 54 54 LYS CA C 54 57.230 58.894 -1.664 1
1 580 . 5 1 1 A 54 54 LYS CB C 54 28.437 31.998 -3.561 1
1 584 . 5 1 1 A 54 54 LYS N N 54 121.397 118.720 2.677 1
1 585 . 5 1 1 A 55 55 ALA H H 55 7.207 8.083 -0.876 1
1 586 . 5 1 1 A 55 55 ALA HA H 55 3.893 4.237 -0.344 1
1 590 . 5 1 1 A 55 55 ALA CA C 55 49.063 55.077 -6.014 1
1 591 . 5 1 1 A 55 55 ALA CB C 55 16.562 18.154 -1.592 1
1 592 . 5 1 1 A 55 55 ALA N N 55 121.624 122.477 -0.853 1
1 593 . 5 1 1 A 56 56 LYS H H 56 8.199 8.126 0.073 1
1 594 . 5 1 1 A 56 56 LYS HA H 56 2.316 2.619 -0.303 1
1 602 . 5 1 1 A 56 56 LYS CA C 56 56.514 58.872 -2.358 1
1 603 . 5 1 1 A 56 56 LYS CB C 56 29.527 31.620 -2.093 1
1 607 . 5 1 1 A 56 56 LYS N N 56 124.153 117.798 6.355 1
1 608 . 5 1 1 A 57 57 LYS H H 57 7.801 8.333 -0.531 1
1 609 . 5 1 1 A 57 57 LYS HA H 57 3.696 3.980 -0.284 1
1 616 . 5 1 1 A 57 57 LYS CA C 57 57.305 58.889 -1.584 1
1 617 . 5 1 1 A 57 57 LYS CB C 57 29.790 32.685 -2.895 1
1 621 . 5 1 1 A 57 57 LYS N N 57 120.226 118.066 2.160 1
1 622 . 5 1 1 A 58 58 LEU H H 58 7.748 8.277 -0.528 1
1 623 . 5 1 1 A 58 58 LEU HA H 58 4.014 4.061 -0.047 1
1 633 . 5 1 1 A 58 58 LEU CA C 58 55.912 57.958 -2.046 1
1 634 . 5 1 1 A 58 58 LEU CB C 58 39.313 42.205 -2.892 1
1 638 . 5 1 1 A 58 58 LEU N N 58 118.589 120.805 -2.216 1
1 639 . 5 1 1 A 59 59 PHE H H 59 7.587 8.815 -1.228 1
1 640 . 5 1 1 A 59 59 PHE HA H 59 4.181 4.190 -0.009 1
1 648 . 5 1 1 A 59 59 PHE CA C 59 59.036 61.257 -2.221 1
1 649 . 5 1 1 A 59 59 PHE CB C 59 36.340 39.009 -2.669 1
1 653 . 5 1 1 A 59 59 PHE N N 59 122.478 118.982 3.496 1
1 654 . 5 1 1 A 60 60 LEU H H 60 8.576 8.943 -0.366 1
1 655 . 5 1 1 A 60 60 LEU HA H 60 3.528 3.599 -0.071 1
1 665 . 5 1 1 A 60 60 LEU CA C 60 55.084 58.126 -3.042 1
1 666 . 5 1 1 A 60 60 LEU CB C 60 38.259 41.698 -3.439 1
1 670 . 5 1 1 A 60 60 LEU N N 60 120.969 119.368 1.601 1
1 671 . 5 1 1 A 61 61 GLN H H 61 7.956 8.350 -0.394 1
1 672 . 5 1 1 A 61 61 GLN HA H 61 3.892 3.882 0.010 1
1 679 . 5 1 1 A 61 61 GLN CA C 61 56.326 59.036 -2.710 1
1 680 . 5 1 1 A 61 61 GLN CB C 61 25.581 28.352 -2.771 1
1 682 . 5 1 1 A 61 61 GLN N N 61 119.668 116.670 2.998 1
1 684 . 5 1 1 A 62 62 HIS H H 62 7.487 8.293 -0.806 1
1 685 . 5 1 1 A 62 62 HIS HA H 62 4.130 4.181 -0.051 1
1 690 . 5 1 1 A 62 62 HIS CA C 62 57.531 59.956 -2.425 1
1 691 . 5 1 1 A 62 62 HIS CB C 62 28.134 29.673 -1.539 1
1 694 . 5 1 1 A 62 62 HIS N N 62 121.475 119.474 2.001 1
1 695 . 5 1 1 A 63 63 ILE H H 63 7.747 8.615 -0.869 1
1 696 . 5 1 1 A 63 63 ILE HA H 63 3.297 3.419 -0.122 1
1 706 . 5 1 1 A 63 63 ILE CA C 63 60.408 65.445 -5.037 1
1 707 . 5 1 1 A 63 63 ILE CB C 63 33.437 37.894 -4.457 1
1 710 . 5 1 1 A 63 63 ILE N N 63 116.455 120.242 -3.787 1
1 711 . 5 1 1 A 64 64 HIS H H 64 7.703 8.322 -0.619 1
1 712 . 5 1 1 A 64 64 HIS HA H 64 3.983 4.060 -0.077 1
1 718 . 5 1 1 A 64 64 HIS CA C 64 57.832 60.072 -2.240 1
1 719 . 5 1 1 A 64 64 HIS CB C 64 27.382 29.770 -2.388 1
1 722 . 5 1 1 A 64 64 HIS N N 64 118.476 119.219 -0.743 1
1 723 . 5 1 1 A 65 65 ARG H H 65 7.501 8.502 -1.001 1
1 724 . 5 1 1 A 65 65 ARG HA H 65 3.789 3.991 -0.202 1
1 731 . 5 1 1 A 65 65 ARG CA C 65 56.966 59.860 -2.894 1
1 732 . 5 1 1 A 65 65 ARG CB C 65 27.194 29.911 -2.717 1
1 735 . 5 1 1 A 65 65 ARG N N 65 119.155 117.747 1.408 1
1 736 . 5 1 1 A 66 66 LEU H H 66 7.708 8.478 -0.770 1
1 737 . 5 1 1 A 66 66 LEU HA H 66 3.791 3.817 -0.026 1
1 747 . 5 1 1 A 66 66 LEU CA C 66 54.143 57.589 -3.446 1
1 748 . 5 1 1 A 66 66 LEU CB C 66 39.688 41.443 -1.755 1
1 752 . 5 1 1 A 66 66 LEU N N 66 118.791 120.469 -1.678 1
1 753 . 5 1 1 A 67 67 LYS H H 67 7.573 7.382 0.191 1
1 754 . 5 1 1 A 67 67 LYS HA H 67 3.358 4.161 -0.803 1
1 761 . 5 1 1 A 67 67 LYS CA C 67 55.255 58.389 -3.134 1
1 762 . 5 1 1 A 67 67 LYS CB C 67 30.352 32.454 -2.102 1
1 766 . 5 1 1 A 67 67 LYS N N 67 118.232 116.712 1.520 1
1 767 . 5 1 1 A 68 68 HIS H H 68 7.398 8.064 -0.666 1
1 768 . 5 1 1 A 68 68 HIS HA H 68 4.287 4.773 -0.486 1
1 774 . 5 1 1 A 68 68 HIS CA C 68 53.438 54.868 -1.430 1
1 775 . 5 1 1 A 68 68 HIS CB C 68 27.156 31.604 -4.448 1
1 778 . 5 1 1 A 68 68 HIS N N 68 116.826 113.330 3.496 1
1 17 . 6 1 1 A 6 6 GLN H H 6 8.338 8.695 -0.357 1
1 18 . 6 1 1 A 6 6 GLN HA H 6 4.087 4.504 -0.417 1
1 23 . 6 1 1 A 6 6 GLN CA C 6 54.294 55.309 -1.015 1
1 24 . 6 1 1 A 6 6 GLN CB C 6 25.937 26.967 -1.030 1
1 26 . 6 1 1 A 7 7 GLN H H 7 8.102 8.596 -0.494 1
1 27 . 6 1 1 A 7 7 GLN HA H 7 4.022 4.639 -0.617 1
1 33 . 6 1 1 A 7 7 GLN CA C 7 54.971 57.469 -2.498 1
1 34 . 6 1 1 A 7 7 GLN CB C 7 26.139 31.084 -4.945 1
1 36 . 6 1 1 A 7 7 GLN N N 7 121.077 122.067 -0.990 1
1 38 . 6 1 1 A 8 8 ILE H H 8 7.931 8.168 -0.237 1
1 39 . 6 1 1 A 8 8 ILE HA H 8 3.707 3.874 -0.167 1
1 49 . 6 1 1 A 8 8 ILE CA C 8 60.313 65.226 -4.913 1
1 50 . 6 1 1 A 8 8 ILE CB C 8 35.549 37.738 -2.189 1
1 54 . 6 1 1 A 8 8 ILE N N 8 121.658 119.204 2.454 1
1 55 . 6 1 1 A 9 9 ALA H H 9 8.066 7.675 0.392 1
1 56 . 6 1 1 A 9 9 ALA HA H 9 4.154 4.510 -0.356 1
1 60 . 6 1 1 A 9 9 ALA CA C 9 51.535 53.604 -2.068 1
1 61 . 6 1 1 A 9 9 ALA CB C 9 16.982 20.508 -3.526 1
1 62 . 6 1 1 A 9 9 ALA N N 9 125.451 122.430 3.021 1
1 63 . 6 1 1 A 10 10 THR H H 10 8.341 8.382 -0.041 1
1 64 . 6 1 1 A 10 10 THR HA H 10 4.080 4.184 -0.104 1
1 69 . 6 1 1 A 10 10 THR CA C 10 60.938 65.006 -4.068 1
1 70 . 6 1 1 A 10 10 THR CB C 10 67.814 68.180 -0.366 1
1 72 . 6 1 1 A 10 10 THR N N 10 113.598 110.786 2.812 1
1 73 . 6 1 1 A 11 11 ALA H H 11 8.169 7.922 0.247 1
1 74 . 6 1 1 A 11 11 ALA HA H 11 3.978 4.039 -0.060 1
1 78 . 6 1 1 A 11 11 ALA CA C 11 52.638 55.532 -2.894 1
1 79 . 6 1 1 A 11 11 ALA CB C 11 15.450 18.517 -3.067 1
1 80 . 6 1 1 A 12 12 LYS H H 12 8.742 8.015 0.727 1
1 81 . 6 1 1 A 12 12 LYS HA H 12 3.433 3.906 -0.473 1
1 89 . 6 1 1 A 12 12 LYS CA C 12 57.832 59.549 -1.717 1
1 90 . 6 1 1 A 12 12 LYS CB C 12 29.978 32.227 -2.249 1
1 93 . 6 1 1 A 12 12 LYS N N 12 121.423 118.518 2.905 1
1 94 . 6 1 1 A 13 13 ASP H H 13 7.689 8.928 -1.240 1
1 95 . 6 1 1 A 13 13 ASP HA H 13 4.026 4.534 -0.508 1
1 98 . 6 1 1 A 13 13 ASP CA C 13 54.896 57.623 -2.727 1
1 99 . 6 1 1 A 13 13 ASP CB C 13 37.904 41.841 -3.938 1
1 100 . 6 1 1 A 13 13 ASP N N 13 119.535 119.136 0.399 1
1 101 . 6 1 1 A 14 14 LYS H H 14 7.806 8.247 -0.442 1
1 102 . 6 1 1 A 14 14 LYS HA H 14 3.803 4.247 -0.444 1
1 105 . 6 1 1 A 14 14 LYS CA C 14 56.563 58.958 -2.395 1
1 106 . 6 1 1 A 14 14 LYS N N 14 117.395 119.880 -2.485 1
1 107 . 6 1 1 A 15 15 TYR H H 15 7.867 8.013 -0.145 1
1 108 . 6 1 1 A 15 15 TYR HA H 15 4.038 4.136 -0.098 1
1 115 . 6 1 1 A 15 15 TYR CA C 15 58.284 61.648 -3.364 1
1 116 . 6 1 1 A 15 15 TYR CB C 15 35.361 38.529 -3.168 1
1 119 . 6 1 1 A 15 15 TYR N N 15 120.763 121.282 -0.519 1
1 120 . 6 1 1 A 16 16 GLU H H 16 8.575 8.757 -0.182 1
1 121 . 6 1 1 A 16 16 GLU HA H 16 3.178 3.878 -0.701 1
1 126 . 6 1 1 A 16 16 GLU CA C 16 58.622 59.050 -0.428 1
1 127 . 6 1 1 A 16 16 GLU CB C 16 26.562 29.061 -2.499 1
1 129 . 6 1 1 A 16 16 GLU N N 16 119.244 117.235 2.009 1
1 130 . 6 1 1 A 17 17 TRP H H 17 8.082 7.891 0.191 1
1 131 . 6 1 1 A 17 17 TRP HA H 17 4.124 4.743 -0.619 1
1 140 . 6 1 1 A 17 17 TRP CA C 17 57.229 60.930 -3.701 1
1 141 . 6 1 1 A 17 17 TRP CB C 17 25.612 29.672 -4.060 1
1 147 . 6 1 1 A 17 17 TRP N N 17 120.589 123.186 -2.597 1
1 149 . 6 1 1 A 18 18 LEU H H 18 7.619 8.379 -0.760 1
1 150 . 6 1 1 A 18 18 LEU HA H 18 3.553 2.982 0.571 1
1 160 . 6 1 1 A 18 18 LEU CA C 18 55.837 57.731 -1.894 1
1 161 . 6 1 1 A 18 18 LEU CB C 18 38.786 41.387 -2.601 1
1 165 . 6 1 1 A 18 18 LEU N N 18 122.925 120.090 2.835 1
1 166 . 6 1 1 A 19 19 VAL H H 19 8.069 7.851 0.218 1
1 167 . 6 1 1 A 19 19 VAL HA H 19 3.060 3.442 -0.382 1
1 175 . 6 1 1 A 19 19 VAL CA C 19 64.268 66.706 -2.438 1
1 176 . 6 1 1 A 19 19 VAL CB C 19 28.849 31.191 -2.342 1
1 179 . 6 1 1 A 19 19 VAL N N 19 118.738 118.392 0.346 1
1 180 . 6 1 1 A 20 20 SER H H 20 7.380 7.595 -0.215 1
1 181 . 6 1 1 A 20 20 SER HA H 20 3.569 4.421 -0.852 1
1 184 . 6 1 1 A 20 20 SER CA C 20 59.063 60.403 -1.340 1
1 185 . 6 1 1 A 20 20 SER CB C 20 60.354 62.830 -2.476 1
1 186 . 6 1 1 A 20 20 SER N N 20 111.215 113.349 -2.134 1
1 187 . 6 1 1 A 21 21 ARG H H 21 7.290 8.366 -1.075 1
1 188 . 6 1 1 A 21 21 ARG HA H 21 3.860 4.159 -0.299 1
1 195 . 6 1 1 A 21 21 ARG CA C 21 55.197 58.015 -2.818 1
1 196 . 6 1 1 A 21 21 ARG CB C 21 28.021 29.354 -1.333 1
1 199 . 6 1 1 A 21 21 ARG N N 21 119.898 121.961 -2.063 1
1 200 . 6 1 1 A 22 22 ILE H H 22 7.695 7.129 0.566 1
1 201 . 6 1 1 A 22 22 ILE HA H 22 3.900 4.072 -0.172 1
1 211 . 6 1 1 A 22 22 ILE CA C 22 59.337 62.847 -3.510 1
1 212 . 6 1 1 A 22 22 ILE CB C 22 36.562 38.679 -2.117 1
1 216 . 6 1 1 A 22 22 ILE N N 22 116.745 119.208 -2.463 1
1 217 . 6 1 1 A 23 23 VAL H H 23 7.969 7.893 0.076 1
1 218 . 6 1 1 A 23 23 VAL HA H 23 3.887 4.223 -0.336 1
1 226 . 6 1 1 A 23 23 VAL CA C 23 60.956 63.093 -2.137 1
1 227 . 6 1 1 A 23 23 VAL CB C 23 28.307 31.811 -3.504 1
1 230 . 6 1 1 A 23 23 VAL N N 23 122.152 120.366 1.786 1
1 231 . 6 1 1 A 24 24 LYS H H 24 9.007 9.078 -0.071 1
1 232 . 6 1 1 A 24 24 LYS HA H 24 4.285 4.538 -0.253 1
1 239 . 6 1 1 A 24 24 LYS CA C 24 52.838 57.514 -4.676 1
1 240 . 6 1 1 A 24 24 LYS CB C 24 30.937 34.527 -3.590 1
1 244 . 6 1 1 A 24 24 LYS N N 24 127.138 129.210 -2.072 1
1 245 . 6 1 1 A 25 25 ASN H H 25 7.936 7.874 0.062 1
1 246 . 6 1 1 A 25 25 ASN HA H 25 4.727 4.566 0.161 1
1 251 . 6 1 1 A 25 25 ASN CA C 25 49.688 51.999 -2.311 1
1 252 . 6 1 1 A 25 25 ASN CB C 25 38.574 37.187 1.387 1
1 253 . 6 1 1 A 25 25 ASN N N 25 116.900 113.675 3.225 1
1 255 . 6 1 1 A 26 26 HIS H H 26 8.035 8.181 -0.146 1
1 256 . 6 1 1 A 26 26 HIS HA H 26 4.096 4.297 -0.201 1
1 262 . 6 1 1 A 26 26 HIS CA C 26 54.755 57.389 -2.635 1
1 263 . 6 1 1 A 26 26 HIS CB C 26 27.832 27.569 0.264 1
1 266 . 6 1 1 A 26 26 HIS N N 26 117.740 117.575 0.165 1
1 267 . 6 1 1 A 27 27 ASN H H 27 7.949 7.965 -0.016 1
1 268 . 6 1 1 A 27 27 ASN HA H 27 4.537 4.847 -0.310 1
1 273 . 6 1 1 A 27 27 ASN CA C 27 50.304 52.844 -2.540 1
1 274 . 6 1 1 A 27 27 ASN CB C 27 35.850 38.821 -2.971 1
1 275 . 6 1 1 A 27 27 ASN N N 27 117.497 117.369 0.128 1
1 277 . 6 1 1 A 28 28 GLU H H 28 7.020 7.924 -0.904 1
1 278 . 6 1 1 A 28 28 GLU HA H 28 4.171 4.698 -0.527 1
1 283 . 6 1 1 A 28 28 GLU CA C 28 54.971 55.500 -0.529 1
1 284 . 6 1 1 A 28 28 GLU CB C 28 28.398 31.455 -3.057 1
1 286 . 6 1 1 A 28 28 GLU N N 28 120.910 118.252 2.658 1
1 287 . 6 1 1 A 29 29 ASN H H 29 8.539 8.454 0.085 1
1 288 . 6 1 1 A 29 29 ASN HA H 29 5.055 5.235 -0.180 1
1 293 . 6 1 1 A 29 29 ASN CA C 29 49.375 51.801 -2.426 1
1 294 . 6 1 1 A 29 29 ASN CB C 29 38.824 40.284 -1.460 1
1 295 . 6 1 1 A 29 29 ASN N N 29 118.857 119.313 -0.456 1
1 297 . 6 1 1 A 30 30 TRP H H 30 9.219 9.056 0.163 1
1 298 . 6 1 1 A 30 30 TRP HA H 30 3.637 3.236 0.401 1
1 307 . 6 1 1 A 30 30 TRP CA C 30 55.988 61.100 -5.112 1
1 308 . 6 1 1 A 30 30 TRP CB C 30 27.757 30.133 -2.376 1
1 314 . 6 1 1 A 30 30 TRP N N 30 122.308 128.086 -5.778 1
1 316 . 6 1 1 A 31 31 LEU H H 31 8.329 8.052 0.277 1
1 317 . 6 1 1 A 31 31 LEU HA H 31 3.302 3.390 -0.088 1
1 327 . 6 1 1 A 31 31 LEU CA C 31 55.874 57.380 -1.506 1
1 328 . 6 1 1 A 31 31 LEU CB C 31 38.372 41.413 -3.041 1
1 332 . 6 1 1 A 31 31 LEU N N 31 120.479 119.536 0.943 1
1 333 . 6 1 1 A 32 32 SER H H 32 7.521 7.862 -0.342 1
1 334 . 6 1 1 A 32 32 SER HA H 32 3.893 4.075 -0.181 1
1 337 . 6 1 1 A 32 32 SER CA C 32 58.245 62.257 -4.012 1
1 338 . 6 1 1 A 32 32 SER CB C 32 60.316 62.871 -2.555 1
1 339 . 6 1 1 A 32 32 SER N N 32 112.204 113.930 -1.726 1
1 340 . 6 1 1 A 33 33 VAL H H 33 7.873 8.083 -0.209 1
1 341 . 6 1 1 A 33 33 VAL HA H 33 3.293 3.715 -0.422 1
1 349 . 6 1 1 A 33 33 VAL CA C 33 63.629 64.911 -1.282 1
1 350 . 6 1 1 A 33 33 VAL CB C 33 29.000 31.185 -2.185 1
1 353 . 6 1 1 A 33 33 VAL N N 33 121.321 119.694 1.627 1
1 354 . 6 1 1 A 34 34 SER H H 34 8.213 8.044 0.169 1
1 355 . 6 1 1 A 34 34 SER HA H 34 2.777 3.543 -0.766 1
1 358 . 6 1 1 A 34 34 SER CA C 34 59.063 60.569 -1.506 1
1 359 . 6 1 1 A 34 34 SER CB C 34 58.438 62.429 -3.991 1
1 360 . 6 1 1 A 34 34 SER N N 34 116.084 116.858 -0.774 1
1 361 . 6 1 1 A 35 35 ARG H H 35 6.651 7.620 -0.969 1
1 362 . 6 1 1 A 35 35 ARG HA H 35 3.649 3.811 -0.162 1
1 367 . 6 1 1 A 35 35 ARG CA C 35 56.778 59.359 -2.581 1
1 368 . 6 1 1 A 35 35 ARG CB C 35 26.892 29.931 -3.039 1
1 371 . 6 1 1 A 35 35 ARG N N 35 120.706 121.121 -0.415 1
1 372 . 6 1 1 A 36 36 LYS H H 36 7.074 7.714 -0.640 1
1 373 . 6 1 1 A 36 36 LYS HA H 36 3.840 3.874 -0.034 1
1 380 . 6 1 1 A 36 36 LYS CA C 36 56.288 59.276 -2.988 1
1 381 . 6 1 1 A 36 36 LYS CB C 36 30.091 32.120 -2.029 1
1 385 . 6 1 1 A 36 36 LYS N N 36 118.246 119.665 -1.419 1
1 386 . 6 1 1 A 37 37 MET H H 37 7.362 9.005 -1.643 1
1 387 . 6 1 1 A 37 37 MET HA H 37 3.958 3.905 0.053 1
1 395 . 6 1 1 A 37 37 MET CA C 37 54.972 58.986 -4.014 1
1 396 . 6 1 1 A 37 37 MET CB C 37 31.521 32.034 -0.513 1
1 398 . 6 1 1 A 37 37 MET N N 37 116.022 118.301 -2.279 1
1 399 . 6 1 1 A 38 38 GLN H H 38 6.836 8.278 -1.442 1
1 400 . 6 1 1 A 38 38 GLN HA H 38 3.455 3.752 -0.297 1
1 406 . 6 1 1 A 38 38 GLN CA C 38 55.938 57.714 -1.776 1
1 407 . 6 1 1 A 38 38 GLN CB C 38 25.312 27.596 -2.284 1
1 409 . 6 1 1 A 38 38 GLN N N 38 116.745 116.563 0.182 1
1 411 . 6 1 1 A 39 39 ALA H H 39 7.636 7.200 0.435 1
1 412 . 6 1 1 A 39 39 ALA HA H 39 4.210 4.221 -0.011 1
1 416 . 6 1 1 A 39 39 ALA CA C 39 50.313 52.715 -2.402 1
1 417 . 6 1 1 A 39 39 ALA CB C 39 16.278 18.461 -2.183 1
1 418 . 6 1 1 A 39 39 ALA N N 39 118.576 121.656 -3.080 1
1 419 . 6 1 1 A 40 40 SER H H 40 8.246 7.607 0.639 1
1 420 . 6 1 1 A 40 40 SER HA H 40 4.681 4.979 -0.297 1
1 423 . 6 1 1 A 40 40 SER CA C 40 55.122 55.302 -0.180 1
1 424 . 6 1 1 A 40 40 SER CB C 40 60.938 65.291 -4.353 1
1 425 . 6 1 1 A 40 40 SER N N 40 119.184 114.090 5.094 1
1 426 . 6 1 1 A 41 41 PRO HA H 41 4.083 4.329 -0.246 1
1 432 . 6 1 1 A 41 41 PRO CA C 41 62.800 65.424 -2.624 1
1 434 . 6 1 1 A 42 42 GLU H H 42 9.832 8.468 1.363 1
1 435 . 6 1 1 A 42 42 GLU HA H 42 3.961 4.257 -0.296 1
1 440 . 6 1 1 A 42 42 GLU CA C 42 57.832 59.583 -1.751 1
1 441 . 6 1 1 A 42 42 GLU CB C 42 27.812 29.421 -1.609 1
1 443 . 6 1 1 A 42 42 GLU N N 42 115.590 118.065 -2.475 1
1 444 . 6 1 1 A 43 43 TYR H H 43 7.138 8.422 -1.284 1
1 445 . 6 1 1 A 43 43 TYR HA H 43 4.192 4.638 -0.446 1
1 452 . 6 1 1 A 43 43 TYR CA C 43 58.438 61.840 -3.402 1
1 453 . 6 1 1 A 43 43 TYR CB C 43 37.812 38.861 -1.049 1
1 456 . 6 1 1 A 43 43 TYR N N 43 118.651 121.808 -3.157 1
1 457 . 6 1 1 A 44 44 GLN H H 44 7.832 8.173 -0.341 1
1 458 . 6 1 1 A 44 44 GLN HA H 44 3.506 3.944 -0.438 1
1 465 . 6 1 1 A 44 44 GLN CA C 44 56.110 58.888 -2.778 1
1 466 . 6 1 1 A 44 44 GLN CB C 44 25.161 28.640 -3.479 1
1 468 . 6 1 1 A 44 44 GLN N N 44 117.515 118.857 -1.342 1
1 470 . 6 1 1 A 45 45 ASP H H 45 8.967 8.964 0.003 1
1 471 . 6 1 1 A 45 45 ASP HA H 45 4.224 4.379 -0.155 1
1 474 . 6 1 1 A 45 45 ASP CA C 45 54.407 57.574 -3.167 1
1 475 . 6 1 1 A 45 45 ASP CB C 45 37.694 40.507 -2.813 1
1 476 . 6 1 1 A 45 45 ASP N N 45 118.351 120.401 -2.050 1
1 477 . 6 1 1 A 46 46 TYR H H 46 6.841 8.208 -1.367 1
1 478 . 6 1 1 A 46 46 TYR HA H 46 3.775 4.039 -0.264 1
1 485 . 6 1 1 A 46 46 TYR CA C 46 60.316 60.817 -0.501 1
1 486 . 6 1 1 A 46 46 TYR CB C 46 36.452 38.538 -2.086 1
1 489 . 6 1 1 A 46 46 TYR N N 46 118.500 121.395 -2.895 1
1 490 . 6 1 1 A 47 47 VAL H H 47 8.125 7.591 0.534 1
1 491 . 6 1 1 A 47 47 VAL HA H 47 2.823 3.455 -0.632 1
1 499 . 6 1 1 A 47 47 VAL CA C 47 63.553 65.448 -1.895 1
1 500 . 6 1 1 A 47 47 VAL CB C 47 27.812 30.692 -2.880 1
1 503 . 6 1 1 A 47 47 VAL N N 47 117.616 119.680 -2.064 1
1 504 . 6 1 1 A 48 48 TYR H H 48 7.857 8.235 -0.378 1
1 505 . 6 1 1 A 48 48 TYR HA H 48 3.869 4.188 -0.319 1
1 512 . 6 1 1 A 48 48 TYR CA C 48 58.622 61.148 -2.526 1
1 513 . 6 1 1 A 48 48 TYR CB C 48 35.775 38.696 -2.921 1
1 516 . 6 1 1 A 48 48 TYR N N 48 121.176 121.926 -0.750 1
1 517 . 6 1 1 A 49 49 LEU H H 49 6.926 8.649 -1.723 1
1 518 . 6 1 1 A 49 49 LEU HA H 49 3.776 3.438 0.338 1
1 528 . 6 1 1 A 49 49 LEU CA C 49 54.688 58.135 -3.447 1
1 529 . 6 1 1 A 49 49 LEU CB C 49 40.938 41.502 -0.564 1
1 533 . 6 1 1 A 49 49 LEU N N 49 116.307 119.931 -3.624 1
1 534 . 6 1 1 A 50 50 GLU H H 50 7.894 7.719 0.175 1
1 535 . 6 1 1 A 50 50 GLU HA H 50 4.212 4.004 0.208 1
1 540 . 6 1 1 A 50 50 GLU CA C 50 53.616 57.938 -4.322 1
1 541 . 6 1 1 A 50 50 GLU CB C 50 28.924 29.279 -0.355 1
1 543 . 6 1 1 A 50 50 GLU N N 50 114.774 115.610 -0.836 1
1 544 . 6 1 1 A 51 51 GLY H H 51 7.768 6.678 1.090 1
1 545 . 6 1 1 A 51 51 GLY HA2 H 51 4.168 4.031 0.137 1
1 546 . 6 1 1 A 51 51 GLY HA3 H 51 3.770 4.038 -0.268 1
1 547 . 6 1 1 A 51 51 GLY CA C 51 42.188 45.047 -2.859 1
1 548 . 6 1 1 A 51 51 GLY N N 51 109.724 103.907 5.817 1
1 549 . 6 1 1 A 52 52 THR H H 52 8.230 8.866 -0.635 1
1 550 . 6 1 1 A 52 52 THR HA H 52 3.687 4.122 -0.435 1
1 555 . 6 1 1 A 52 52 THR CA C 52 62.813 65.801 -2.988 1
1 556 . 6 1 1 A 52 52 THR CB C 52 66.564 68.612 -2.048 1
1 558 . 6 1 1 A 52 52 THR N N 52 111.611 114.041 -2.430 1
1 559 . 6 1 1 A 53 53 GLN H H 53 8.342 7.914 0.428 1
1 560 . 6 1 1 A 53 53 GLN HA H 53 3.784 4.006 -0.222 1
1 566 . 6 1 1 A 53 53 GLN CA C 53 57.117 58.702 -1.585 1
1 567 . 6 1 1 A 53 53 GLN CB C 53 24.521 28.366 -3.845 1
1 569 . 6 1 1 A 53 53 GLN N N 53 122.288 119.753 2.535 1
1 571 . 6 1 1 A 54 54 LYS H H 54 8.236 7.914 0.323 1
1 572 . 6 1 1 A 54 54 LYS HA H 54 3.784 4.028 -0.244 1
1 579 . 6 1 1 A 54 54 LYS CA C 54 57.230 58.935 -1.705 1
1 580 . 6 1 1 A 54 54 LYS CB C 54 28.437 31.976 -3.539 1
1 584 . 6 1 1 A 54 54 LYS N N 54 121.397 119.218 2.179 1
1 585 . 6 1 1 A 55 55 ALA H H 55 7.207 7.980 -0.773 1
1 586 . 6 1 1 A 55 55 ALA HA H 55 3.893 4.122 -0.229 1
1 590 . 6 1 1 A 55 55 ALA CA C 55 49.063 55.152 -6.089 1
1 591 . 6 1 1 A 55 55 ALA CB C 55 16.562 18.230 -1.668 1
1 592 . 6 1 1 A 55 55 ALA N N 55 121.624 122.680 -1.056 1
1 593 . 6 1 1 A 56 56 LYS H H 56 8.199 8.111 0.088 1
1 594 . 6 1 1 A 56 56 LYS HA H 56 2.316 2.662 -0.346 1
1 602 . 6 1 1 A 56 56 LYS CA C 56 56.514 59.099 -2.585 1
1 603 . 6 1 1 A 56 56 LYS CB C 56 29.527 31.800 -2.273 1
1 607 . 6 1 1 A 56 56 LYS N N 56 124.153 117.897 6.256 1
1 608 . 6 1 1 A 57 57 LYS H H 57 7.801 8.003 -0.202 1
1 609 . 6 1 1 A 57 57 LYS HA H 57 3.696 4.052 -0.356 1
1 616 . 6 1 1 A 57 57 LYS CA C 57 57.305 59.138 -1.833 1
1 617 . 6 1 1 A 57 57 LYS CB C 57 29.790 32.517 -2.727 1
1 621 . 6 1 1 A 57 57 LYS N N 57 120.226 117.599 2.627 1
1 622 . 6 1 1 A 58 58 LEU H H 58 7.748 7.935 -0.186 1
1 623 . 6 1 1 A 58 58 LEU HA H 58 4.014 4.035 -0.021 1
1 633 . 6 1 1 A 58 58 LEU CA C 58 55.912 57.781 -1.869 1
1 634 . 6 1 1 A 58 58 LEU CB C 58 39.313 41.867 -2.554 1
1 638 . 6 1 1 A 58 58 LEU N N 58 118.589 120.794 -2.205 1
1 639 . 6 1 1 A 59 59 PHE H H 59 7.587 8.668 -1.081 1
1 640 . 6 1 1 A 59 59 PHE HA H 59 4.181 4.127 0.054 1
1 648 . 6 1 1 A 59 59 PHE CA C 59 59.036 61.411 -2.375 1
1 649 . 6 1 1 A 59 59 PHE CB C 59 36.340 38.776 -2.436 1
1 653 . 6 1 1 A 59 59 PHE N N 59 122.478 119.288 3.190 1
1 654 . 6 1 1 A 60 60 LEU H H 60 8.576 8.776 -0.200 1
1 655 . 6 1 1 A 60 60 LEU HA H 60 3.528 3.561 -0.033 1
1 665 . 6 1 1 A 60 60 LEU CA C 60 55.084 57.965 -2.881 1
1 666 . 6 1 1 A 60 60 LEU CB C 60 38.259 41.535 -3.276 1
1 670 . 6 1 1 A 60 60 LEU N N 60 120.969 119.433 1.536 1
1 671 . 6 1 1 A 61 61 GLN H H 61 7.956 8.344 -0.388 1
1 672 . 6 1 1 A 61 61 GLN HA H 61 3.892 3.834 0.058 1
1 679 . 6 1 1 A 61 61 GLN CA C 61 56.326 59.043 -2.717 1
1 680 . 6 1 1 A 61 61 GLN CB C 61 25.581 28.431 -2.850 1
1 682 . 6 1 1 A 61 61 GLN N N 61 119.668 116.391 3.277 1
1 684 . 6 1 1 A 62 62 HIS H H 62 7.487 8.035 -0.548 1
1 685 . 6 1 1 A 62 62 HIS HA H 62 4.130 4.267 -0.137 1
1 690 . 6 1 1 A 62 62 HIS CA C 62 57.531 59.814 -2.283 1
1 691 . 6 1 1 A 62 62 HIS CB C 62 28.134 29.524 -1.390 1
1 694 . 6 1 1 A 62 62 HIS N N 62 121.475 119.305 2.170 1
1 695 . 6 1 1 A 63 63 ILE H H 63 7.747 8.384 -0.637 1
1 696 . 6 1 1 A 63 63 ILE HA H 63 3.297 3.430 -0.133 1
1 706 . 6 1 1 A 63 63 ILE CA C 63 60.408 65.507 -5.099 1
1 707 . 6 1 1 A 63 63 ILE CB C 63 33.437 37.884 -4.447 1
1 710 . 6 1 1 A 63 63 ILE N N 63 116.455 120.045 -3.590 1
1 711 . 6 1 1 A 64 64 HIS H H 64 7.703 8.402 -0.699 1
1 712 . 6 1 1 A 64 64 HIS HA H 64 3.983 4.056 -0.073 1
1 718 . 6 1 1 A 64 64 HIS CA C 64 57.832 60.328 -2.496 1
1 719 . 6 1 1 A 64 64 HIS CB C 64 27.382 29.551 -2.169 1
1 722 . 6 1 1 A 64 64 HIS N N 64 118.476 118.860 -0.384 1
1 723 . 6 1 1 A 65 65 ARG H H 65 7.501 8.300 -0.799 1
1 724 . 6 1 1 A 65 65 ARG HA H 65 3.789 4.046 -0.257 1
1 731 . 6 1 1 A 65 65 ARG CA C 65 56.966 59.374 -2.408 1
1 732 . 6 1 1 A 65 65 ARG CB C 65 27.194 29.810 -2.616 1
1 735 . 6 1 1 A 65 65 ARG N N 65 119.155 118.770 0.385 1
1 736 . 6 1 1 A 66 66 LEU H H 66 7.708 8.711 -1.003 1
1 737 . 6 1 1 A 66 66 LEU HA H 66 3.791 3.843 -0.052 1
1 747 . 6 1 1 A 66 66 LEU CA C 66 54.143 57.682 -3.539 1
1 748 . 6 1 1 A 66 66 LEU CB C 66 39.688 41.474 -1.786 1
1 752 . 6 1 1 A 66 66 LEU N N 66 118.791 120.345 -1.554 1
1 753 . 6 1 1 A 67 67 LYS H H 67 7.573 7.943 -0.370 1
1 754 . 6 1 1 A 67 67 LYS HA H 67 3.358 4.103 -0.745 1
1 761 . 6 1 1 A 67 67 LYS CA C 67 55.255 58.783 -3.528 1
1 762 . 6 1 1 A 67 67 LYS CB C 67 30.352 32.493 -2.141 1
1 766 . 6 1 1 A 67 67 LYS N N 67 118.232 117.186 1.046 1
1 767 . 6 1 1 A 68 68 HIS H H 68 7.398 8.523 -1.125 1
1 768 . 6 1 1 A 68 68 HIS HA H 68 4.287 4.737 -0.450 1
1 774 . 6 1 1 A 68 68 HIS CA C 68 53.438 54.889 -1.451 1
1 775 . 6 1 1 A 68 68 HIS CB C 68 27.156 31.379 -4.223 1
1 778 . 6 1 1 A 68 68 HIS N N 68 116.826 113.142 3.684 1
1 17 . 7 1 1 A 6 6 GLN H H 6 8.338 8.153 0.185 1
1 18 . 7 1 1 A 6 6 GLN HA H 6 4.087 4.335 -0.248 1
1 23 . 7 1 1 A 6 6 GLN CA C 6 54.294 56.220 -1.926 1
1 24 . 7 1 1 A 6 6 GLN CB C 6 25.937 29.364 -3.427 1
1 26 . 7 1 1 A 7 7 GLN H H 7 8.102 9.511 -1.409 1
1 27 . 7 1 1 A 7 7 GLN HA H 7 4.022 3.995 0.027 1
1 33 . 7 1 1 A 7 7 GLN CA C 7 54.971 58.374 -3.403 1
1 34 . 7 1 1 A 7 7 GLN CB C 7 26.139 26.651 -0.512 1
1 36 . 7 1 1 A 7 7 GLN N N 7 121.077 116.426 4.651 1
1 38 . 7 1 1 A 8 8 ILE H H 8 7.931 8.647 -0.716 1
1 39 . 7 1 1 A 8 8 ILE HA H 8 3.707 3.857 -0.150 1
1 49 . 7 1 1 A 8 8 ILE CA C 8 60.313 64.980 -4.667 1
1 50 . 7 1 1 A 8 8 ILE CB C 8 35.549 37.612 -2.063 1
1 54 . 7 1 1 A 8 8 ILE N N 8 121.658 119.790 1.868 1
1 55 . 7 1 1 A 9 9 ALA H H 9 8.066 7.437 0.629 1
1 56 . 7 1 1 A 9 9 ALA HA H 9 4.154 4.539 -0.385 1
1 60 . 7 1 1 A 9 9 ALA CA C 9 51.535 53.116 -1.581 1
1 61 . 7 1 1 A 9 9 ALA CB C 9 16.982 20.355 -3.373 1
1 62 . 7 1 1 A 9 9 ALA N N 9 125.451 122.760 2.691 1
1 63 . 7 1 1 A 10 10 THR H H 10 8.341 8.390 -0.050 1
1 64 . 7 1 1 A 10 10 THR HA H 10 4.080 4.199 -0.119 1
1 69 . 7 1 1 A 10 10 THR CA C 10 60.938 65.122 -4.184 1
1 70 . 7 1 1 A 10 10 THR CB C 10 67.814 68.368 -0.554 1
1 72 . 7 1 1 A 10 10 THR N N 10 113.598 110.895 2.703 1
1 73 . 7 1 1 A 11 11 ALA H H 11 8.169 8.110 0.059 1
1 74 . 7 1 1 A 11 11 ALA HA H 11 3.978 4.186 -0.207 1
1 78 . 7 1 1 A 11 11 ALA CA C 11 52.638 55.204 -2.566 1
1 79 . 7 1 1 A 11 11 ALA CB C 11 15.450 18.248 -2.798 1
1 80 . 7 1 1 A 12 12 LYS H H 12 8.742 7.644 1.097 1
1 81 . 7 1 1 A 12 12 LYS HA H 12 3.433 3.975 -0.542 1
1 89 . 7 1 1 A 12 12 LYS CA C 12 57.832 59.716 -1.884 1
1 90 . 7 1 1 A 12 12 LYS CB C 12 29.978 32.305 -2.327 1
1 93 . 7 1 1 A 12 12 LYS N N 12 121.423 118.651 2.772 1
1 94 . 7 1 1 A 13 13 ASP H H 13 7.689 9.118 -1.429 1
1 95 . 7 1 1 A 13 13 ASP HA H 13 4.026 4.315 -0.289 1
1 98 . 7 1 1 A 13 13 ASP CA C 13 54.896 57.567 -2.671 1
1 99 . 7 1 1 A 13 13 ASP CB C 13 37.904 42.088 -4.184 1
1 100 . 7 1 1 A 13 13 ASP N N 13 119.535 119.273 0.262 1
1 101 . 7 1 1 A 14 14 LYS H H 14 7.806 8.192 -0.387 1
1 102 . 7 1 1 A 14 14 LYS HA H 14 3.803 4.246 -0.443 1
1 105 . 7 1 1 A 14 14 LYS CA C 14 56.563 59.014 -2.451 1
1 106 . 7 1 1 A 14 14 LYS N N 14 117.395 119.834 -2.439 1
1 107 . 7 1 1 A 15 15 TYR H H 15 7.867 8.342 -0.475 1
1 108 . 7 1 1 A 15 15 TYR HA H 15 4.038 4.134 -0.096 1
1 115 . 7 1 1 A 15 15 TYR CA C 15 58.284 61.443 -3.159 1
1 116 . 7 1 1 A 15 15 TYR CB C 15 35.361 38.436 -3.075 1
1 119 . 7 1 1 A 15 15 TYR N N 15 120.763 121.448 -0.685 1
1 120 . 7 1 1 A 16 16 GLU H H 16 8.575 8.885 -0.310 1
1 121 . 7 1 1 A 16 16 GLU HA H 16 3.178 3.848 -0.670 1
1 126 . 7 1 1 A 16 16 GLU CA C 16 58.622 58.880 -0.258 1
1 127 . 7 1 1 A 16 16 GLU CB C 16 26.562 29.195 -2.633 1
1 129 . 7 1 1 A 16 16 GLU N N 16 119.244 117.252 1.992 1
1 130 . 7 1 1 A 17 17 TRP H H 17 8.082 7.945 0.137 1
1 131 . 7 1 1 A 17 17 TRP HA H 17 4.124 4.741 -0.617 1
1 140 . 7 1 1 A 17 17 TRP CA C 17 57.229 60.843 -3.614 1
1 141 . 7 1 1 A 17 17 TRP CB C 17 25.612 29.675 -4.063 1
1 147 . 7 1 1 A 17 17 TRP N N 17 120.589 123.856 -3.267 1
1 149 . 7 1 1 A 18 18 LEU H H 18 7.619 8.179 -0.560 1
1 150 . 7 1 1 A 18 18 LEU HA H 18 3.553 3.063 0.490 1
1 160 . 7 1 1 A 18 18 LEU CA C 18 55.837 57.755 -1.918 1
1 161 . 7 1 1 A 18 18 LEU CB C 18 38.786 41.559 -2.773 1
1 165 . 7 1 1 A 18 18 LEU N N 18 122.925 120.235 2.690 1
1 166 . 7 1 1 A 19 19 VAL H H 19 8.069 7.908 0.161 1
1 167 . 7 1 1 A 19 19 VAL HA H 19 3.060 3.573 -0.513 1
1 175 . 7 1 1 A 19 19 VAL CA C 19 64.268 66.636 -2.368 1
1 176 . 7 1 1 A 19 19 VAL CB C 19 28.849 31.193 -2.344 1
1 179 . 7 1 1 A 19 19 VAL N N 19 118.738 118.917 -0.179 1
1 180 . 7 1 1 A 20 20 SER H H 20 7.380 7.608 -0.228 1
1 181 . 7 1 1 A 20 20 SER HA H 20 3.569 4.479 -0.910 1
1 184 . 7 1 1 A 20 20 SER CA C 20 59.063 60.273 -1.210 1
1 185 . 7 1 1 A 20 20 SER CB C 20 60.354 63.220 -2.866 1
1 186 . 7 1 1 A 20 20 SER N N 20 111.215 113.211 -1.996 1
1 187 . 7 1 1 A 21 21 ARG H H 21 7.290 8.591 -1.300 1
1 188 . 7 1 1 A 21 21 ARG HA H 21 3.860 4.125 -0.265 1
1 195 . 7 1 1 A 21 21 ARG CA C 21 55.197 58.136 -2.939 1
1 196 . 7 1 1 A 21 21 ARG CB C 21 28.021 29.329 -1.308 1
1 199 . 7 1 1 A 21 21 ARG N N 21 119.898 122.122 -2.224 1
1 200 . 7 1 1 A 22 22 ILE H H 22 7.695 7.290 0.405 1
1 201 . 7 1 1 A 22 22 ILE HA H 22 3.900 4.038 -0.138 1
1 211 . 7 1 1 A 22 22 ILE CA C 22 59.337 62.796 -3.459 1
1 212 . 7 1 1 A 22 22 ILE CB C 22 36.562 39.144 -2.582 1
1 216 . 7 1 1 A 22 22 ILE N N 22 116.745 119.019 -2.274 1
1 217 . 7 1 1 A 23 23 VAL H H 23 7.969 8.104 -0.135 1
1 218 . 7 1 1 A 23 23 VAL HA H 23 3.887 4.295 -0.408 1
1 226 . 7 1 1 A 23 23 VAL CA C 23 60.956 62.745 -1.789 1
1 227 . 7 1 1 A 23 23 VAL CB C 23 28.307 30.760 -2.453 1
1 230 . 7 1 1 A 23 23 VAL N N 23 122.152 119.586 2.566 1
1 231 . 7 1 1 A 24 24 LYS H H 24 9.007 8.595 0.411 1
1 232 . 7 1 1 A 24 24 LYS HA H 24 4.285 4.317 -0.032 1
1 239 . 7 1 1 A 24 24 LYS CA C 24 52.838 58.749 -5.911 1
1 240 . 7 1 1 A 24 24 LYS CB C 24 30.937 33.273 -2.336 1
1 244 . 7 1 1 A 24 24 LYS N N 24 127.138 129.684 -2.546 1
1 245 . 7 1 1 A 25 25 ASN H H 25 7.936 7.906 0.030 1
1 246 . 7 1 1 A 25 25 ASN HA H 25 4.727 4.515 0.212 1
1 251 . 7 1 1 A 25 25 ASN CA C 25 49.688 51.958 -2.270 1
1 252 . 7 1 1 A 25 25 ASN CB C 25 38.574 37.087 1.487 1
1 253 . 7 1 1 A 25 25 ASN N N 25 116.900 113.455 3.445 1
1 255 . 7 1 1 A 26 26 HIS H H 26 8.035 8.147 -0.112 1
1 256 . 7 1 1 A 26 26 HIS HA H 26 4.096 4.285 -0.189 1
1 262 . 7 1 1 A 26 26 HIS CA C 26 54.755 57.357 -2.603 1
1 263 . 7 1 1 A 26 26 HIS CB C 26 27.832 27.551 0.282 1
1 266 . 7 1 1 A 26 26 HIS N N 26 117.740 117.233 0.507 1
1 267 . 7 1 1 A 27 27 ASN H H 27 7.949 8.108 -0.159 1
1 268 . 7 1 1 A 27 27 ASN HA H 27 4.537 4.942 -0.406 1
1 273 . 7 1 1 A 27 27 ASN CA C 27 50.304 52.923 -2.619 1
1 274 . 7 1 1 A 27 27 ASN CB C 27 35.850 38.875 -3.025 1
1 275 . 7 1 1 A 27 27 ASN N N 27 117.497 117.275 0.222 1
1 277 . 7 1 1 A 28 28 GLU H H 28 7.020 7.897 -0.877 1
1 278 . 7 1 1 A 28 28 GLU HA H 28 4.171 4.727 -0.556 1
1 283 . 7 1 1 A 28 28 GLU CA C 28 54.971 55.172 -0.201 1
1 284 . 7 1 1 A 28 28 GLU CB C 28 28.398 31.266 -2.868 1
1 286 . 7 1 1 A 28 28 GLU N N 28 120.910 118.237 2.673 1
1 287 . 7 1 1 A 29 29 ASN H H 29 8.539 8.702 -0.163 1
1 288 . 7 1 1 A 29 29 ASN HA H 29 5.055 5.291 -0.236 1
1 293 . 7 1 1 A 29 29 ASN CA C 29 49.375 51.955 -2.580 1
1 294 . 7 1 1 A 29 29 ASN CB C 29 38.824 40.271 -1.447 1
1 295 . 7 1 1 A 29 29 ASN N N 29 118.857 117.786 1.071 1
1 297 . 7 1 1 A 30 30 TRP H H 30 9.219 9.083 0.136 1
1 298 . 7 1 1 A 30 30 TRP HA H 30 3.637 3.213 0.424 1
1 307 . 7 1 1 A 30 30 TRP CA C 30 55.988 61.100 -5.112 1
1 308 . 7 1 1 A 30 30 TRP CB C 30 27.757 29.858 -2.101 1
1 314 . 7 1 1 A 30 30 TRP N N 30 122.308 127.171 -4.863 1
1 316 . 7 1 1 A 31 31 LEU H H 31 8.329 8.529 -0.201 1
1 317 . 7 1 1 A 31 31 LEU HA H 31 3.302 3.329 -0.027 1
1 327 . 7 1 1 A 31 31 LEU CA C 31 55.874 57.774 -1.900 1
1 328 . 7 1 1 A 31 31 LEU CB C 31 38.372 41.974 -3.602 1
1 332 . 7 1 1 A 31 31 LEU N N 31 120.479 119.789 0.690 1
1 333 . 7 1 1 A 32 32 SER H H 32 7.521 7.887 -0.366 1
1 334 . 7 1 1 A 32 32 SER HA H 32 3.893 3.995 -0.102 1
1 337 . 7 1 1 A 32 32 SER CA C 32 58.245 62.529 -4.284 1
1 338 . 7 1 1 A 32 32 SER CB C 32 60.316 62.918 -2.602 1
1 339 . 7 1 1 A 32 32 SER N N 32 112.204 113.940 -1.736 1
1 340 . 7 1 1 A 33 33 VAL H H 33 7.873 8.003 -0.130 1
1 341 . 7 1 1 A 33 33 VAL HA H 33 3.293 3.480 -0.187 1
1 349 . 7 1 1 A 33 33 VAL CA C 33 63.629 65.885 -2.256 1
1 350 . 7 1 1 A 33 33 VAL CB C 33 29.000 30.863 -1.863 1
1 353 . 7 1 1 A 33 33 VAL N N 33 121.321 121.971 -0.650 1
1 354 . 7 1 1 A 34 34 SER H H 34 8.213 7.993 0.220 1
1 355 . 7 1 1 A 34 34 SER HA H 34 2.777 3.479 -0.702 1
1 358 . 7 1 1 A 34 34 SER CA C 34 59.063 61.164 -2.101 1
1 359 . 7 1 1 A 34 34 SER CB C 34 58.438 62.215 -3.777 1
1 360 . 7 1 1 A 34 34 SER N N 34 116.084 116.301 -0.217 1
1 361 . 7 1 1 A 35 35 ARG H H 35 6.651 7.645 -0.994 1
1 362 . 7 1 1 A 35 35 ARG HA H 35 3.649 3.810 -0.161 1
1 367 . 7 1 1 A 35 35 ARG CA C 35 56.778 59.327 -2.549 1
1 368 . 7 1 1 A 35 35 ARG CB C 35 26.892 29.829 -2.937 1
1 371 . 7 1 1 A 35 35 ARG N N 35 120.706 121.032 -0.326 1
1 372 . 7 1 1 A 36 36 LYS H H 36 7.074 7.714 -0.640 1
1 373 . 7 1 1 A 36 36 LYS HA H 36 3.840 3.878 -0.038 1
1 380 . 7 1 1 A 36 36 LYS CA C 36 56.288 59.186 -2.898 1
1 381 . 7 1 1 A 36 36 LYS CB C 36 30.091 32.140 -2.049 1
1 385 . 7 1 1 A 36 36 LYS N N 36 118.246 117.773 0.473 1
1 386 . 7 1 1 A 37 37 MET H H 37 7.362 8.917 -1.556 1
1 387 . 7 1 1 A 37 37 MET HA H 37 3.958 3.914 0.043 1
1 395 . 7 1 1 A 37 37 MET CA C 37 54.972 58.424 -3.452 1
1 396 . 7 1 1 A 37 37 MET CB C 37 31.521 31.129 0.392 1
1 398 . 7 1 1 A 37 37 MET N N 37 116.022 118.240 -2.218 1
1 399 . 7 1 1 A 38 38 GLN H H 38 6.836 8.521 -1.685 1
1 400 . 7 1 1 A 38 38 GLN HA H 38 3.455 4.282 -0.827 1
1 406 . 7 1 1 A 38 38 GLN CA C 38 55.938 57.838 -1.900 1
1 407 . 7 1 1 A 38 38 GLN CB C 38 25.312 27.175 -1.863 1
1 409 . 7 1 1 A 38 38 GLN N N 38 116.745 116.877 -0.132 1
1 411 . 7 1 1 A 39 39 ALA H H 39 7.636 7.315 0.321 1
1 412 . 7 1 1 A 39 39 ALA HA H 39 4.210 4.247 -0.037 1
1 416 . 7 1 1 A 39 39 ALA CA C 39 50.313 52.771 -2.458 1
1 417 . 7 1 1 A 39 39 ALA CB C 39 16.278 18.387 -2.109 1
1 418 . 7 1 1 A 39 39 ALA N N 39 118.576 121.307 -2.731 1
1 419 . 7 1 1 A 40 40 SER H H 40 8.246 7.552 0.695 1
1 420 . 7 1 1 A 40 40 SER HA H 40 4.681 4.962 -0.281 1
1 423 . 7 1 1 A 40 40 SER CA C 40 55.122 55.298 -0.176 1
1 424 . 7 1 1 A 40 40 SER CB C 40 60.938 65.348 -4.410 1
1 425 . 7 1 1 A 40 40 SER N N 40 119.184 114.198 4.986 1
1 426 . 7 1 1 A 41 41 PRO HA H 41 4.083 4.346 -0.263 1
1 432 . 7 1 1 A 41 41 PRO CA C 41 62.800 65.352 -2.552 1
1 434 . 7 1 1 A 42 42 GLU H H 42 9.832 8.461 1.371 1
1 435 . 7 1 1 A 42 42 GLU HA H 42 3.961 4.217 -0.256 1
1 440 . 7 1 1 A 42 42 GLU CA C 42 57.832 59.894 -2.062 1
1 441 . 7 1 1 A 42 42 GLU CB C 42 27.812 29.203 -1.391 1
1 443 . 7 1 1 A 42 42 GLU N N 42 115.590 117.884 -2.294 1
1 444 . 7 1 1 A 43 43 TYR H H 43 7.138 8.385 -1.248 1
1 445 . 7 1 1 A 43 43 TYR HA H 43 4.192 4.641 -0.449 1
1 452 . 7 1 1 A 43 43 TYR CA C 43 58.438 61.852 -3.414 1
1 453 . 7 1 1 A 43 43 TYR CB C 43 37.812 38.885 -1.073 1
1 456 . 7 1 1 A 43 43 TYR N N 43 118.651 121.310 -2.659 1
1 457 . 7 1 1 A 44 44 GLN H H 44 7.832 8.145 -0.312 1
1 458 . 7 1 1 A 44 44 GLN HA H 44 3.506 3.785 -0.279 1
1 465 . 7 1 1 A 44 44 GLN CA C 44 56.110 59.060 -2.950 1
1 466 . 7 1 1 A 44 44 GLN CB C 44 25.161 28.505 -3.344 1
1 468 . 7 1 1 A 44 44 GLN N N 44 117.515 118.703 -1.188 1
1 470 . 7 1 1 A 45 45 ASP H H 45 8.967 8.759 0.208 1
1 471 . 7 1 1 A 45 45 ASP HA H 45 4.224 4.356 -0.132 1
1 474 . 7 1 1 A 45 45 ASP CA C 45 54.407 57.206 -2.799 1
1 475 . 7 1 1 A 45 45 ASP CB C 45 37.694 41.246 -3.552 1
1 476 . 7 1 1 A 45 45 ASP N N 45 118.351 120.388 -2.037 1
1 477 . 7 1 1 A 46 46 TYR H H 46 6.841 7.943 -1.102 1
1 478 . 7 1 1 A 46 46 TYR HA H 46 3.775 4.130 -0.355 1
1 485 . 7 1 1 A 46 46 TYR CA C 46 60.316 60.903 -0.587 1
1 486 . 7 1 1 A 46 46 TYR CB C 46 36.452 38.579 -2.127 1
1 489 . 7 1 1 A 46 46 TYR N N 46 118.500 120.368 -1.868 1
1 490 . 7 1 1 A 47 47 VAL H H 47 8.125 7.828 0.297 1
1 491 . 7 1 1 A 47 47 VAL HA H 47 2.823 3.466 -0.643 1
1 499 . 7 1 1 A 47 47 VAL CA C 47 63.553 65.601 -2.048 1
1 500 . 7 1 1 A 47 47 VAL CB C 47 27.812 30.771 -2.959 1
1 503 . 7 1 1 A 47 47 VAL N N 47 117.616 119.671 -2.055 1
1 504 . 7 1 1 A 48 48 TYR H H 48 7.857 8.219 -0.361 1
1 505 . 7 1 1 A 48 48 TYR HA H 48 3.869 4.181 -0.312 1
1 512 . 7 1 1 A 48 48 TYR CA C 48 58.622 61.433 -2.811 1
1 513 . 7 1 1 A 48 48 TYR CB C 48 35.775 38.524 -2.749 1
1 516 . 7 1 1 A 48 48 TYR N N 48 121.176 122.267 -1.091 1
1 517 . 7 1 1 A 49 49 LEU H H 49 6.926 8.640 -1.714 1
1 518 . 7 1 1 A 49 49 LEU HA H 49 3.776 3.424 0.351 1
1 528 . 7 1 1 A 49 49 LEU CA C 49 54.688 58.091 -3.403 1
1 529 . 7 1 1 A 49 49 LEU CB C 49 40.938 41.744 -0.806 1
1 533 . 7 1 1 A 49 49 LEU N N 49 116.307 119.904 -3.597 1
1 534 . 7 1 1 A 50 50 GLU H H 50 7.894 7.817 0.077 1
1 535 . 7 1 1 A 50 50 GLU HA H 50 4.212 4.133 0.079 1
1 540 . 7 1 1 A 50 50 GLU CA C 50 53.616 57.634 -4.018 1
1 541 . 7 1 1 A 50 50 GLU CB C 50 28.924 29.466 -0.542 1
1 543 . 7 1 1 A 50 50 GLU N N 50 114.774 115.872 -1.098 1
1 544 . 7 1 1 A 51 51 GLY H H 51 7.768 7.034 0.734 1
1 545 . 7 1 1 A 51 51 GLY HA2 H 51 4.168 3.993 0.175 1
1 546 . 7 1 1 A 51 51 GLY HA3 H 51 3.770 4.009 -0.239 1
1 547 . 7 1 1 A 51 51 GLY CA C 51 42.188 45.434 -3.246 1
1 548 . 7 1 1 A 51 51 GLY N N 51 109.724 103.637 6.087 1
1 549 . 7 1 1 A 52 52 THR H H 52 8.230 8.889 -0.658 1
1 550 . 7 1 1 A 52 52 THR HA H 52 3.687 4.067 -0.380 1
1 555 . 7 1 1 A 52 52 THR CA C 52 62.813 66.130 -3.317 1
1 556 . 7 1 1 A 52 52 THR CB C 52 66.564 68.826 -2.262 1
1 558 . 7 1 1 A 52 52 THR N N 52 111.611 113.751 -2.140 1
1 559 . 7 1 1 A 53 53 GLN H H 53 8.342 7.583 0.759 1
1 560 . 7 1 1 A 53 53 GLN HA H 53 3.784 4.187 -0.403 1
1 566 . 7 1 1 A 53 53 GLN CA C 53 57.117 58.913 -1.796 1
1 567 . 7 1 1 A 53 53 GLN CB C 53 24.521 28.287 -3.766 1
1 569 . 7 1 1 A 53 53 GLN N N 53 122.288 120.095 2.193 1
1 571 . 7 1 1 A 54 54 LYS H H 54 8.236 7.900 0.336 1
1 572 . 7 1 1 A 54 54 LYS HA H 54 3.784 4.005 -0.221 1
1 579 . 7 1 1 A 54 54 LYS CA C 54 57.230 59.273 -2.043 1
1 580 . 7 1 1 A 54 54 LYS CB C 54 28.437 32.293 -3.856 1
1 584 . 7 1 1 A 54 54 LYS N N 54 121.397 119.373 2.024 1
1 585 . 7 1 1 A 55 55 ALA H H 55 7.207 7.968 -0.761 1
1 586 . 7 1 1 A 55 55 ALA HA H 55 3.893 4.182 -0.289 1
1 590 . 7 1 1 A 55 55 ALA CA C 55 49.063 55.023 -5.960 1
1 591 . 7 1 1 A 55 55 ALA CB C 55 16.562 18.021 -1.459 1
1 592 . 7 1 1 A 55 55 ALA N N 55 121.624 122.239 -0.615 1
1 593 . 7 1 1 A 56 56 LYS H H 56 8.199 7.747 0.452 1
1 594 . 7 1 1 A 56 56 LYS HA H 56 2.316 2.536 -0.220 1
1 602 . 7 1 1 A 56 56 LYS CA C 56 56.514 58.804 -2.290 1
1 603 . 7 1 1 A 56 56 LYS CB C 56 29.527 31.477 -1.950 1
1 607 . 7 1 1 A 56 56 LYS N N 56 124.153 117.760 6.393 1
1 608 . 7 1 1 A 57 57 LYS H H 57 7.801 7.870 -0.069 1
1 609 . 7 1 1 A 57 57 LYS HA H 57 3.696 3.983 -0.287 1
1 616 . 7 1 1 A 57 57 LYS CA C 57 57.305 59.030 -1.725 1
1 617 . 7 1 1 A 57 57 LYS CB C 57 29.790 32.707 -2.917 1
1 621 . 7 1 1 A 57 57 LYS N N 57 120.226 118.056 2.170 1
1 622 . 7 1 1 A 58 58 LEU H H 58 7.748 8.062 -0.313 1
1 623 . 7 1 1 A 58 58 LEU HA H 58 4.014 4.039 -0.025 1
1 633 . 7 1 1 A 58 58 LEU CA C 58 55.912 57.699 -1.787 1
1 634 . 7 1 1 A 58 58 LEU CB C 58 39.313 41.870 -2.557 1
1 638 . 7 1 1 A 58 58 LEU N N 58 118.589 120.929 -2.340 1
1 639 . 7 1 1 A 59 59 PHE H H 59 7.587 8.743 -1.156 1
1 640 . 7 1 1 A 59 59 PHE HA H 59 4.181 4.142 0.039 1
1 648 . 7 1 1 A 59 59 PHE CA C 59 59.036 61.234 -2.198 1
1 649 . 7 1 1 A 59 59 PHE CB C 59 36.340 38.864 -2.524 1
1 653 . 7 1 1 A 59 59 PHE N N 59 122.478 119.244 3.234 1
1 654 . 7 1 1 A 60 60 LEU H H 60 8.576 9.142 -0.566 1
1 655 . 7 1 1 A 60 60 LEU HA H 60 3.528 3.617 -0.089 1
1 665 . 7 1 1 A 60 60 LEU CA C 60 55.084 58.160 -3.076 1
1 666 . 7 1 1 A 60 60 LEU CB C 60 38.259 41.659 -3.400 1
1 670 . 7 1 1 A 60 60 LEU N N 60 120.969 119.524 1.445 1
1 671 . 7 1 1 A 61 61 GLN H H 61 7.956 8.800 -0.844 1
1 672 . 7 1 1 A 61 61 GLN HA H 61 3.892 4.038 -0.146 1
1 679 . 7 1 1 A 61 61 GLN CA C 61 56.326 58.268 -1.942 1
1 680 . 7 1 1 A 61 61 GLN CB C 61 25.581 28.220 -2.639 1
1 682 . 7 1 1 A 61 61 GLN N N 61 119.668 117.290 2.378 1
1 684 . 7 1 1 A 62 62 HIS H H 62 7.487 8.173 -0.686 1
1 685 . 7 1 1 A 62 62 HIS HA H 62 4.130 4.322 -0.192 1
1 690 . 7 1 1 A 62 62 HIS CA C 62 57.531 59.714 -2.183 1
1 691 . 7 1 1 A 62 62 HIS CB C 62 28.134 30.205 -2.071 1
1 694 . 7 1 1 A 62 62 HIS N N 62 121.475 119.704 1.771 1
1 695 . 7 1 1 A 63 63 ILE H H 63 7.747 8.496 -0.750 1
1 696 . 7 1 1 A 63 63 ILE HA H 63 3.297 3.424 -0.127 1
1 706 . 7 1 1 A 63 63 ILE CA C 63 60.408 65.492 -5.084 1
1 707 . 7 1 1 A 63 63 ILE CB C 63 33.437 37.824 -4.387 1
1 710 . 7 1 1 A 63 63 ILE N N 63 116.455 119.962 -3.507 1
1 711 . 7 1 1 A 64 64 HIS H H 64 7.703 8.419 -0.716 1
1 712 . 7 1 1 A 64 64 HIS HA H 64 3.983 4.115 -0.132 1
1 718 . 7 1 1 A 64 64 HIS CA C 64 57.832 60.036 -2.204 1
1 719 . 7 1 1 A 64 64 HIS CB C 64 27.382 29.726 -2.344 1
1 722 . 7 1 1 A 64 64 HIS N N 64 118.476 118.811 -0.335 1
1 723 . 7 1 1 A 65 65 ARG H H 65 7.501 8.317 -0.816 1
1 724 . 7 1 1 A 65 65 ARG HA H 65 3.789 4.014 -0.225 1
1 731 . 7 1 1 A 65 65 ARG CA C 65 56.966 59.422 -2.456 1
1 732 . 7 1 1 A 65 65 ARG CB C 65 27.194 29.782 -2.588 1
1 735 . 7 1 1 A 65 65 ARG N N 65 119.155 117.604 1.551 1
1 736 . 7 1 1 A 66 66 LEU H H 66 7.708 8.578 -0.870 1
1 737 . 7 1 1 A 66 66 LEU HA H 66 3.791 3.899 -0.108 1
1 747 . 7 1 1 A 66 66 LEU CA C 66 54.143 57.961 -3.818 1
1 748 . 7 1 1 A 66 66 LEU CB C 66 39.688 41.808 -2.120 1
1 752 . 7 1 1 A 66 66 LEU N N 66 118.791 119.842 -1.051 1
1 753 . 7 1 1 A 67 67 LYS H H 67 7.573 7.669 -0.096 1
1 754 . 7 1 1 A 67 67 LYS HA H 67 3.358 4.242 -0.884 1
1 761 . 7 1 1 A 67 67 LYS CA C 67 55.255 58.252 -2.997 1
1 762 . 7 1 1 A 67 67 LYS CB C 67 30.352 32.785 -2.433 1
1 766 . 7 1 1 A 67 67 LYS N N 67 118.232 116.795 1.437 1
1 767 . 7 1 1 A 68 68 HIS H H 68 7.398 8.438 -1.040 1
1 768 . 7 1 1 A 68 68 HIS HA H 68 4.287 4.817 -0.530 1
1 774 . 7 1 1 A 68 68 HIS CA C 68 53.438 54.148 -0.710 1
1 775 . 7 1 1 A 68 68 HIS CB C 68 27.156 30.333 -3.177 1
1 778 . 7 1 1 A 68 68 HIS N N 68 116.826 113.433 3.393 1
1 17 . 8 1 1 A 6 6 GLN H H 6 8.338 8.025 0.313 1
1 18 . 8 1 1 A 6 6 GLN HA H 6 4.087 4.266 -0.179 1
1 23 . 8 1 1 A 6 6 GLN CA C 6 54.294 55.975 -1.681 1
1 24 . 8 1 1 A 6 6 GLN CB C 6 25.937 27.837 -1.900 1
1 26 . 8 1 1 A 7 7 GLN H H 7 8.102 8.674 -0.572 1
1 27 . 8 1 1 A 7 7 GLN HA H 7 4.022 4.593 -0.571 1
1 33 . 8 1 1 A 7 7 GLN CA C 7 54.971 57.147 -2.176 1
1 34 . 8 1 1 A 7 7 GLN CB C 7 26.139 31.323 -5.184 1
1 36 . 8 1 1 A 7 7 GLN N N 7 121.077 119.142 1.935 1
1 38 . 8 1 1 A 8 8 ILE H H 8 7.931 8.190 -0.259 1
1 39 . 8 1 1 A 8 8 ILE HA H 8 3.707 3.938 -0.231 1
1 49 . 8 1 1 A 8 8 ILE CA C 8 60.313 65.502 -5.189 1
1 50 . 8 1 1 A 8 8 ILE CB C 8 35.549 37.336 -1.787 1
1 54 . 8 1 1 A 8 8 ILE N N 8 121.658 119.890 1.768 1
1 55 . 8 1 1 A 9 9 ALA H H 9 8.066 7.467 0.600 1
1 56 . 8 1 1 A 9 9 ALA HA H 9 4.154 4.246 -0.092 1
1 60 . 8 1 1 A 9 9 ALA CA C 9 51.535 54.983 -3.447 1
1 61 . 8 1 1 A 9 9 ALA CB C 9 16.982 19.502 -2.521 1
1 62 . 8 1 1 A 9 9 ALA N N 9 125.451 123.648 1.803 1
1 63 . 8 1 1 A 10 10 THR H H 10 8.341 8.371 -0.030 1
1 64 . 8 1 1 A 10 10 THR HA H 10 4.080 4.168 -0.088 1
1 69 . 8 1 1 A 10 10 THR CA C 10 60.938 64.911 -3.973 1
1 70 . 8 1 1 A 10 10 THR CB C 10 67.814 68.295 -0.481 1
1 72 . 8 1 1 A 10 10 THR N N 10 113.598 110.395 3.203 1
1 73 . 8 1 1 A 11 11 ALA H H 11 8.169 8.497 -0.328 1
1 74 . 8 1 1 A 11 11 ALA HA H 11 3.978 4.021 -0.043 1
1 78 . 8 1 1 A 11 11 ALA CA C 11 52.638 55.400 -2.762 1
1 79 . 8 1 1 A 11 11 ALA CB C 11 15.450 18.352 -2.902 1
1 80 . 8 1 1 A 12 12 LYS H H 12 8.742 7.991 0.751 1
1 81 . 8 1 1 A 12 12 LYS HA H 12 3.433 3.193 0.240 1
1 89 . 8 1 1 A 12 12 LYS CA C 12 57.832 59.415 -1.583 1
1 90 . 8 1 1 A 12 12 LYS CB C 12 29.978 32.118 -2.140 1
1 93 . 8 1 1 A 12 12 LYS N N 12 121.423 118.343 3.080 1
1 94 . 8 1 1 A 13 13 ASP H H 13 7.689 8.821 -1.133 1
1 95 . 8 1 1 A 13 13 ASP HA H 13 4.026 4.295 -0.269 1
1 98 . 8 1 1 A 13 13 ASP CA C 13 54.896 57.522 -2.626 1
1 99 . 8 1 1 A 13 13 ASP CB C 13 37.904 42.022 -4.119 1
1 100 . 8 1 1 A 13 13 ASP N N 13 119.535 119.250 0.285 1
1 101 . 8 1 1 A 14 14 LYS H H 14 7.806 8.412 -0.607 1
1 102 . 8 1 1 A 14 14 LYS HA H 14 3.803 4.276 -0.473 1
1 105 . 8 1 1 A 14 14 LYS CA C 14 56.563 59.444 -2.881 1
1 106 . 8 1 1 A 14 14 LYS N N 14 117.395 119.120 -1.725 1
1 107 . 8 1 1 A 15 15 TYR H H 15 7.867 8.466 -0.599 1
1 108 . 8 1 1 A 15 15 TYR HA H 15 4.038 4.121 -0.083 1
1 115 . 8 1 1 A 15 15 TYR CA C 15 58.284 61.852 -3.568 1
1 116 . 8 1 1 A 15 15 TYR CB C 15 35.361 38.469 -3.108 1
1 119 . 8 1 1 A 15 15 TYR N N 15 120.763 120.855 -0.092 1
1 120 . 8 1 1 A 16 16 GLU H H 16 8.575 9.102 -0.527 1
1 121 . 8 1 1 A 16 16 GLU HA H 16 3.178 3.866 -0.689 1
1 126 . 8 1 1 A 16 16 GLU CA C 16 58.622 59.205 -0.583 1
1 127 . 8 1 1 A 16 16 GLU CB C 16 26.562 29.438 -2.876 1
1 129 . 8 1 1 A 16 16 GLU N N 16 119.244 117.205 2.039 1
1 130 . 8 1 1 A 17 17 TRP H H 17 8.082 7.729 0.353 1
1 131 . 8 1 1 A 17 17 TRP HA H 17 4.124 4.622 -0.498 1
1 140 . 8 1 1 A 17 17 TRP CA C 17 57.229 61.079 -3.850 1
1 141 . 8 1 1 A 17 17 TRP CB C 17 25.612 29.723 -4.111 1
1 147 . 8 1 1 A 17 17 TRP N N 17 120.589 122.187 -1.598 1
1 149 . 8 1 1 A 18 18 LEU H H 18 7.619 8.883 -1.264 1
1 150 . 8 1 1 A 18 18 LEU HA H 18 3.553 2.965 0.588 1
1 160 . 8 1 1 A 18 18 LEU CA C 18 55.837 57.776 -1.939 1
1 161 . 8 1 1 A 18 18 LEU CB C 18 38.786 41.456 -2.670 1
1 165 . 8 1 1 A 18 18 LEU N N 18 122.925 119.686 3.239 1
1 166 . 8 1 1 A 19 19 VAL H H 19 8.069 8.111 -0.042 1
1 167 . 8 1 1 A 19 19 VAL HA H 19 3.060 3.423 -0.363 1
1 175 . 8 1 1 A 19 19 VAL CA C 19 64.268 66.787 -2.519 1
1 176 . 8 1 1 A 19 19 VAL CB C 19 28.849 31.163 -2.314 1
1 179 . 8 1 1 A 19 19 VAL N N 19 118.738 118.057 0.681 1
1 180 . 8 1 1 A 20 20 SER H H 20 7.380 7.590 -0.210 1
1 181 . 8 1 1 A 20 20 SER HA H 20 3.569 4.317 -0.748 1
1 184 . 8 1 1 A 20 20 SER CA C 20 59.063 60.500 -1.437 1
1 185 . 8 1 1 A 20 20 SER CB C 20 60.354 62.802 -2.448 1
1 186 . 8 1 1 A 20 20 SER N N 20 111.215 113.505 -2.290 1
1 187 . 8 1 1 A 21 21 ARG H H 21 7.290 8.502 -1.212 1
1 188 . 8 1 1 A 21 21 ARG HA H 21 3.860 4.177 -0.317 1
1 195 . 8 1 1 A 21 21 ARG CA C 21 55.197 57.776 -2.579 1
1 196 . 8 1 1 A 21 21 ARG CB C 21 28.021 29.140 -1.119 1
1 199 . 8 1 1 A 21 21 ARG N N 21 119.898 121.991 -2.093 1
1 200 . 8 1 1 A 22 22 ILE H H 22 7.695 7.157 0.538 1
1 201 . 8 1 1 A 22 22 ILE HA H 22 3.900 4.081 -0.181 1
1 211 . 8 1 1 A 22 22 ILE CA C 22 59.337 62.857 -3.520 1
1 212 . 8 1 1 A 22 22 ILE CB C 22 36.562 38.692 -2.130 1
1 216 . 8 1 1 A 22 22 ILE N N 22 116.745 119.126 -2.381 1
1 217 . 8 1 1 A 23 23 VAL H H 23 7.969 7.917 0.052 1
1 218 . 8 1 1 A 23 23 VAL HA H 23 3.887 4.340 -0.453 1
1 226 . 8 1 1 A 23 23 VAL CA C 23 60.956 62.877 -1.921 1
1 227 . 8 1 1 A 23 23 VAL CB C 23 28.307 30.903 -2.596 1
1 230 . 8 1 1 A 23 23 VAL N N 23 122.152 120.361 1.791 1
1 231 . 8 1 1 A 24 24 LYS H H 24 9.007 8.066 0.941 1
1 232 . 8 1 1 A 24 24 LYS HA H 24 4.285 4.399 -0.114 1
1 239 . 8 1 1 A 24 24 LYS CA C 24 52.838 58.675 -5.837 1
1 240 . 8 1 1 A 24 24 LYS CB C 24 30.937 32.710 -1.773 1
1 244 . 8 1 1 A 24 24 LYS N N 24 127.138 127.322 -0.184 1
1 245 . 8 1 1 A 25 25 ASN H H 25 7.936 7.994 -0.058 1
1 246 . 8 1 1 A 25 25 ASN HA H 25 4.727 4.511 0.216 1
1 251 . 8 1 1 A 25 25 ASN CA C 25 49.688 52.088 -2.400 1
1 252 . 8 1 1 A 25 25 ASN CB C 25 38.574 37.333 1.241 1
1 253 . 8 1 1 A 25 25 ASN N N 25 116.900 114.111 2.789 1
1 255 . 8 1 1 A 26 26 HIS H H 26 8.035 8.188 -0.153 1
1 256 . 8 1 1 A 26 26 HIS HA H 26 4.096 4.227 -0.131 1
1 262 . 8 1 1 A 26 26 HIS CA C 26 54.755 57.252 -2.498 1
1 263 . 8 1 1 A 26 26 HIS CB C 26 27.832 27.547 0.285 1
1 266 . 8 1 1 A 26 26 HIS N N 26 117.740 118.042 -0.302 1
1 267 . 8 1 1 A 27 27 ASN H H 27 7.949 8.283 -0.334 1
1 268 . 8 1 1 A 27 27 ASN HA H 27 4.537 4.911 -0.374 1
1 273 . 8 1 1 A 27 27 ASN CA C 27 50.304 53.014 -2.710 1
1 274 . 8 1 1 A 27 27 ASN CB C 27 35.850 38.898 -3.048 1
1 275 . 8 1 1 A 27 27 ASN N N 27 117.497 117.092 0.405 1
1 277 . 8 1 1 A 28 28 GLU H H 28 7.020 8.011 -0.991 1
1 278 . 8 1 1 A 28 28 GLU HA H 28 4.171 4.782 -0.611 1
1 283 . 8 1 1 A 28 28 GLU CA C 28 54.971 55.240 -0.269 1
1 284 . 8 1 1 A 28 28 GLU CB C 28 28.398 31.599 -3.201 1
1 286 . 8 1 1 A 28 28 GLU N N 28 120.910 118.092 2.818 1
1 287 . 8 1 1 A 29 29 ASN H H 29 8.539 8.520 0.019 1
1 288 . 8 1 1 A 29 29 ASN HA H 29 5.055 5.342 -0.287 1
1 293 . 8 1 1 A 29 29 ASN CA C 29 49.375 52.162 -2.787 1
1 294 . 8 1 1 A 29 29 ASN CB C 29 38.824 40.902 -2.078 1
1 295 . 8 1 1 A 29 29 ASN N N 29 118.857 119.232 -0.375 1
1 297 . 8 1 1 A 30 30 TRP H H 30 9.219 9.158 0.061 1
1 298 . 8 1 1 A 30 30 TRP HA H 30 3.637 3.131 0.506 1
1 307 . 8 1 1 A 30 30 TRP CA C 30 55.988 61.099 -5.111 1
1 308 . 8 1 1 A 30 30 TRP CB C 30 27.757 30.009 -2.252 1
1 314 . 8 1 1 A 30 30 TRP N N 30 122.308 128.187 -5.879 1
1 316 . 8 1 1 A 31 31 LEU H H 31 8.329 7.989 0.340 1
1 317 . 8 1 1 A 31 31 LEU HA H 31 3.302 3.305 -0.003 1
1 327 . 8 1 1 A 31 31 LEU CA C 31 55.874 57.686 -1.812 1
1 328 . 8 1 1 A 31 31 LEU CB C 31 38.372 41.801 -3.429 1
1 332 . 8 1 1 A 31 31 LEU N N 31 120.479 119.772 0.707 1
1 333 . 8 1 1 A 32 32 SER H H 32 7.521 7.871 -0.350 1
1 334 . 8 1 1 A 32 32 SER HA H 32 3.893 3.975 -0.082 1
1 337 . 8 1 1 A 32 32 SER CA C 32 58.245 62.589 -4.344 1
1 338 . 8 1 1 A 32 32 SER CB C 32 60.316 62.852 -2.536 1
1 339 . 8 1 1 A 32 32 SER N N 32 112.204 113.701 -1.497 1
1 340 . 8 1 1 A 33 33 VAL H H 33 7.873 7.762 0.112 1
1 341 . 8 1 1 A 33 33 VAL HA H 33 3.293 3.471 -0.178 1
1 349 . 8 1 1 A 33 33 VAL CA C 33 63.629 66.237 -2.608 1
1 350 . 8 1 1 A 33 33 VAL CB C 33 29.000 31.232 -2.232 1
1 353 . 8 1 1 A 33 33 VAL N N 33 121.321 121.759 -0.438 1
1 354 . 8 1 1 A 34 34 SER H H 34 8.213 7.847 0.366 1
1 355 . 8 1 1 A 34 34 SER HA H 34 2.777 3.546 -0.769 1
1 358 . 8 1 1 A 34 34 SER CA C 34 59.063 61.346 -2.283 1
1 359 . 8 1 1 A 34 34 SER CB C 34 58.438 62.403 -3.965 1
1 360 . 8 1 1 A 34 34 SER N N 34 116.084 115.942 0.142 1
1 361 . 8 1 1 A 35 35 ARG H H 35 6.651 7.760 -1.109 1
1 362 . 8 1 1 A 35 35 ARG HA H 35 3.649 3.846 -0.197 1
1 367 . 8 1 1 A 35 35 ARG CA C 35 56.778 59.381 -2.603 1
1 368 . 8 1 1 A 35 35 ARG CB C 35 26.892 29.970 -3.078 1
1 371 . 8 1 1 A 35 35 ARG N N 35 120.706 122.044 -1.338 1
1 372 . 8 1 1 A 36 36 LYS H H 36 7.074 7.799 -0.725 1
1 373 . 8 1 1 A 36 36 LYS HA H 36 3.840 3.878 -0.038 1
1 380 . 8 1 1 A 36 36 LYS CA C 36 56.288 59.300 -3.012 1
1 381 . 8 1 1 A 36 36 LYS CB C 36 30.091 32.133 -2.042 1
1 385 . 8 1 1 A 36 36 LYS N N 36 118.246 119.448 -1.202 1
1 386 . 8 1 1 A 37 37 MET H H 37 7.362 8.957 -1.595 1
1 387 . 8 1 1 A 37 37 MET HA H 37 3.958 4.002 -0.044 1
1 395 . 8 1 1 A 37 37 MET CA C 37 54.972 57.634 -2.662 1
1 396 . 8 1 1 A 37 37 MET CB C 37 31.521 30.549 0.972 1
1 398 . 8 1 1 A 37 37 MET N N 37 116.022 117.956 -1.934 1
1 399 . 8 1 1 A 38 38 GLN H H 38 6.836 8.268 -1.432 1
1 400 . 8 1 1 A 38 38 GLN HA H 38 3.455 3.722 -0.267 1
1 406 . 8 1 1 A 38 38 GLN CA C 38 55.938 57.916 -1.978 1
1 407 . 8 1 1 A 38 38 GLN CB C 38 25.312 28.202 -2.890 1
1 409 . 8 1 1 A 38 38 GLN N N 38 116.745 117.641 -0.896 1
1 411 . 8 1 1 A 39 39 ALA H H 39 7.636 7.538 0.098 1
1 412 . 8 1 1 A 39 39 ALA HA H 39 4.210 4.292 -0.082 1
1 416 . 8 1 1 A 39 39 ALA CA C 39 50.313 52.377 -2.064 1
1 417 . 8 1 1 A 39 39 ALA CB C 39 16.278 18.004 -1.726 1
1 418 . 8 1 1 A 39 39 ALA N N 39 118.576 120.788 -2.212 1
1 419 . 8 1 1 A 40 40 SER H H 40 8.246 7.695 0.551 1
1 420 . 8 1 1 A 40 40 SER HA H 40 4.681 4.977 -0.296 1
1 423 . 8 1 1 A 40 40 SER CA C 40 55.122 55.385 -0.263 1
1 424 . 8 1 1 A 40 40 SER CB C 40 60.938 65.577 -4.639 1
1 425 . 8 1 1 A 40 40 SER N N 40 119.184 114.707 4.477 1
1 426 . 8 1 1 A 41 41 PRO HA H 41 4.083 4.355 -0.272 1
1 432 . 8 1 1 A 41 41 PRO CA C 41 62.800 65.432 -2.632 1
1 434 . 8 1 1 A 42 42 GLU H H 42 9.832 8.496 1.335 1
1 435 . 8 1 1 A 42 42 GLU HA H 42 3.961 4.235 -0.274 1
1 440 . 8 1 1 A 42 42 GLU CA C 42 57.832 59.348 -1.516 1
1 441 . 8 1 1 A 42 42 GLU CB C 42 27.812 29.388 -1.576 1
1 443 . 8 1 1 A 42 42 GLU N N 42 115.590 117.965 -2.375 1
1 444 . 8 1 1 A 43 43 TYR H H 43 7.138 8.318 -1.181 1
1 445 . 8 1 1 A 43 43 TYR HA H 43 4.192 4.562 -0.370 1
1 452 . 8 1 1 A 43 43 TYR CA C 43 58.438 61.614 -3.176 1
1 453 . 8 1 1 A 43 43 TYR CB C 43 37.812 38.785 -0.973 1
1 456 . 8 1 1 A 43 43 TYR N N 43 118.651 121.640 -2.989 1
1 457 . 8 1 1 A 44 44 GLN H H 44 7.832 8.419 -0.587 1
1 458 . 8 1 1 A 44 44 GLN HA H 44 3.506 3.873 -0.367 1
1 465 . 8 1 1 A 44 44 GLN CA C 44 56.110 59.023 -2.913 1
1 466 . 8 1 1 A 44 44 GLN CB C 44 25.161 28.634 -3.473 1
1 468 . 8 1 1 A 44 44 GLN N N 44 117.515 118.893 -1.378 1
1 470 . 8 1 1 A 45 45 ASP H H 45 8.967 8.496 0.471 1
1 471 . 8 1 1 A 45 45 ASP HA H 45 4.224 4.371 -0.147 1
1 474 . 8 1 1 A 45 45 ASP CA C 45 54.407 57.199 -2.792 1
1 475 . 8 1 1 A 45 45 ASP CB C 45 37.694 41.322 -3.628 1
1 476 . 8 1 1 A 45 45 ASP N N 45 118.351 120.276 -1.925 1
1 477 . 8 1 1 A 46 46 TYR H H 46 6.841 8.084 -1.243 1
1 478 . 8 1 1 A 46 46 TYR HA H 46 3.775 4.117 -0.342 1
1 485 . 8 1 1 A 46 46 TYR CA C 46 60.316 61.474 -1.158 1
1 486 . 8 1 1 A 46 46 TYR CB C 46 36.452 38.711 -2.259 1
1 489 . 8 1 1 A 46 46 TYR N N 46 118.500 120.539 -2.039 1
1 490 . 8 1 1 A 47 47 VAL H H 47 8.125 7.977 0.148 1
1 491 . 8 1 1 A 47 47 VAL HA H 47 2.823 3.400 -0.577 1
1 499 . 8 1 1 A 47 47 VAL CA C 47 63.553 65.300 -1.747 1
1 500 . 8 1 1 A 47 47 VAL CB C 47 27.812 30.800 -2.988 1
1 503 . 8 1 1 A 47 47 VAL N N 47 117.616 119.568 -1.952 1
1 504 . 8 1 1 A 48 48 TYR H H 48 7.857 8.091 -0.233 1
1 505 . 8 1 1 A 48 48 TYR HA H 48 3.869 4.167 -0.298 1
1 512 . 8 1 1 A 48 48 TYR CA C 48 58.622 61.356 -2.734 1
1 513 . 8 1 1 A 48 48 TYR CB C 48 35.775 38.764 -2.989 1
1 516 . 8 1 1 A 48 48 TYR N N 48 121.176 121.999 -0.823 1
1 517 . 8 1 1 A 49 49 LEU H H 49 6.926 7.677 -0.751 1
1 518 . 8 1 1 A 49 49 LEU HA H 49 3.776 3.595 0.180 1
1 528 . 8 1 1 A 49 49 LEU CA C 49 54.688 57.636 -2.948 1
1 529 . 8 1 1 A 49 49 LEU CB C 49 40.938 41.103 -0.165 1
1 533 . 8 1 1 A 49 49 LEU N N 49 116.307 119.408 -3.101 1
1 534 . 8 1 1 A 50 50 GLU H H 50 7.894 7.616 0.279 1
1 535 . 8 1 1 A 50 50 GLU HA H 50 4.212 4.074 0.138 1
1 540 . 8 1 1 A 50 50 GLU CA C 50 53.616 57.733 -4.117 1
1 541 . 8 1 1 A 50 50 GLU CB C 50 28.924 29.720 -0.796 1
1 543 . 8 1 1 A 50 50 GLU N N 50 114.774 117.274 -2.500 1
1 544 . 8 1 1 A 51 51 GLY H H 51 7.768 6.484 1.284 1
1 545 . 8 1 1 A 51 51 GLY HA2 H 51 4.168 3.991 0.177 1
1 546 . 8 1 1 A 51 51 GLY HA3 H 51 3.770 3.991 -0.221 1
1 547 . 8 1 1 A 51 51 GLY CA C 51 42.188 45.363 -3.175 1
1 548 . 8 1 1 A 51 51 GLY N N 51 109.724 103.720 6.004 1
1 549 . 8 1 1 A 52 52 THR H H 52 8.230 8.983 -0.753 1
1 550 . 8 1 1 A 52 52 THR HA H 52 3.687 4.123 -0.436 1
1 555 . 8 1 1 A 52 52 THR CA C 52 62.813 65.594 -2.781 1
1 556 . 8 1 1 A 52 52 THR CB C 52 66.564 69.019 -2.455 1
1 558 . 8 1 1 A 52 52 THR N N 52 111.611 114.929 -3.318 1
1 559 . 8 1 1 A 53 53 GLN H H 53 8.342 7.620 0.722 1
1 560 . 8 1 1 A 53 53 GLN HA H 53 3.784 4.059 -0.275 1
1 566 . 8 1 1 A 53 53 GLN CA C 53 57.117 58.594 -1.477 1
1 567 . 8 1 1 A 53 53 GLN CB C 53 24.521 28.548 -4.027 1
1 569 . 8 1 1 A 53 53 GLN N N 53 122.288 119.805 2.483 1
1 571 . 8 1 1 A 54 54 LYS H H 54 8.236 7.868 0.368 1
1 572 . 8 1 1 A 54 54 LYS HA H 54 3.784 3.976 -0.192 1
1 579 . 8 1 1 A 54 54 LYS CA C 54 57.230 59.275 -2.045 1
1 580 . 8 1 1 A 54 54 LYS CB C 54 28.437 32.090 -3.653 1
1 584 . 8 1 1 A 54 54 LYS N N 54 121.397 119.568 1.829 1
1 585 . 8 1 1 A 55 55 ALA H H 55 7.207 7.797 -0.591 1
1 586 . 8 1 1 A 55 55 ALA HA H 55 3.893 3.969 -0.076 1
1 590 . 8 1 1 A 55 55 ALA CA C 55 49.063 54.738 -5.675 1
1 591 . 8 1 1 A 55 55 ALA CB C 55 16.562 18.195 -1.633 1
1 592 . 8 1 1 A 55 55 ALA N N 55 121.624 121.878 -0.254 1
1 593 . 8 1 1 A 56 56 LYS H H 56 8.199 7.580 0.619 1
1 594 . 8 1 1 A 56 56 LYS HA H 56 2.316 2.429 -0.113 1
1 602 . 8 1 1 A 56 56 LYS CA C 56 56.514 58.820 -2.306 1
1 603 . 8 1 1 A 56 56 LYS CB C 56 29.527 31.555 -2.028 1
1 607 . 8 1 1 A 56 56 LYS N N 56 124.153 117.789 6.364 1
1 608 . 8 1 1 A 57 57 LYS H H 57 7.801 7.664 0.138 1
1 609 . 8 1 1 A 57 57 LYS HA H 57 3.696 4.009 -0.313 1
1 616 . 8 1 1 A 57 57 LYS CA C 57 57.305 59.282 -1.977 1
1 617 . 8 1 1 A 57 57 LYS CB C 57 29.790 32.393 -2.603 1
1 621 . 8 1 1 A 57 57 LYS N N 57 120.226 117.405 2.821 1
1 622 . 8 1 1 A 58 58 LEU H H 58 7.748 8.213 -0.464 1
1 623 . 8 1 1 A 58 58 LEU HA H 58 4.014 4.058 -0.044 1
1 633 . 8 1 1 A 58 58 LEU CA C 58 55.912 57.833 -1.921 1
1 634 . 8 1 1 A 58 58 LEU CB C 58 39.313 42.027 -2.714 1
1 638 . 8 1 1 A 58 58 LEU N N 58 118.589 120.739 -2.150 1
1 639 . 8 1 1 A 59 59 PHE H H 59 7.587 8.737 -1.150 1
1 640 . 8 1 1 A 59 59 PHE HA H 59 4.181 4.200 -0.019 1
1 648 . 8 1 1 A 59 59 PHE CA C 59 59.036 61.243 -2.207 1
1 649 . 8 1 1 A 59 59 PHE CB C 59 36.340 38.959 -2.619 1
1 653 . 8 1 1 A 59 59 PHE N N 59 122.478 119.248 3.230 1
1 654 . 8 1 1 A 60 60 LEU H H 60 8.576 8.633 -0.056 1
1 655 . 8 1 1 A 60 60 LEU HA H 60 3.528 3.627 -0.099 1
1 665 . 8 1 1 A 60 60 LEU CA C 60 55.084 58.014 -2.930 1
1 666 . 8 1 1 A 60 60 LEU CB C 60 38.259 41.548 -3.289 1
1 670 . 8 1 1 A 60 60 LEU N N 60 120.969 119.314 1.655 1
1 671 . 8 1 1 A 61 61 GLN H H 61 7.956 8.404 -0.448 1
1 672 . 8 1 1 A 61 61 GLN HA H 61 3.892 3.863 0.029 1
1 679 . 8 1 1 A 61 61 GLN CA C 61 56.326 58.984 -2.658 1
1 680 . 8 1 1 A 61 61 GLN CB C 61 25.581 28.365 -2.784 1
1 682 . 8 1 1 A 61 61 GLN N N 61 119.668 116.436 3.232 1
1 684 . 8 1 1 A 62 62 HIS H H 62 7.487 8.270 -0.783 1
1 685 . 8 1 1 A 62 62 HIS HA H 62 4.130 4.242 -0.112 1
1 690 . 8 1 1 A 62 62 HIS CA C 62 57.531 59.792 -2.261 1
1 691 . 8 1 1 A 62 62 HIS CB C 62 28.134 29.520 -1.386 1
1 694 . 8 1 1 A 62 62 HIS N N 62 121.475 119.350 2.125 1
1 695 . 8 1 1 A 63 63 ILE H H 63 7.747 8.518 -0.772 1
1 696 . 8 1 1 A 63 63 ILE HA H 63 3.297 3.465 -0.168 1
1 706 . 8 1 1 A 63 63 ILE CA C 63 60.408 65.516 -5.108 1
1 707 . 8 1 1 A 63 63 ILE CB C 63 33.437 37.826 -4.389 1
1 710 . 8 1 1 A 63 63 ILE N N 63 116.455 119.902 -3.447 1
1 711 . 8 1 1 A 64 64 HIS H H 64 7.703 8.364 -0.661 1
1 712 . 8 1 1 A 64 64 HIS HA H 64 3.983 4.100 -0.117 1
1 718 . 8 1 1 A 64 64 HIS CA C 64 57.832 60.107 -2.275 1
1 719 . 8 1 1 A 64 64 HIS CB C 64 27.382 29.645 -2.263 1
1 722 . 8 1 1 A 64 64 HIS N N 64 118.476 119.257 -0.781 1
1 723 . 8 1 1 A 65 65 ARG H H 65 7.501 8.440 -0.939 1
1 724 . 8 1 1 A 65 65 ARG HA H 65 3.789 3.971 -0.182 1
1 731 . 8 1 1 A 65 65 ARG CA C 65 56.966 59.838 -2.872 1
1 732 . 8 1 1 A 65 65 ARG CB C 65 27.194 29.997 -2.803 1
1 735 . 8 1 1 A 65 65 ARG N N 65 119.155 117.677 1.478 1
1 736 . 8 1 1 A 66 66 LEU H H 66 7.708 8.649 -0.941 1
1 737 . 8 1 1 A 66 66 LEU HA H 66 3.791 3.815 -0.024 1
1 747 . 8 1 1 A 66 66 LEU CA C 66 54.143 57.635 -3.492 1
1 748 . 8 1 1 A 66 66 LEU CB C 66 39.688 41.543 -1.855 1
1 752 . 8 1 1 A 66 66 LEU N N 66 118.791 119.999 -1.208 1
1 753 . 8 1 1 A 67 67 LYS H H 67 7.573 7.512 0.061 1
1 754 . 8 1 1 A 67 67 LYS HA H 67 3.358 4.211 -0.853 1
1 761 . 8 1 1 A 67 67 LYS CA C 67 55.255 58.489 -3.234 1
1 762 . 8 1 1 A 67 67 LYS CB C 67 30.352 32.713 -2.361 1
1 766 . 8 1 1 A 67 67 LYS N N 67 118.232 116.764 1.468 1
1 767 . 8 1 1 A 68 68 HIS H H 68 7.398 8.334 -0.936 1
1 768 . 8 1 1 A 68 68 HIS HA H 68 4.287 4.792 -0.505 1
1 774 . 8 1 1 A 68 68 HIS CA C 68 53.438 54.836 -1.398 1
1 775 . 8 1 1 A 68 68 HIS CB C 68 27.156 31.407 -4.251 1
1 778 . 8 1 1 A 68 68 HIS N N 68 116.826 113.601 3.225 1
1 17 . 9 1 1 A 6 6 GLN H H 6 8.338 8.509 -0.171 1
1 18 . 9 1 1 A 6 6 GLN HA H 6 4.087 4.158 -0.072 1
1 23 . 9 1 1 A 6 6 GLN CA C 6 54.294 58.329 -4.035 1
1 24 . 9 1 1 A 6 6 GLN CB C 6 25.937 28.548 -2.611 1
1 26 . 9 1 1 A 7 7 GLN H H 7 8.102 8.136 -0.034 1
1 27 . 9 1 1 A 7 7 GLN HA H 7 4.022 4.216 -0.194 1
1 33 . 9 1 1 A 7 7 GLN CA C 7 54.971 58.776 -3.805 1
1 34 . 9 1 1 A 7 7 GLN CB C 7 26.139 28.237 -2.098 1
1 36 . 9 1 1 A 7 7 GLN N N 7 121.077 119.958 1.119 1
1 38 . 9 1 1 A 8 8 ILE H H 8 7.931 7.986 -0.055 1
1 39 . 9 1 1 A 8 8 ILE HA H 8 3.707 3.870 -0.163 1
1 49 . 9 1 1 A 8 8 ILE CA C 8 60.313 65.261 -4.948 1
1 50 . 9 1 1 A 8 8 ILE CB C 8 35.549 37.607 -2.058 1
1 54 . 9 1 1 A 8 8 ILE N N 8 121.658 119.204 2.454 1
1 55 . 9 1 1 A 9 9 ALA H H 9 8.066 7.623 0.443 1
1 56 . 9 1 1 A 9 9 ALA HA H 9 4.154 4.500 -0.346 1
1 60 . 9 1 1 A 9 9 ALA CA C 9 51.535 53.492 -1.956 1
1 61 . 9 1 1 A 9 9 ALA CB C 9 16.982 20.161 -3.179 1
1 62 . 9 1 1 A 9 9 ALA N N 9 125.451 122.514 2.937 1
1 63 . 9 1 1 A 10 10 THR H H 10 8.341 8.277 0.064 1
1 64 . 9 1 1 A 10 10 THR HA H 10 4.080 4.152 -0.072 1
1 69 . 9 1 1 A 10 10 THR CA C 10 60.938 64.916 -3.978 1
1 70 . 9 1 1 A 10 10 THR CB C 10 67.814 68.501 -0.687 1
1 72 . 9 1 1 A 10 10 THR N N 10 113.598 111.568 2.030 1
1 73 . 9 1 1 A 11 11 ALA H H 11 8.169 8.214 -0.045 1
1 74 . 9 1 1 A 11 11 ALA HA H 11 3.978 4.089 -0.111 1
1 78 . 9 1 1 A 11 11 ALA CA C 11 52.638 55.575 -2.937 1
1 79 . 9 1 1 A 11 11 ALA CB C 11 15.450 18.445 -2.995 1
1 80 . 9 1 1 A 12 12 LYS H H 12 8.742 8.072 0.670 1
1 81 . 9 1 1 A 12 12 LYS HA H 12 3.433 3.875 -0.442 1
1 89 . 9 1 1 A 12 12 LYS CA C 12 57.832 59.817 -1.985 1
1 90 . 9 1 1 A 12 12 LYS CB C 12 29.978 32.549 -2.571 1
1 93 . 9 1 1 A 12 12 LYS N N 12 121.423 118.715 2.708 1
1 94 . 9 1 1 A 13 13 ASP H H 13 7.689 8.831 -1.143 1
1 95 . 9 1 1 A 13 13 ASP HA H 13 4.026 4.330 -0.304 1
1 98 . 9 1 1 A 13 13 ASP CA C 13 54.896 57.606 -2.710 1
1 99 . 9 1 1 A 13 13 ASP CB C 13 37.904 41.974 -4.071 1
1 100 . 9 1 1 A 13 13 ASP N N 13 119.535 119.566 -0.031 1
1 101 . 9 1 1 A 14 14 LYS H H 14 7.806 8.272 -0.467 1
1 102 . 9 1 1 A 14 14 LYS HA H 14 3.803 4.248 -0.445 1
1 105 . 9 1 1 A 14 14 LYS CA C 14 56.563 59.009 -2.446 1
1 106 . 9 1 1 A 14 14 LYS N N 14 117.395 119.832 -2.437 1
1 107 . 9 1 1 A 15 15 TYR H H 15 7.867 8.488 -0.621 1
1 108 . 9 1 1 A 15 15 TYR HA H 15 4.038 4.138 -0.099 1
1 115 . 9 1 1 A 15 15 TYR CA C 15 58.284 61.645 -3.361 1
1 116 . 9 1 1 A 15 15 TYR CB C 15 35.361 38.609 -3.248 1
1 119 . 9 1 1 A 15 15 TYR N N 15 120.763 121.337 -0.574 1
1 120 . 9 1 1 A 16 16 GLU H H 16 8.575 8.925 -0.350 1
1 121 . 9 1 1 A 16 16 GLU HA H 16 3.178 3.838 -0.660 1
1 126 . 9 1 1 A 16 16 GLU CA C 16 58.622 59.035 -0.413 1
1 127 . 9 1 1 A 16 16 GLU CB C 16 26.562 29.033 -2.471 1
1 129 . 9 1 1 A 16 16 GLU N N 16 119.244 117.220 2.024 1
1 130 . 9 1 1 A 17 17 TRP H H 17 8.082 7.826 0.256 1
1 131 . 9 1 1 A 17 17 TRP HA H 17 4.124 4.739 -0.615 1
1 140 . 9 1 1 A 17 17 TRP CA C 17 57.229 61.040 -3.811 1
1 141 . 9 1 1 A 17 17 TRP CB C 17 25.612 29.718 -4.106 1
1 147 . 9 1 1 A 17 17 TRP N N 17 120.589 123.223 -2.634 1
1 149 . 9 1 1 A 18 18 LEU H H 18 7.619 8.546 -0.927 1
1 150 . 9 1 1 A 18 18 LEU HA H 18 3.553 3.013 0.540 1
1 160 . 9 1 1 A 18 18 LEU CA C 18 55.837 57.757 -1.920 1
1 161 . 9 1 1 A 18 18 LEU CB C 18 38.786 41.458 -2.672 1
1 165 . 9 1 1 A 18 18 LEU N N 18 122.925 120.016 2.909 1
1 166 . 9 1 1 A 19 19 VAL H H 19 8.069 7.975 0.094 1
1 167 . 9 1 1 A 19 19 VAL HA H 19 3.060 3.441 -0.381 1
1 175 . 9 1 1 A 19 19 VAL CA C 19 64.268 66.633 -2.365 1
1 176 . 9 1 1 A 19 19 VAL CB C 19 28.849 31.131 -2.282 1
1 179 . 9 1 1 A 19 19 VAL N N 19 118.738 118.351 0.387 1
1 180 . 9 1 1 A 20 20 SER H H 20 7.380 7.672 -0.292 1
1 181 . 9 1 1 A 20 20 SER HA H 20 3.569 4.402 -0.833 1
1 184 . 9 1 1 A 20 20 SER CA C 20 59.063 60.506 -1.443 1
1 185 . 9 1 1 A 20 20 SER CB C 20 60.354 62.920 -2.566 1
1 186 . 9 1 1 A 20 20 SER N N 20 111.215 113.446 -2.231 1
1 187 . 9 1 1 A 21 21 ARG H H 21 7.290 8.443 -1.153 1
1 188 . 9 1 1 A 21 21 ARG HA H 21 3.860 4.144 -0.284 1
1 195 . 9 1 1 A 21 21 ARG CA C 21 55.197 58.224 -3.027 1
1 196 . 9 1 1 A 21 21 ARG CB C 21 28.021 29.273 -1.252 1
1 199 . 9 1 1 A 21 21 ARG N N 21 119.898 122.060 -2.162 1
1 200 . 9 1 1 A 22 22 ILE H H 22 7.695 7.201 0.494 1
1 201 . 9 1 1 A 22 22 ILE HA H 22 3.900 4.044 -0.144 1
1 211 . 9 1 1 A 22 22 ILE CA C 22 59.337 62.921 -3.584 1
1 212 . 9 1 1 A 22 22 ILE CB C 22 36.562 39.068 -2.506 1
1 216 . 9 1 1 A 22 22 ILE N N 22 116.745 119.115 -2.370 1
1 217 . 9 1 1 A 23 23 VAL H H 23 7.969 8.332 -0.363 1
1 218 . 9 1 1 A 23 23 VAL HA H 23 3.887 4.306 -0.419 1
1 226 . 9 1 1 A 23 23 VAL CA C 23 60.956 62.685 -1.729 1
1 227 . 9 1 1 A 23 23 VAL CB C 23 28.307 30.736 -2.429 1
1 230 . 9 1 1 A 23 23 VAL N N 23 122.152 119.854 2.298 1
1 231 . 9 1 1 A 24 24 LYS H H 24 9.007 8.402 0.605 1
1 232 . 9 1 1 A 24 24 LYS HA H 24 4.285 4.433 -0.148 1
1 239 . 9 1 1 A 24 24 LYS CA C 24 52.838 58.286 -5.448 1
1 240 . 9 1 1 A 24 24 LYS CB C 24 30.937 33.351 -2.414 1
1 244 . 9 1 1 A 24 24 LYS N N 24 127.138 128.808 -1.670 1
1 245 . 9 1 1 A 25 25 ASN H H 25 7.936 7.893 0.043 1
1 246 . 9 1 1 A 25 25 ASN HA H 25 4.727 4.556 0.171 1
1 251 . 9 1 1 A 25 25 ASN CA C 25 49.688 52.054 -2.366 1
1 252 . 9 1 1 A 25 25 ASN CB C 25 38.574 37.412 1.162 1
1 253 . 9 1 1 A 25 25 ASN N N 25 116.900 113.753 3.147 1
1 255 . 9 1 1 A 26 26 HIS H H 26 8.035 8.153 -0.118 1
1 256 . 9 1 1 A 26 26 HIS HA H 26 4.096 4.223 -0.127 1
1 262 . 9 1 1 A 26 26 HIS CA C 26 54.755 57.272 -2.518 1
1 263 . 9 1 1 A 26 26 HIS CB C 26 27.832 27.535 0.297 1
1 266 . 9 1 1 A 26 26 HIS N N 26 117.740 117.989 -0.249 1
1 267 . 9 1 1 A 27 27 ASN H H 27 7.949 8.276 -0.327 1
1 268 . 9 1 1 A 27 27 ASN HA H 27 4.537 4.865 -0.329 1
1 273 . 9 1 1 A 27 27 ASN CA C 27 50.304 52.847 -2.543 1
1 274 . 9 1 1 A 27 27 ASN CB C 27 35.850 38.441 -2.591 1
1 275 . 9 1 1 A 27 27 ASN N N 27 117.497 117.677 -0.180 1
1 277 . 9 1 1 A 28 28 GLU H H 28 7.020 8.049 -1.029 1
1 278 . 9 1 1 A 28 28 GLU HA H 28 4.171 4.887 -0.716 1
1 283 . 9 1 1 A 28 28 GLU CA C 28 54.971 54.898 0.073 1
1 284 . 9 1 1 A 28 28 GLU CB C 28 28.398 32.853 -4.455 1
1 286 . 9 1 1 A 28 28 GLU N N 28 120.910 117.140 3.770 1
1 287 . 9 1 1 A 29 29 ASN H H 29 8.539 8.769 -0.230 1
1 288 . 9 1 1 A 29 29 ASN HA H 29 5.055 5.274 -0.219 1
1 293 . 9 1 1 A 29 29 ASN CA C 29 49.375 51.906 -2.531 1
1 294 . 9 1 1 A 29 29 ASN CB C 29 38.824 40.288 -1.464 1
1 295 . 9 1 1 A 29 29 ASN N N 29 118.857 118.412 0.445 1
1 297 . 9 1 1 A 30 30 TRP H H 30 9.219 9.092 0.127 1
1 298 . 9 1 1 A 30 30 TRP HA H 30 3.637 3.077 0.560 1
1 307 . 9 1 1 A 30 30 TRP CA C 30 55.988 61.013 -5.025 1
1 308 . 9 1 1 A 30 30 TRP CB C 30 27.757 29.757 -2.000 1
1 314 . 9 1 1 A 30 30 TRP N N 30 122.308 127.155 -4.847 1
1 316 . 9 1 1 A 31 31 LEU H H 31 8.329 8.539 -0.210 1
1 317 . 9 1 1 A 31 31 LEU HA H 31 3.302 3.243 0.059 1
1 327 . 9 1 1 A 31 31 LEU CA C 31 55.874 57.866 -1.992 1
1 328 . 9 1 1 A 31 31 LEU CB C 31 38.372 41.785 -3.413 1
1 332 . 9 1 1 A 31 31 LEU N N 31 120.479 119.855 0.624 1
1 333 . 9 1 1 A 32 32 SER H H 32 7.521 7.952 -0.431 1
1 334 . 9 1 1 A 32 32 SER HA H 32 3.893 3.997 -0.103 1
1 337 . 9 1 1 A 32 32 SER CA C 32 58.245 62.467 -4.222 1
1 338 . 9 1 1 A 32 32 SER CB C 32 60.316 62.903 -2.587 1
1 339 . 9 1 1 A 32 32 SER N N 32 112.204 113.797 -1.593 1
1 340 . 9 1 1 A 33 33 VAL H H 33 7.873 7.613 0.261 1
1 341 . 9 1 1 A 33 33 VAL HA H 33 3.293 3.466 -0.173 1
1 349 . 9 1 1 A 33 33 VAL CA C 33 63.629 66.270 -2.641 1
1 350 . 9 1 1 A 33 33 VAL CB C 33 29.000 31.276 -2.276 1
1 353 . 9 1 1 A 33 33 VAL N N 33 121.321 121.825 -0.504 1
1 354 . 9 1 1 A 34 34 SER H H 34 8.213 7.878 0.336 1
1 355 . 9 1 1 A 34 34 SER HA H 34 2.777 3.509 -0.732 1
1 358 . 9 1 1 A 34 34 SER CA C 34 59.063 60.547 -1.484 1
1 359 . 9 1 1 A 34 34 SER CB C 34 58.438 62.458 -4.020 1
1 360 . 9 1 1 A 34 34 SER N N 34 116.084 115.431 0.653 1
1 361 . 9 1 1 A 35 35 ARG H H 35 6.651 7.486 -0.835 1
1 362 . 9 1 1 A 35 35 ARG HA H 35 3.649 3.850 -0.201 1
1 367 . 9 1 1 A 35 35 ARG CA C 35 56.778 59.196 -2.418 1
1 368 . 9 1 1 A 35 35 ARG CB C 35 26.892 30.071 -3.179 1
1 371 . 9 1 1 A 35 35 ARG N N 35 120.706 121.362 -0.656 1
1 372 . 9 1 1 A 36 36 LYS H H 36 7.074 7.863 -0.789 1
1 373 . 9 1 1 A 36 36 LYS HA H 36 3.840 3.888 -0.048 1
1 380 . 9 1 1 A 36 36 LYS CA C 36 56.288 59.206 -2.918 1
1 381 . 9 1 1 A 36 36 LYS CB C 36 30.091 32.150 -2.059 1
1 385 . 9 1 1 A 36 36 LYS N N 36 118.246 119.421 -1.175 1
1 386 . 9 1 1 A 37 37 MET H H 37 7.362 9.168 -1.806 1
1 387 . 9 1 1 A 37 37 MET HA H 37 3.958 3.943 0.015 1
1 395 . 9 1 1 A 37 37 MET CA C 37 54.972 58.560 -3.588 1
1 396 . 9 1 1 A 37 37 MET CB C 37 31.521 31.715 -0.194 1
1 398 . 9 1 1 A 37 37 MET N N 37 116.022 118.045 -2.023 1
1 399 . 9 1 1 A 38 38 GLN H H 38 6.836 8.182 -1.346 1
1 400 . 9 1 1 A 38 38 GLN HA H 38 3.455 3.960 -0.505 1
1 406 . 9 1 1 A 38 38 GLN CA C 38 55.938 57.490 -1.552 1
1 407 . 9 1 1 A 38 38 GLN CB C 38 25.312 27.698 -2.386 1
1 409 . 9 1 1 A 38 38 GLN N N 38 116.745 116.949 -0.204 1
1 411 . 9 1 1 A 39 39 ALA H H 39 7.636 7.405 0.231 1
1 412 . 9 1 1 A 39 39 ALA HA H 39 4.210 4.216 -0.006 1
1 416 . 9 1 1 A 39 39 ALA CA C 39 50.313 52.765 -2.452 1
1 417 . 9 1 1 A 39 39 ALA CB C 39 16.278 18.227 -1.949 1
1 418 . 9 1 1 A 39 39 ALA N N 39 118.576 121.706 -3.130 1
1 419 . 9 1 1 A 40 40 SER H H 40 8.246 7.514 0.732 1
1 420 . 9 1 1 A 40 40 SER HA H 40 4.681 4.944 -0.263 1
1 423 . 9 1 1 A 40 40 SER CA C 40 55.122 55.283 -0.161 1
1 424 . 9 1 1 A 40 40 SER CB C 40 60.938 65.294 -4.356 1
1 425 . 9 1 1 A 40 40 SER N N 40 119.184 114.235 4.949 1
1 426 . 9 1 1 A 41 41 PRO HA H 41 4.083 4.343 -0.260 1
1 432 . 9 1 1 A 41 41 PRO CA C 41 62.800 65.344 -2.544 1
1 434 . 9 1 1 A 42 42 GLU H H 42 9.832 8.453 1.379 1
1 435 . 9 1 1 A 42 42 GLU HA H 42 3.961 5.008 -1.047 1
1 440 . 9 1 1 A 42 42 GLU CA C 42 57.832 59.637 -1.805 1
1 441 . 9 1 1 A 42 42 GLU CB C 42 27.812 29.303 -1.491 1
1 443 . 9 1 1 A 42 42 GLU N N 42 115.590 117.986 -2.396 1
1 444 . 9 1 1 A 43 43 TYR H H 43 7.138 8.360 -1.222 1
1 445 . 9 1 1 A 43 43 TYR HA H 43 4.192 4.600 -0.408 1
1 452 . 9 1 1 A 43 43 TYR CA C 43 58.438 61.874 -3.436 1
1 453 . 9 1 1 A 43 43 TYR CB C 43 37.812 38.773 -0.961 1
1 456 . 9 1 1 A 43 43 TYR N N 43 118.651 121.728 -3.077 1
1 457 . 9 1 1 A 44 44 GLN H H 44 7.832 8.163 -0.331 1
1 458 . 9 1 1 A 44 44 GLN HA H 44 3.506 3.785 -0.279 1
1 465 . 9 1 1 A 44 44 GLN CA C 44 56.110 59.090 -2.980 1
1 466 . 9 1 1 A 44 44 GLN CB C 44 25.161 28.509 -3.348 1
1 468 . 9 1 1 A 44 44 GLN N N 44 117.515 118.468 -0.953 1
1 470 . 9 1 1 A 45 45 ASP H H 45 8.967 9.246 -0.279 1
1 471 . 9 1 1 A 45 45 ASP HA H 45 4.224 4.426 -0.202 1
1 474 . 9 1 1 A 45 45 ASP CA C 45 54.407 56.796 -2.389 1
1 475 . 9 1 1 A 45 45 ASP CB C 45 37.694 40.226 -2.532 1
1 476 . 9 1 1 A 45 45 ASP N N 45 118.351 118.845 -0.494 1
1 477 . 9 1 1 A 46 46 TYR H H 46 6.841 7.788 -0.947 1
1 478 . 9 1 1 A 46 46 TYR HA H 46 3.775 4.170 -0.395 1
1 485 . 9 1 1 A 46 46 TYR CA C 46 60.316 61.045 -0.729 1
1 486 . 9 1 1 A 46 46 TYR CB C 46 36.452 38.258 -1.806 1
1 489 . 9 1 1 A 46 46 TYR N N 46 118.500 121.119 -2.619 1
1 490 . 9 1 1 A 47 47 VAL H H 47 8.125 7.807 0.318 1
1 491 . 9 1 1 A 47 47 VAL HA H 47 2.823 3.401 -0.578 1
1 499 . 9 1 1 A 47 47 VAL CA C 47 63.553 65.653 -2.100 1
1 500 . 9 1 1 A 47 47 VAL CB C 47 27.812 30.793 -2.981 1
1 503 . 9 1 1 A 47 47 VAL N N 47 117.616 119.555 -1.939 1
1 504 . 9 1 1 A 48 48 TYR H H 48 7.857 8.242 -0.385 1
1 505 . 9 1 1 A 48 48 TYR HA H 48 3.869 4.174 -0.305 1
1 512 . 9 1 1 A 48 48 TYR CA C 48 58.622 61.205 -2.583 1
1 513 . 9 1 1 A 48 48 TYR CB C 48 35.775 38.699 -2.924 1
1 516 . 9 1 1 A 48 48 TYR N N 48 121.176 121.966 -0.790 1
1 517 . 9 1 1 A 49 49 LEU H H 49 6.926 8.356 -1.430 1
1 518 . 9 1 1 A 49 49 LEU HA H 49 3.776 3.602 0.173 1
1 528 . 9 1 1 A 49 49 LEU CA C 49 54.688 58.195 -3.507 1
1 529 . 9 1 1 A 49 49 LEU CB C 49 40.938 41.439 -0.501 1
1 533 . 9 1 1 A 49 49 LEU N N 49 116.307 120.065 -3.758 1
1 534 . 9 1 1 A 50 50 GLU H H 50 7.894 7.688 0.206 1
1 535 . 9 1 1 A 50 50 GLU HA H 50 4.212 4.037 0.175 1
1 540 . 9 1 1 A 50 50 GLU CA C 50 53.616 57.913 -4.297 1
1 541 . 9 1 1 A 50 50 GLU CB C 50 28.924 29.201 -0.277 1
1 543 . 9 1 1 A 50 50 GLU N N 50 114.774 116.187 -1.413 1
1 544 . 9 1 1 A 51 51 GLY H H 51 7.768 7.036 0.732 1
1 545 . 9 1 1 A 51 51 GLY HA2 H 51 4.168 3.981 0.187 1
1 546 . 9 1 1 A 51 51 GLY HA3 H 51 3.770 3.993 -0.223 1
1 547 . 9 1 1 A 51 51 GLY CA C 51 42.188 45.193 -3.005 1
1 548 . 9 1 1 A 51 51 GLY N N 51 109.724 103.688 6.036 1
1 549 . 9 1 1 A 52 52 THR H H 52 8.230 8.826 -0.596 1
1 550 . 9 1 1 A 52 52 THR HA H 52 3.687 4.117 -0.430 1
1 555 . 9 1 1 A 52 52 THR CA C 52 62.813 65.909 -3.096 1
1 556 . 9 1 1 A 52 52 THR CB C 52 66.564 68.893 -2.329 1
1 558 . 9 1 1 A 52 52 THR N N 52 111.611 113.999 -2.388 1
1 559 . 9 1 1 A 53 53 GLN H H 53 8.342 8.590 -0.248 1
1 560 . 9 1 1 A 53 53 GLN HA H 53 3.784 4.028 -0.244 1
1 566 . 9 1 1 A 53 53 GLN CA C 53 57.117 58.447 -1.330 1
1 567 . 9 1 1 A 53 53 GLN CB C 53 24.521 27.732 -3.211 1
1 569 . 9 1 1 A 53 53 GLN N N 53 122.288 119.508 2.780 1
1 571 . 9 1 1 A 54 54 LYS H H 54 8.236 7.969 0.267 1
1 572 . 9 1 1 A 54 54 LYS HA H 54 3.784 4.012 -0.228 1
1 579 . 9 1 1 A 54 54 LYS CA C 54 57.230 59.306 -2.076 1
1 580 . 9 1 1 A 54 54 LYS CB C 54 28.437 32.380 -3.943 1
1 584 . 9 1 1 A 54 54 LYS N N 54 121.397 118.928 2.469 1
1 585 . 9 1 1 A 55 55 ALA H H 55 7.207 8.271 -1.065 1
1 586 . 9 1 1 A 55 55 ALA HA H 55 3.893 4.107 -0.214 1
1 590 . 9 1 1 A 55 55 ALA CA C 55 49.063 55.103 -6.040 1
1 591 . 9 1 1 A 55 55 ALA CB C 55 16.562 18.651 -2.089 1
1 592 . 9 1 1 A 55 55 ALA N N 55 121.624 122.238 -0.614 1
1 593 . 9 1 1 A 56 56 LYS H H 56 8.199 8.605 -0.406 1
1 594 . 9 1 1 A 56 56 LYS HA H 56 2.316 2.314 0.002 1
1 602 . 9 1 1 A 56 56 LYS CA C 56 56.514 59.534 -3.020 1
1 603 . 9 1 1 A 56 56 LYS CB C 56 29.527 32.094 -2.567 1
1 607 . 9 1 1 A 56 56 LYS N N 56 124.153 117.114 7.039 1
1 608 . 9 1 1 A 57 57 LYS H H 57 7.801 7.777 0.024 1
1 609 . 9 1 1 A 57 57 LYS HA H 57 3.696 3.993 -0.297 1
1 616 . 9 1 1 A 57 57 LYS CA C 57 57.305 59.239 -1.934 1
1 617 . 9 1 1 A 57 57 LYS CB C 57 29.790 32.228 -2.438 1
1 621 . 9 1 1 A 57 57 LYS N N 57 120.226 117.473 2.753 1
1 622 . 9 1 1 A 58 58 LEU H H 58 7.748 8.113 -0.364 1
1 623 . 9 1 1 A 58 58 LEU HA H 58 4.014 4.027 -0.013 1
1 633 . 9 1 1 A 58 58 LEU CA C 58 55.912 57.679 -1.767 1
1 634 . 9 1 1 A 58 58 LEU CB C 58 39.313 42.015 -2.702 1
1 638 . 9 1 1 A 58 58 LEU N N 58 118.589 121.379 -2.790 1
1 639 . 9 1 1 A 59 59 PHE H H 59 7.587 8.658 -1.071 1
1 640 . 9 1 1 A 59 59 PHE HA H 59 4.181 4.147 0.034 1
1 648 . 9 1 1 A 59 59 PHE CA C 59 59.036 61.416 -2.380 1
1 649 . 9 1 1 A 59 59 PHE CB C 59 36.340 38.931 -2.591 1
1 653 . 9 1 1 A 59 59 PHE N N 59 122.478 119.250 3.228 1
1 654 . 9 1 1 A 60 60 LEU H H 60 8.576 8.717 -0.141 1
1 655 . 9 1 1 A 60 60 LEU HA H 60 3.528 3.619 -0.091 1
1 665 . 9 1 1 A 60 60 LEU CA C 60 55.084 58.146 -3.062 1
1 666 . 9 1 1 A 60 60 LEU CB C 60 38.259 41.650 -3.391 1
1 670 . 9 1 1 A 60 60 LEU N N 60 120.969 119.579 1.390 1
1 671 . 9 1 1 A 61 61 GLN H H 61 7.956 8.940 -0.984 1
1 672 . 9 1 1 A 61 61 GLN HA H 61 3.892 4.035 -0.143 1
1 679 . 9 1 1 A 61 61 GLN CA C 61 56.326 58.109 -1.783 1
1 680 . 9 1 1 A 61 61 GLN CB C 61 25.581 28.310 -2.729 1
1 682 . 9 1 1 A 61 61 GLN N N 61 119.668 117.248 2.420 1
1 684 . 9 1 1 A 62 62 HIS H H 62 7.487 7.976 -0.489 1
1 685 . 9 1 1 A 62 62 HIS HA H 62 4.130 4.306 -0.176 1
1 690 . 9 1 1 A 62 62 HIS CA C 62 57.531 59.613 -2.082 1
1 691 . 9 1 1 A 62 62 HIS CB C 62 28.134 30.134 -2.000 1
1 694 . 9 1 1 A 62 62 HIS N N 62 121.475 119.637 1.838 1
1 695 . 9 1 1 A 63 63 ILE H H 63 7.747 8.353 -0.607 1
1 696 . 9 1 1 A 63 63 ILE HA H 63 3.297 3.424 -0.127 1
1 706 . 9 1 1 A 63 63 ILE CA C 63 60.408 65.513 -5.105 1
1 707 . 9 1 1 A 63 63 ILE CB C 63 33.437 37.856 -4.419 1
1 710 . 9 1 1 A 63 63 ILE N N 63 116.455 120.260 -3.805 1
1 711 . 9 1 1 A 64 64 HIS H H 64 7.703 8.427 -0.724 1
1 712 . 9 1 1 A 64 64 HIS HA H 64 3.983 4.036 -0.053 1
1 718 . 9 1 1 A 64 64 HIS CA C 64 57.832 60.188 -2.356 1
1 719 . 9 1 1 A 64 64 HIS CB C 64 27.382 29.454 -2.072 1
1 722 . 9 1 1 A 64 64 HIS N N 64 118.476 118.867 -0.391 1
1 723 . 9 1 1 A 65 65 ARG H H 65 7.501 8.426 -0.925 1
1 724 . 9 1 1 A 65 65 ARG HA H 65 3.789 3.930 -0.141 1
1 731 . 9 1 1 A 65 65 ARG CA C 65 56.966 59.784 -2.818 1
1 732 . 9 1 1 A 65 65 ARG CB C 65 27.194 29.923 -2.729 1
1 735 . 9 1 1 A 65 65 ARG N N 65 119.155 117.973 1.182 1
1 736 . 9 1 1 A 66 66 LEU H H 66 7.708 8.600 -0.892 1
1 737 . 9 1 1 A 66 66 LEU HA H 66 3.791 3.822 -0.031 1
1 747 . 9 1 1 A 66 66 LEU CA C 66 54.143 57.587 -3.444 1
1 748 . 9 1 1 A 66 66 LEU CB C 66 39.688 41.541 -1.853 1
1 752 . 9 1 1 A 66 66 LEU N N 66 118.791 120.209 -1.418 1
1 753 . 9 1 1 A 67 67 LYS H H 67 7.573 8.156 -0.583 1
1 754 . 9 1 1 A 67 67 LYS HA H 67 3.358 4.212 -0.854 1
1 761 . 9 1 1 A 67 67 LYS CA C 67 55.255 59.067 -3.812 1
1 762 . 9 1 1 A 67 67 LYS CB C 67 30.352 32.406 -2.054 1
1 766 . 9 1 1 A 67 67 LYS N N 67 118.232 117.080 1.152 1
1 767 . 9 1 1 A 68 68 HIS H H 68 7.398 8.581 -1.183 1
1 768 . 9 1 1 A 68 68 HIS HA H 68 4.287 4.772 -0.485 1
1 774 . 9 1 1 A 68 68 HIS CA C 68 53.438 54.754 -1.316 1
1 775 . 9 1 1 A 68 68 HIS CB C 68 27.156 30.698 -3.542 1
1 778 . 9 1 1 A 68 68 HIS N N 68 116.826 113.040 3.786 1
1 17 . 10 1 1 A 6 6 GLN H H 6 8.338 8.806 -0.468 1
1 18 . 10 1 1 A 6 6 GLN HA H 6 4.087 3.935 0.151 1
1 23 . 10 1 1 A 6 6 GLN CA C 6 54.294 58.463 -4.169 1
1 24 . 10 1 1 A 6 6 GLN CB C 6 25.937 26.492 -0.555 1
1 26 . 10 1 1 A 7 7 GLN H H 7 8.102 8.845 -0.743 1
1 27 . 10 1 1 A 7 7 GLN HA H 7 4.022 4.185 -0.163 1
1 33 . 10 1 1 A 7 7 GLN CA C 7 54.971 58.652 -3.681 1
1 34 . 10 1 1 A 7 7 GLN CB C 7 26.139 28.452 -2.313 1
1 36 . 10 1 1 A 7 7 GLN N N 7 121.077 119.307 1.770 1
1 38 . 10 1 1 A 8 8 ILE H H 8 7.931 7.979 -0.048 1
1 39 . 10 1 1 A 8 8 ILE HA H 8 3.707 3.884 -0.177 1
1 49 . 10 1 1 A 8 8 ILE CA C 8 60.313 65.251 -4.938 1
1 50 . 10 1 1 A 8 8 ILE CB C 8 35.549 37.566 -2.017 1
1 54 . 10 1 1 A 8 8 ILE N N 8 121.658 119.424 2.234 1
1 55 . 10 1 1 A 9 9 ALA H H 9 8.066 7.718 0.348 1
1 56 . 10 1 1 A 9 9 ALA HA H 9 4.154 4.438 -0.284 1
1 60 . 10 1 1 A 9 9 ALA CA C 9 51.535 53.941 -2.405 1
1 61 . 10 1 1 A 9 9 ALA CB C 9 16.982 19.973 -2.991 1
1 62 . 10 1 1 A 9 9 ALA N N 9 125.451 122.657 2.794 1
1 63 . 10 1 1 A 10 10 THR H H 10 8.341 8.331 0.010 1
1 64 . 10 1 1 A 10 10 THR HA H 10 4.080 4.214 -0.134 1
1 69 . 10 1 1 A 10 10 THR CA C 10 60.938 65.146 -4.208 1
1 70 . 10 1 1 A 10 10 THR CB C 10 67.814 68.232 -0.418 1
1 72 . 10 1 1 A 10 10 THR N N 10 113.598 110.660 2.938 1
1 73 . 10 1 1 A 11 11 ALA H H 11 8.169 8.176 -0.007 1
1 74 . 10 1 1 A 11 11 ALA HA H 11 3.978 4.074 -0.095 1
1 78 . 10 1 1 A 11 11 ALA CA C 11 52.638 55.671 -3.033 1
1 79 . 10 1 1 A 11 11 ALA CB C 11 15.450 18.509 -3.059 1
1 80 . 10 1 1 A 12 12 LYS H H 12 8.742 8.030 0.712 1
1 81 . 10 1 1 A 12 12 LYS HA H 12 3.433 3.581 -0.148 1
1 89 . 10 1 1 A 12 12 LYS CA C 12 57.832 59.630 -1.798 1
1 90 . 10 1 1 A 12 12 LYS CB C 12 29.978 32.310 -2.332 1
1 93 . 10 1 1 A 12 12 LYS N N 12 121.423 118.741 2.682 1
1 94 . 10 1 1 A 13 13 ASP H H 13 7.689 8.731 -1.042 1
1 95 . 10 1 1 A 13 13 ASP HA H 13 4.026 4.335 -0.309 1
1 98 . 10 1 1 A 13 13 ASP CA C 13 54.896 57.642 -2.746 1
1 99 . 10 1 1 A 13 13 ASP CB C 13 37.904 41.596 -3.692 1
1 100 . 10 1 1 A 13 13 ASP N N 13 119.535 119.503 0.032 1
1 101 . 10 1 1 A 14 14 LYS H H 14 7.806 8.250 -0.445 1
1 102 . 10 1 1 A 14 14 LYS HA H 14 3.803 4.242 -0.439 1
1 105 . 10 1 1 A 14 14 LYS CA C 14 56.563 58.966 -2.403 1
1 106 . 10 1 1 A 14 14 LYS N N 14 117.395 119.926 -2.531 1
1 107 . 10 1 1 A 15 15 TYR H H 15 7.867 8.279 -0.411 1
1 108 . 10 1 1 A 15 15 TYR HA H 15 4.038 4.175 -0.137 1
1 115 . 10 1 1 A 15 15 TYR CA C 15 58.284 61.802 -3.518 1
1 116 . 10 1 1 A 15 15 TYR CB C 15 35.361 38.537 -3.176 1
1 119 . 10 1 1 A 15 15 TYR N N 15 120.763 121.084 -0.321 1
1 120 . 10 1 1 A 16 16 GLU H H 16 8.575 8.950 -0.375 1
1 121 . 10 1 1 A 16 16 GLU HA H 16 3.178 3.979 -0.801 1
1 126 . 10 1 1 A 16 16 GLU CA C 16 58.622 59.011 -0.389 1
1 127 . 10 1 1 A 16 16 GLU CB C 16 26.562 29.274 -2.712 1
1 129 . 10 1 1 A 16 16 GLU N N 16 119.244 117.152 2.092 1
1 130 . 10 1 1 A 17 17 TRP H H 17 8.082 7.916 0.166 1
1 131 . 10 1 1 A 17 17 TRP HA H 17 4.124 4.931 -0.807 1
1 140 . 10 1 1 A 17 17 TRP CA C 17 57.229 61.041 -3.812 1
1 141 . 10 1 1 A 17 17 TRP CB C 17 25.612 29.453 -3.841 1
1 147 . 10 1 1 A 17 17 TRP N N 17 120.589 124.027 -3.438 1
1 149 . 10 1 1 A 18 18 LEU H H 18 7.619 8.495 -0.876 1
1 150 . 10 1 1 A 18 18 LEU HA H 18 3.553 3.052 0.501 1
1 160 . 10 1 1 A 18 18 LEU CA C 18 55.837 57.728 -1.891 1
1 161 . 10 1 1 A 18 18 LEU CB C 18 38.786 41.438 -2.652 1
1 165 . 10 1 1 A 18 18 LEU N N 18 122.925 120.127 2.798 1
1 166 . 10 1 1 A 19 19 VAL H H 19 8.069 7.948 0.121 1
1 167 . 10 1 1 A 19 19 VAL HA H 19 3.060 3.661 -0.601 1
1 175 . 10 1 1 A 19 19 VAL CA C 19 64.268 64.561 -0.293 1
1 176 . 10 1 1 A 19 19 VAL CB C 19 28.849 31.180 -2.331 1
1 179 . 10 1 1 A 19 19 VAL N N 19 118.738 119.235 -0.497 1
1 180 . 10 1 1 A 20 20 SER H H 20 7.380 7.462 -0.082 1
1 181 . 10 1 1 A 20 20 SER HA H 20 3.569 4.205 -0.636 1
1 184 . 10 1 1 A 20 20 SER CA C 20 59.063 60.322 -1.259 1
1 185 . 10 1 1 A 20 20 SER CB C 20 60.354 62.670 -2.316 1
1 186 . 10 1 1 A 20 20 SER N N 20 111.215 116.397 -5.182 1
1 187 . 10 1 1 A 21 21 ARG H H 21 7.290 8.798 -1.508 1
1 188 . 10 1 1 A 21 21 ARG HA H 21 3.860 4.138 -0.278 1
1 195 . 10 1 1 A 21 21 ARG CA C 21 55.197 57.908 -2.711 1
1 196 . 10 1 1 A 21 21 ARG CB C 21 28.021 28.841 -0.820 1
1 199 . 10 1 1 A 21 21 ARG N N 21 119.898 121.999 -2.101 1
1 200 . 10 1 1 A 22 22 ILE H H 22 7.695 7.068 0.627 1
1 201 . 10 1 1 A 22 22 ILE HA H 22 3.900 4.069 -0.169 1
1 211 . 10 1 1 A 22 22 ILE CA C 22 59.337 62.836 -3.499 1
1 212 . 10 1 1 A 22 22 ILE CB C 22 36.562 38.460 -1.898 1
1 216 . 10 1 1 A 22 22 ILE N N 22 116.745 119.081 -2.336 1
1 217 . 10 1 1 A 23 23 VAL H H 23 7.969 7.578 0.391 1
1 218 . 10 1 1 A 23 23 VAL HA H 23 3.887 4.196 -0.309 1
1 226 . 10 1 1 A 23 23 VAL CA C 23 60.956 63.361 -2.405 1
1 227 . 10 1 1 A 23 23 VAL CB C 23 28.307 31.160 -2.853 1
1 230 . 10 1 1 A 23 23 VAL N N 23 122.152 120.387 1.765 1
1 231 . 10 1 1 A 24 24 LYS H H 24 9.007 8.476 0.530 1
1 232 . 10 1 1 A 24 24 LYS HA H 24 4.285 4.531 -0.246 1
1 239 . 10 1 1 A 24 24 LYS CA C 24 52.838 57.492 -4.654 1
1 240 . 10 1 1 A 24 24 LYS CB C 24 30.937 33.700 -2.763 1
1 244 . 10 1 1 A 24 24 LYS N N 24 127.138 127.624 -0.486 1
1 245 . 10 1 1 A 25 25 ASN H H 25 7.936 7.867 0.069 1
1 246 . 10 1 1 A 25 25 ASN HA H 25 4.727 4.557 0.170 1
1 251 . 10 1 1 A 25 25 ASN CA C 25 49.688 51.984 -2.296 1
1 252 . 10 1 1 A 25 25 ASN CB C 25 38.574 37.278 1.296 1
1 253 . 10 1 1 A 25 25 ASN N N 25 116.900 113.133 3.767 1
1 255 . 10 1 1 A 26 26 HIS H H 26 8.035 8.168 -0.133 1
1 256 . 10 1 1 A 26 26 HIS HA H 26 4.096 4.290 -0.194 1
1 262 . 10 1 1 A 26 26 HIS CA C 26 54.755 57.365 -2.611 1
1 263 . 10 1 1 A 26 26 HIS CB C 26 27.832 27.567 0.265 1
1 266 . 10 1 1 A 26 26 HIS N N 26 117.740 118.098 -0.358 1
1 267 . 10 1 1 A 27 27 ASN H H 27 7.949 8.162 -0.213 1
1 268 . 10 1 1 A 27 27 ASN HA H 27 4.537 4.867 -0.331 1
1 273 . 10 1 1 A 27 27 ASN CA C 27 50.304 52.890 -2.586 1
1 274 . 10 1 1 A 27 27 ASN CB C 27 35.850 38.929 -3.079 1
1 275 . 10 1 1 A 27 27 ASN N N 27 117.497 117.181 0.316 1
1 277 . 10 1 1 A 28 28 GLU H H 28 7.020 8.007 -0.987 1
1 278 . 10 1 1 A 28 28 GLU HA H 28 4.171 4.846 -0.675 1
1 283 . 10 1 1 A 28 28 GLU CA C 28 54.971 54.932 0.039 1
1 284 . 10 1 1 A 28 28 GLU CB C 28 28.398 31.834 -3.436 1
1 286 . 10 1 1 A 28 28 GLU N N 28 120.910 117.703 3.207 1
1 287 . 10 1 1 A 29 29 ASN H H 29 8.539 8.572 -0.033 1
1 288 . 10 1 1 A 29 29 ASN HA H 29 5.055 5.384 -0.329 1
1 293 . 10 1 1 A 29 29 ASN CA C 29 49.375 52.093 -2.718 1
1 294 . 10 1 1 A 29 29 ASN CB C 29 38.824 41.069 -2.245 1
1 295 . 10 1 1 A 29 29 ASN N N 29 118.857 119.217 -0.360 1
1 297 . 10 1 1 A 30 30 TRP H H 30 9.219 9.090 0.129 1
1 298 . 10 1 1 A 30 30 TRP HA H 30 3.637 2.960 0.677 1
1 307 . 10 1 1 A 30 30 TRP CA C 30 55.988 60.941 -4.953 1
1 308 . 10 1 1 A 30 30 TRP CB C 30 27.757 29.790 -2.033 1
1 314 . 10 1 1 A 30 30 TRP N N 30 122.308 128.157 -5.849 1
1 316 . 10 1 1 A 31 31 LEU H H 31 8.329 8.489 -0.161 1
1 317 . 10 1 1 A 31 31 LEU HA H 31 3.302 3.262 0.040 1
1 327 . 10 1 1 A 31 31 LEU CA C 31 55.874 57.745 -1.871 1
1 328 . 10 1 1 A 31 31 LEU CB C 31 38.372 41.756 -3.384 1
1 332 . 10 1 1 A 31 31 LEU N N 31 120.479 119.827 0.652 1
1 333 . 10 1 1 A 32 32 SER H H 32 7.521 7.904 -0.384 1
1 334 . 10 1 1 A 32 32 SER HA H 32 3.893 3.990 -0.097 1
1 337 . 10 1 1 A 32 32 SER CA C 32 58.245 62.670 -4.425 1
1 338 . 10 1 1 A 32 32 SER CB C 32 60.316 62.946 -2.630 1
1 339 . 10 1 1 A 32 32 SER N N 32 112.204 113.841 -1.637 1
1 340 . 10 1 1 A 33 33 VAL H H 33 7.873 7.696 0.177 1
1 341 . 10 1 1 A 33 33 VAL HA H 33 3.293 3.773 -0.480 1
1 349 . 10 1 1 A 33 33 VAL CA C 33 63.629 65.084 -1.455 1
1 350 . 10 1 1 A 33 33 VAL CB C 33 29.000 31.267 -2.267 1
1 353 . 10 1 1 A 33 33 VAL N N 33 121.321 118.695 2.626 1
1 354 . 10 1 1 A 34 34 SER H H 34 8.213 8.018 0.195 1
1 355 . 10 1 1 A 34 34 SER HA H 34 2.777 3.820 -1.043 1
1 358 . 10 1 1 A 34 34 SER CA C 34 59.063 60.871 -1.808 1
1 359 . 10 1 1 A 34 34 SER CB C 34 58.438 62.370 -3.932 1
1 360 . 10 1 1 A 34 34 SER N N 34 116.084 117.266 -1.182 1
1 361 . 10 1 1 A 35 35 ARG H H 35 6.651 7.487 -0.836 1
1 362 . 10 1 1 A 35 35 ARG HA H 35 3.649 3.813 -0.164 1
1 367 . 10 1 1 A 35 35 ARG CA C 35 56.778 59.303 -2.525 1
1 368 . 10 1 1 A 35 35 ARG CB C 35 26.892 29.959 -3.067 1
1 371 . 10 1 1 A 35 35 ARG N N 35 120.706 121.671 -0.965 1
1 372 . 10 1 1 A 36 36 LYS H H 36 7.074 7.785 -0.711 1
1 373 . 10 1 1 A 36 36 LYS HA H 36 3.840 3.902 -0.062 1
1 380 . 10 1 1 A 36 36 LYS CA C 36 56.288 59.388 -3.100 1
1 381 . 10 1 1 A 36 36 LYS CB C 36 30.091 32.106 -2.015 1
1 385 . 10 1 1 A 36 36 LYS N N 36 118.246 119.246 -1.000 1
1 386 . 10 1 1 A 37 37 MET H H 37 7.362 8.695 -1.333 1
1 387 . 10 1 1 A 37 37 MET HA H 37 3.958 4.003 -0.046 1
1 395 . 10 1 1 A 37 37 MET CA C 37 54.972 57.960 -2.988 1
1 396 . 10 1 1 A 37 37 MET CB C 37 31.521 30.980 0.541 1
1 398 . 10 1 1 A 37 37 MET N N 37 116.022 117.788 -1.766 1
1 399 . 10 1 1 A 38 38 GLN H H 38 6.836 6.801 0.035 1
1 400 . 10 1 1 A 38 38 GLN HA H 38 3.455 3.507 -0.052 1
1 406 . 10 1 1 A 38 38 GLN CA C 38 55.938 54.224 1.714 1
1 407 . 10 1 1 A 38 38 GLN CB C 38 25.312 28.924 -3.612 1
1 409 . 10 1 1 A 38 38 GLN N N 38 116.745 117.833 -1.088 1
1 411 . 10 1 1 A 39 39 ALA H H 39 7.636 8.571 -0.935 1
1 412 . 10 1 1 A 39 39 ALA HA H 39 4.210 3.856 0.354 1
1 416 . 10 1 1 A 39 39 ALA CA C 39 50.313 53.107 -2.794 1
1 417 . 10 1 1 A 39 39 ALA CB C 39 16.278 17.792 -1.514 1
1 418 . 10 1 1 A 39 39 ALA N N 39 118.576 120.250 -1.674 1
1 419 . 10 1 1 A 40 40 SER H H 40 8.246 7.804 0.442 1
1 420 . 10 1 1 A 40 40 SER HA H 40 4.681 4.985 -0.304 1
1 423 . 10 1 1 A 40 40 SER CA C 40 55.122 55.450 -0.328 1
1 424 . 10 1 1 A 40 40 SER CB C 40 60.938 65.654 -4.716 1
1 425 . 10 1 1 A 40 40 SER N N 40 119.184 112.256 6.928 1
1 426 . 10 1 1 A 41 41 PRO HA H 41 4.083 4.312 -0.229 1
1 432 . 10 1 1 A 41 41 PRO CA C 41 62.800 65.493 -2.693 1
1 434 . 10 1 1 A 42 42 GLU H H 42 9.832 8.528 1.304 1
1 435 . 10 1 1 A 42 42 GLU HA H 42 3.961 4.267 -0.306 1
1 440 . 10 1 1 A 42 42 GLU CA C 42 57.832 59.533 -1.701 1
1 441 . 10 1 1 A 42 42 GLU CB C 42 27.812 29.485 -1.673 1
1 443 . 10 1 1 A 42 42 GLU N N 42 115.590 118.095 -2.505 1
1 444 . 10 1 1 A 43 43 TYR H H 43 7.138 8.348 -1.210 1
1 445 . 10 1 1 A 43 43 TYR HA H 43 4.192 4.694 -0.502 1
1 452 . 10 1 1 A 43 43 TYR CA C 43 58.438 61.800 -3.362 1
1 453 . 10 1 1 A 43 43 TYR CB C 43 37.812 38.643 -0.831 1
1 456 . 10 1 1 A 43 43 TYR N N 43 118.651 121.622 -2.971 1
1 457 . 10 1 1 A 44 44 GLN H H 44 7.832 8.661 -0.829 1
1 458 . 10 1 1 A 44 44 GLN HA H 44 3.506 3.994 -0.488 1
1 465 . 10 1 1 A 44 44 GLN CA C 44 56.110 59.027 -2.917 1
1 466 . 10 1 1 A 44 44 GLN CB C 44 25.161 28.658 -3.497 1
1 468 . 10 1 1 A 44 44 GLN N N 44 117.515 118.954 -1.439 1
1 470 . 10 1 1 A 45 45 ASP H H 45 8.967 8.274 0.694 1
1 471 . 10 1 1 A 45 45 ASP HA H 45 4.224 4.381 -0.157 1
1 474 . 10 1 1 A 45 45 ASP CA C 45 54.407 57.161 -2.754 1
1 475 . 10 1 1 A 45 45 ASP CB C 45 37.694 41.349 -3.655 1
1 476 . 10 1 1 A 45 45 ASP N N 45 118.351 120.306 -1.955 1
1 477 . 10 1 1 A 46 46 TYR H H 46 6.841 7.995 -1.154 1
1 478 . 10 1 1 A 46 46 TYR HA H 46 3.775 4.116 -0.341 1
1 485 . 10 1 1 A 46 46 TYR CA C 46 60.316 61.178 -0.862 1
1 486 . 10 1 1 A 46 46 TYR CB C 46 36.452 38.562 -2.110 1
1 489 . 10 1 1 A 46 46 TYR N N 46 118.500 120.583 -2.083 1
1 490 . 10 1 1 A 47 47 VAL H H 47 8.125 7.779 0.346 1
1 491 . 10 1 1 A 47 47 VAL HA H 47 2.823 3.431 -0.608 1
1 499 . 10 1 1 A 47 47 VAL CA C 47 63.553 65.566 -2.013 1
1 500 . 10 1 1 A 47 47 VAL CB C 47 27.812 30.916 -3.104 1
1 503 . 10 1 1 A 47 47 VAL N N 47 117.616 119.627 -2.011 1
1 504 . 10 1 1 A 48 48 TYR H H 48 7.857 8.191 -0.334 1
1 505 . 10 1 1 A 48 48 TYR HA H 48 3.869 4.203 -0.334 1
1 512 . 10 1 1 A 48 48 TYR CA C 48 58.622 61.457 -2.835 1
1 513 . 10 1 1 A 48 48 TYR CB C 48 35.775 38.579 -2.804 1
1 516 . 10 1 1 A 48 48 TYR N N 48 121.176 121.920 -0.744 1
1 517 . 10 1 1 A 49 49 LEU H H 49 6.926 8.726 -1.800 1
1 518 . 10 1 1 A 49 49 LEU HA H 49 3.776 3.539 0.236 1
1 528 . 10 1 1 A 49 49 LEU CA C 49 54.688 58.169 -3.481 1
1 529 . 10 1 1 A 49 49 LEU CB C 49 40.938 41.780 -0.842 1
1 533 . 10 1 1 A 49 49 LEU N N 49 116.307 119.892 -3.585 1
1 534 . 10 1 1 A 50 50 GLU H H 50 7.894 7.892 0.002 1
1 535 . 10 1 1 A 50 50 GLU HA H 50 4.212 4.049 0.163 1
1 540 . 10 1 1 A 50 50 GLU CA C 50 53.616 57.063 -3.447 1
1 541 . 10 1 1 A 50 50 GLU CB C 50 28.924 29.972 -1.048 1
1 543 . 10 1 1 A 50 50 GLU N N 50 114.774 115.730 -0.956 1
1 544 . 10 1 1 A 51 51 GLY H H 51 7.768 6.777 0.991 1
1 545 . 10 1 1 A 51 51 GLY HA2 H 51 4.168 3.951 0.217 1
1 546 . 10 1 1 A 51 51 GLY HA3 H 51 3.770 3.952 -0.182 1
1 547 . 10 1 1 A 51 51 GLY CA C 51 42.188 44.196 -2.008 1
1 548 . 10 1 1 A 51 51 GLY N N 51 109.724 104.487 5.237 1
1 549 . 10 1 1 A 52 52 THR H H 52 8.230 8.656 -0.426 1
1 550 . 10 1 1 A 52 52 THR HA H 52 3.687 4.212 -0.525 1
1 555 . 10 1 1 A 52 52 THR CA C 52 62.813 64.665 -1.852 1
1 556 . 10 1 1 A 52 52 THR CB C 52 66.564 69.344 -2.780 1
1 558 . 10 1 1 A 52 52 THR N N 52 111.611 114.067 -2.456 1
1 559 . 10 1 1 A 53 53 GLN H H 53 8.342 7.583 0.759 1
1 560 . 10 1 1 A 53 53 GLN HA H 53 3.784 4.078 -0.294 1
1 566 . 10 1 1 A 53 53 GLN CA C 53 57.117 58.675 -1.558 1
1 567 . 10 1 1 A 53 53 GLN CB C 53 24.521 28.566 -4.045 1
1 569 . 10 1 1 A 53 53 GLN N N 53 122.288 121.918 0.370 1
1 571 . 10 1 1 A 54 54 LYS H H 54 8.236 7.817 0.419 1
1 572 . 10 1 1 A 54 54 LYS HA H 54 3.784 3.966 -0.182 1
1 579 . 10 1 1 A 54 54 LYS CA C 54 57.230 59.177 -1.947 1
1 580 . 10 1 1 A 54 54 LYS CB C 54 28.437 32.082 -3.645 1
1 584 . 10 1 1 A 54 54 LYS N N 54 121.397 119.292 2.105 1
1 585 . 10 1 1 A 55 55 ALA H H 55 7.207 8.032 -0.826 1
1 586 . 10 1 1 A 55 55 ALA HA H 55 3.893 4.095 -0.202 1
1 590 . 10 1 1 A 55 55 ALA CA C 55 49.063 54.860 -5.797 1
1 591 . 10 1 1 A 55 55 ALA CB C 55 16.562 18.048 -1.486 1
1 592 . 10 1 1 A 55 55 ALA N N 55 121.624 122.019 -0.395 1
1 593 . 10 1 1 A 56 56 LYS H H 56 8.199 7.461 0.738 1
1 594 . 10 1 1 A 56 56 LYS HA H 56 2.316 2.625 -0.309 1
1 602 . 10 1 1 A 56 56 LYS CA C 56 56.514 58.800 -2.286 1
1 603 . 10 1 1 A 56 56 LYS CB C 56 29.527 31.640 -2.113 1
1 607 . 10 1 1 A 56 56 LYS N N 56 124.153 117.404 6.749 1
1 608 . 10 1 1 A 57 57 LYS H H 57 7.801 7.948 -0.147 1
1 609 . 10 1 1 A 57 57 LYS HA H 57 3.696 3.999 -0.303 1
1 616 . 10 1 1 A 57 57 LYS CA C 57 57.305 58.888 -1.583 1
1 617 . 10 1 1 A 57 57 LYS CB C 57 29.790 32.668 -2.878 1
1 621 . 10 1 1 A 57 57 LYS N N 57 120.226 118.034 2.192 1
1 622 . 10 1 1 A 58 58 LEU H H 58 7.748 8.168 -0.419 1
1 623 . 10 1 1 A 58 58 LEU HA H 58 4.014 4.054 -0.040 1
1 633 . 10 1 1 A 58 58 LEU CA C 58 55.912 57.945 -2.033 1
1 634 . 10 1 1 A 58 58 LEU CB C 58 39.313 42.090 -2.777 1
1 638 . 10 1 1 A 58 58 LEU N N 58 118.589 120.596 -2.007 1
1 639 . 10 1 1 A 59 59 PHE H H 59 7.587 8.469 -0.882 1
1 640 . 10 1 1 A 59 59 PHE HA H 59 4.181 4.185 -0.004 1
1 648 . 10 1 1 A 59 59 PHE CA C 59 59.036 61.282 -2.246 1
1 649 . 10 1 1 A 59 59 PHE CB C 59 36.340 38.902 -2.562 1
1 653 . 10 1 1 A 59 59 PHE N N 59 122.478 119.077 3.401 1
1 654 . 10 1 1 A 60 60 LEU H H 60 8.576 8.722 -0.145 1
1 655 . 10 1 1 A 60 60 LEU HA H 60 3.528 3.640 -0.112 1
1 665 . 10 1 1 A 60 60 LEU CA C 60 55.084 58.088 -3.004 1
1 666 . 10 1 1 A 60 60 LEU CB C 60 38.259 41.350 -3.091 1
1 670 . 10 1 1 A 60 60 LEU N N 60 120.969 119.376 1.593 1
1 671 . 10 1 1 A 61 61 GLN H H 61 7.956 8.248 -0.292 1
1 672 . 10 1 1 A 61 61 GLN HA H 61 3.892 3.895 -0.003 1
1 679 . 10 1 1 A 61 61 GLN CA C 61 56.326 58.629 -2.303 1
1 680 . 10 1 1 A 61 61 GLN CB C 61 25.581 28.419 -2.838 1
1 682 . 10 1 1 A 61 61 GLN N N 61 119.668 116.465 3.203 1
1 684 . 10 1 1 A 62 62 HIS H H 62 7.487 7.917 -0.430 1
1 685 . 10 1 1 A 62 62 HIS HA H 62 4.130 4.175 -0.045 1
1 690 . 10 1 1 A 62 62 HIS CA C 62 57.531 59.923 -2.392 1
1 691 . 10 1 1 A 62 62 HIS CB C 62 28.134 29.762 -1.628 1
1 694 . 10 1 1 A 62 62 HIS N N 62 121.475 119.402 2.073 1
1 695 . 10 1 1 A 63 63 ILE H H 63 7.747 8.272 -0.525 1
1 696 . 10 1 1 A 63 63 ILE HA H 63 3.297 3.433 -0.136 1
1 706 . 10 1 1 A 63 63 ILE CA C 63 60.408 65.548 -5.140 1
1 707 . 10 1 1 A 63 63 ILE CB C 63 33.437 37.877 -4.440 1
1 710 . 10 1 1 A 63 63 ILE N N 63 116.455 120.127 -3.672 1
1 711 . 10 1 1 A 64 64 HIS H H 64 7.703 8.419 -0.716 1
1 712 . 10 1 1 A 64 64 HIS HA H 64 3.983 4.068 -0.085 1
1 718 . 10 1 1 A 64 64 HIS CA C 64 57.832 60.165 -2.333 1
1 719 . 10 1 1 A 64 64 HIS CB C 64 27.382 29.402 -2.020 1
1 722 . 10 1 1 A 64 64 HIS N N 64 118.476 118.902 -0.426 1
1 723 . 10 1 1 A 65 65 ARG H H 65 7.501 8.426 -0.925 1
1 724 . 10 1 1 A 65 65 ARG HA H 65 3.789 4.035 -0.246 1
1 731 . 10 1 1 A 65 65 ARG CA C 65 56.966 59.533 -2.567 1
1 732 . 10 1 1 A 65 65 ARG CB C 65 27.194 29.945 -2.751 1
1 735 . 10 1 1 A 65 65 ARG N N 65 119.155 118.618 0.537 1
1 736 . 10 1 1 A 66 66 LEU H H 66 7.708 8.567 -0.859 1
1 737 . 10 1 1 A 66 66 LEU HA H 66 3.791 3.809 -0.018 1
1 747 . 10 1 1 A 66 66 LEU CA C 66 54.143 57.593 -3.450 1
1 748 . 10 1 1 A 66 66 LEU CB C 66 39.688 41.504 -1.816 1
1 752 . 10 1 1 A 66 66 LEU N N 66 118.791 120.345 -1.554 1
1 753 . 10 1 1 A 67 67 LYS H H 67 7.573 7.853 -0.280 1
1 754 . 10 1 1 A 67 67 LYS HA H 67 3.358 4.073 -0.715 1
1 761 . 10 1 1 A 67 67 LYS CA C 67 55.255 58.833 -3.578 1
1 762 . 10 1 1 A 67 67 LYS CB C 67 30.352 32.351 -1.999 1
1 766 . 10 1 1 A 67 67 LYS N N 67 118.232 117.255 0.977 1
1 767 . 10 1 1 A 68 68 HIS H H 68 7.398 8.692 -1.294 1
1 768 . 10 1 1 A 68 68 HIS HA H 68 4.287 4.735 -0.448 1
1 774 . 10 1 1 A 68 68 HIS CA C 68 53.438 54.135 -0.697 1
1 775 . 10 1 1 A 68 68 HIS CB C 68 27.156 30.232 -3.076 1
1 778 . 10 1 1 A 68 68 HIS N N 68 116.826 113.457 3.369 1
1 17 . 11 1 1 A 6 6 GLN H H 6 8.338 7.729 0.609 1
1 18 . 11 1 1 A 6 6 GLN HA H 6 4.087 4.311 -0.225 1
1 23 . 11 1 1 A 6 6 GLN CA C 6 54.294 57.986 -3.692 1
1 24 . 11 1 1 A 6 6 GLN CB C 6 25.937 28.726 -2.789 1
1 26 . 11 1 1 A 7 7 GLN H H 7 8.102 8.054 0.048 1
1 27 . 11 1 1 A 7 7 GLN HA H 7 4.022 4.191 -0.169 1
1 33 . 11 1 1 A 7 7 GLN CA C 7 54.971 58.660 -3.689 1
1 34 . 11 1 1 A 7 7 GLN CB C 7 26.139 28.891 -2.752 1
1 36 . 11 1 1 A 7 7 GLN N N 7 121.077 120.488 0.589 1
1 38 . 11 1 1 A 8 8 ILE H H 8 7.931 7.775 0.156 1
1 39 . 11 1 1 A 8 8 ILE HA H 8 3.707 3.871 -0.164 1
1 49 . 11 1 1 A 8 8 ILE CA C 8 60.313 65.067 -4.754 1
1 50 . 11 1 1 A 8 8 ILE CB C 8 35.549 37.787 -2.238 1
1 54 . 11 1 1 A 8 8 ILE N N 8 121.658 119.597 2.061 1
1 55 . 11 1 1 A 9 9 ALA H H 9 8.066 7.938 0.129 1
1 56 . 11 1 1 A 9 9 ALA HA H 9 4.154 4.512 -0.358 1
1 60 . 11 1 1 A 9 9 ALA CA C 9 51.535 53.328 -1.792 1
1 61 . 11 1 1 A 9 9 ALA CB C 9 16.982 20.621 -3.639 1
1 62 . 11 1 1 A 9 9 ALA N N 9 125.451 122.980 2.471 1
1 63 . 11 1 1 A 10 10 THR H H 10 8.341 8.620 -0.279 1
1 64 . 11 1 1 A 10 10 THR HA H 10 4.080 4.149 -0.069 1
1 69 . 11 1 1 A 10 10 THR CA C 10 60.938 64.997 -4.059 1
1 70 . 11 1 1 A 10 10 THR CB C 10 67.814 68.439 -0.625 1
1 72 . 11 1 1 A 10 10 THR N N 10 113.598 111.435 2.163 1
1 73 . 11 1 1 A 11 11 ALA H H 11 8.169 7.990 0.179 1
1 74 . 11 1 1 A 11 11 ALA HA H 11 3.978 4.088 -0.110 1
1 78 . 11 1 1 A 11 11 ALA CA C 11 52.638 55.672 -3.034 1
1 79 . 11 1 1 A 11 11 ALA CB C 11 15.450 18.579 -3.129 1
1 80 . 11 1 1 A 12 12 LYS H H 12 8.742 8.111 0.630 1
1 81 . 11 1 1 A 12 12 LYS HA H 12 3.433 3.641 -0.208 1
1 89 . 11 1 1 A 12 12 LYS CA C 12 57.832 59.712 -1.880 1
1 90 . 11 1 1 A 12 12 LYS CB C 12 29.978 32.082 -2.104 1
1 93 . 11 1 1 A 12 12 LYS N N 12 121.423 118.767 2.656 1
1 94 . 11 1 1 A 13 13 ASP H H 13 7.689 8.843 -1.155 1
1 95 . 11 1 1 A 13 13 ASP HA H 13 4.026 4.349 -0.323 1
1 98 . 11 1 1 A 13 13 ASP CA C 13 54.896 57.607 -2.711 1
1 99 . 11 1 1 A 13 13 ASP CB C 13 37.904 42.064 -4.160 1
1 100 . 11 1 1 A 13 13 ASP N N 13 119.535 119.703 -0.168 1
1 101 . 11 1 1 A 14 14 LYS H H 14 7.806 8.136 -0.330 1
1 102 . 11 1 1 A 14 14 LYS HA H 14 3.803 4.226 -0.423 1
1 105 . 11 1 1 A 14 14 LYS CA C 14 56.563 58.949 -2.386 1
1 106 . 11 1 1 A 14 14 LYS N N 14 117.395 119.690 -2.295 1
1 107 . 11 1 1 A 15 15 TYR H H 15 7.867 8.385 -0.517 1
1 108 . 11 1 1 A 15 15 TYR HA H 15 4.038 4.134 -0.096 1
1 115 . 11 1 1 A 15 15 TYR CA C 15 58.284 61.754 -3.470 1
1 116 . 11 1 1 A 15 15 TYR CB C 15 35.361 38.655 -3.294 1
1 119 . 11 1 1 A 15 15 TYR N N 15 120.763 121.180 -0.417 1
1 120 . 11 1 1 A 16 16 GLU H H 16 8.575 9.128 -0.553 1
1 121 . 11 1 1 A 16 16 GLU HA H 16 3.178 3.952 -0.774 1
1 126 . 11 1 1 A 16 16 GLU CA C 16 58.622 59.028 -0.406 1
1 127 . 11 1 1 A 16 16 GLU CB C 16 26.562 29.188 -2.626 1
1 129 . 11 1 1 A 16 16 GLU N N 16 119.244 117.134 2.110 1
1 130 . 11 1 1 A 17 17 TRP H H 17 8.082 7.832 0.250 1
1 131 . 11 1 1 A 17 17 TRP HA H 17 4.124 4.745 -0.621 1
1 140 . 11 1 1 A 17 17 TRP CA C 17 57.229 61.093 -3.864 1
1 141 . 11 1 1 A 17 17 TRP CB C 17 25.612 29.496 -3.884 1
1 147 . 11 1 1 A 17 17 TRP N N 17 120.589 123.702 -3.113 1
1 149 . 11 1 1 A 18 18 LEU H H 18 7.619 8.684 -1.065 1
1 150 . 11 1 1 A 18 18 LEU HA H 18 3.553 3.018 0.535 1
1 160 . 11 1 1 A 18 18 LEU CA C 18 55.837 57.747 -1.910 1
1 161 . 11 1 1 A 18 18 LEU CB C 18 38.786 41.401 -2.615 1
1 165 . 11 1 1 A 18 18 LEU N N 18 122.925 119.675 3.250 1
1 166 . 11 1 1 A 19 19 VAL H H 19 8.069 8.163 -0.094 1
1 167 . 11 1 1 A 19 19 VAL HA H 19 3.060 3.576 -0.516 1
1 175 . 11 1 1 A 19 19 VAL CA C 19 64.268 64.756 -0.488 1
1 176 . 11 1 1 A 19 19 VAL CB C 19 28.849 30.882 -2.033 1
1 179 . 11 1 1 A 19 19 VAL N N 19 118.738 119.346 -0.608 1
1 180 . 11 1 1 A 20 20 SER H H 20 7.380 7.445 -0.066 1
1 181 . 11 1 1 A 20 20 SER HA H 20 3.569 4.099 -0.530 1
1 184 . 11 1 1 A 20 20 SER CA C 20 59.063 60.261 -1.198 1
1 185 . 11 1 1 A 20 20 SER CB C 20 60.354 62.810 -2.456 1
1 186 . 11 1 1 A 20 20 SER N N 20 111.215 116.330 -5.115 1
1 187 . 11 1 1 A 21 21 ARG H H 21 7.290 8.353 -1.062 1
1 188 . 11 1 1 A 21 21 ARG HA H 21 3.860 4.134 -0.274 1
1 195 . 11 1 1 A 21 21 ARG CA C 21 55.197 57.996 -2.799 1
1 196 . 11 1 1 A 21 21 ARG CB C 21 28.021 29.049 -1.028 1
1 199 . 11 1 1 A 21 21 ARG N N 21 119.898 121.968 -2.070 1
1 200 . 11 1 1 A 22 22 ILE H H 22 7.695 7.028 0.667 1
1 201 . 11 1 1 A 22 22 ILE HA H 22 3.900 4.057 -0.157 1
1 211 . 11 1 1 A 22 22 ILE CA C 22 59.337 62.896 -3.559 1
1 212 . 11 1 1 A 22 22 ILE CB C 22 36.562 38.539 -1.977 1
1 216 . 11 1 1 A 22 22 ILE N N 22 116.745 119.019 -2.274 1
1 217 . 11 1 1 A 23 23 VAL H H 23 7.969 7.537 0.432 1
1 218 . 11 1 1 A 23 23 VAL HA H 23 3.887 4.039 -0.152 1
1 226 . 11 1 1 A 23 23 VAL CA C 23 60.956 63.738 -2.782 1
1 227 . 11 1 1 A 23 23 VAL CB C 23 28.307 32.141 -3.834 1
1 230 . 11 1 1 A 23 23 VAL N N 23 122.152 120.301 1.851 1
1 231 . 11 1 1 A 24 24 LYS H H 24 9.007 8.905 0.102 1
1 232 . 11 1 1 A 24 24 LYS HA H 24 4.285 4.583 -0.298 1
1 239 . 11 1 1 A 24 24 LYS CA C 24 52.838 57.445 -4.607 1
1 240 . 11 1 1 A 24 24 LYS CB C 24 30.937 35.617 -4.680 1
1 244 . 11 1 1 A 24 24 LYS N N 24 127.138 128.686 -1.548 1
1 245 . 11 1 1 A 25 25 ASN H H 25 7.936 7.695 0.240 1
1 246 . 11 1 1 A 25 25 ASN HA H 25 4.727 4.750 -0.023 1
1 251 . 11 1 1 A 25 25 ASN CA C 25 49.688 52.583 -2.895 1
1 252 . 11 1 1 A 25 25 ASN CB C 25 38.574 38.564 0.010 1
1 253 . 11 1 1 A 25 25 ASN N N 25 116.900 117.030 -0.130 1
1 255 . 11 1 1 A 26 26 HIS H H 26 8.035 7.821 0.214 1
1 256 . 11 1 1 A 26 26 HIS HA H 26 4.096 4.294 -0.198 1
1 262 . 11 1 1 A 26 26 HIS CA C 26 54.755 57.377 -2.623 1
1 263 . 11 1 1 A 26 26 HIS CB C 26 27.832 27.561 0.272 1
1 266 . 11 1 1 A 26 26 HIS N N 26 117.740 118.432 -0.692 1
1 267 . 11 1 1 A 27 27 ASN H H 27 7.949 8.003 -0.054 1
1 268 . 11 1 1 A 27 27 ASN HA H 27 4.537 4.854 -0.318 1
1 273 . 11 1 1 A 27 27 ASN CA C 27 50.304 52.928 -2.624 1
1 274 . 11 1 1 A 27 27 ASN CB C 27 35.850 38.768 -2.918 1
1 275 . 11 1 1 A 27 27 ASN N N 27 117.497 117.287 0.210 1
1 277 . 11 1 1 A 28 28 GLU H H 28 7.020 7.982 -0.962 1
1 278 . 11 1 1 A 28 28 GLU HA H 28 4.171 4.667 -0.496 1
1 283 . 11 1 1 A 28 28 GLU CA C 28 54.971 55.549 -0.578 1
1 284 . 11 1 1 A 28 28 GLU CB C 28 28.398 31.142 -2.744 1
1 286 . 11 1 1 A 28 28 GLU N N 28 120.910 119.342 1.568 1
1 287 . 11 1 1 A 29 29 ASN H H 29 8.539 8.714 -0.175 1
1 288 . 11 1 1 A 29 29 ASN HA H 29 5.055 5.562 -0.507 1
1 293 . 11 1 1 A 29 29 ASN CA C 29 49.375 51.809 -2.434 1
1 294 . 11 1 1 A 29 29 ASN CB C 29 38.824 41.449 -2.625 1
1 295 . 11 1 1 A 29 29 ASN N N 29 118.857 117.486 1.371 1
1 297 . 11 1 1 A 30 30 TRP H H 30 9.219 9.118 0.101 1
1 298 . 11 1 1 A 30 30 TRP HA H 30 3.637 3.138 0.499 1
1 307 . 11 1 1 A 30 30 TRP CA C 30 55.988 61.134 -5.146 1
1 308 . 11 1 1 A 30 30 TRP CB C 30 27.757 30.209 -2.452 1
1 314 . 11 1 1 A 30 30 TRP N N 30 122.308 125.642 -3.334 1
1 316 . 11 1 1 A 31 31 LEU H H 31 8.329 8.527 -0.198 1
1 317 . 11 1 1 A 31 31 LEU HA H 31 3.302 3.438 -0.136 1
1 327 . 11 1 1 A 31 31 LEU CA C 31 55.874 57.413 -1.539 1
1 328 . 11 1 1 A 31 31 LEU CB C 31 38.372 41.313 -2.941 1
1 332 . 11 1 1 A 31 31 LEU N N 31 120.479 119.552 0.927 1
1 333 . 11 1 1 A 32 32 SER H H 32 7.521 7.844 -0.324 1
1 334 . 11 1 1 A 32 32 SER HA H 32 3.893 4.006 -0.113 1
1 337 . 11 1 1 A 32 32 SER CA C 32 58.245 62.656 -4.411 1
1 338 . 11 1 1 A 32 32 SER CB C 32 60.316 63.033 -2.717 1
1 339 . 11 1 1 A 32 32 SER N N 32 112.204 113.855 -1.651 1
1 340 . 11 1 1 A 33 33 VAL H H 33 7.873 7.897 -0.024 1
1 341 . 11 1 1 A 33 33 VAL HA H 33 3.293 3.789 -0.496 1
1 349 . 11 1 1 A 33 33 VAL CA C 33 63.629 64.860 -1.231 1
1 350 . 11 1 1 A 33 33 VAL CB C 33 29.000 31.059 -2.059 1
1 353 . 11 1 1 A 33 33 VAL N N 33 121.321 119.293 2.028 1
1 354 . 11 1 1 A 34 34 SER H H 34 8.213 8.182 0.031 1
1 355 . 11 1 1 A 34 34 SER HA H 34 2.777 3.354 -0.577 1
1 358 . 11 1 1 A 34 34 SER CA C 34 59.063 60.866 -1.803 1
1 359 . 11 1 1 A 34 34 SER CB C 34 58.438 62.051 -3.613 1
1 360 . 11 1 1 A 34 34 SER N N 34 116.084 117.156 -1.072 1
1 361 . 11 1 1 A 35 35 ARG H H 35 6.651 7.814 -1.163 1
1 362 . 11 1 1 A 35 35 ARG HA H 35 3.649 3.786 -0.137 1
1 367 . 11 1 1 A 35 35 ARG CA C 35 56.778 59.579 -2.801 1
1 368 . 11 1 1 A 35 35 ARG CB C 35 26.892 29.945 -3.053 1
1 371 . 11 1 1 A 35 35 ARG N N 35 120.706 121.922 -1.216 1
1 372 . 11 1 1 A 36 36 LYS H H 36 7.074 7.812 -0.738 1
1 373 . 11 1 1 A 36 36 LYS HA H 36 3.840 3.888 -0.048 1
1 380 . 11 1 1 A 36 36 LYS CA C 36 56.288 59.198 -2.910 1
1 381 . 11 1 1 A 36 36 LYS CB C 36 30.091 32.098 -2.007 1
1 385 . 11 1 1 A 36 36 LYS N N 36 118.246 119.360 -1.114 1
1 386 . 11 1 1 A 37 37 MET H H 37 7.362 8.825 -1.464 1
1 387 . 11 1 1 A 37 37 MET HA H 37 3.958 4.080 -0.122 1
1 395 . 11 1 1 A 37 37 MET CA C 37 54.972 57.490 -2.518 1
1 396 . 11 1 1 A 37 37 MET CB C 37 31.521 30.956 0.565 1
1 398 . 11 1 1 A 37 37 MET N N 37 116.022 118.295 -2.273 1
1 399 . 11 1 1 A 38 38 GLN H H 38 6.836 8.381 -1.545 1
1 400 . 11 1 1 A 38 38 GLN HA H 38 3.455 4.189 -0.734 1
1 406 . 11 1 1 A 38 38 GLN CA C 38 55.938 57.815 -1.877 1
1 407 . 11 1 1 A 38 38 GLN CB C 38 25.312 27.729 -2.417 1
1 409 . 11 1 1 A 38 38 GLN N N 38 116.745 117.464 -0.719 1
1 411 . 11 1 1 A 39 39 ALA H H 39 7.636 7.300 0.336 1
1 412 . 11 1 1 A 39 39 ALA HA H 39 4.210 4.238 -0.028 1
1 416 . 11 1 1 A 39 39 ALA CA C 39 50.313 52.643 -2.330 1
1 417 . 11 1 1 A 39 39 ALA CB C 39 16.278 18.462 -2.184 1
1 418 . 11 1 1 A 39 39 ALA N N 39 118.576 121.194 -2.618 1
1 419 . 11 1 1 A 40 40 SER H H 40 8.246 7.497 0.749 1
1 420 . 11 1 1 A 40 40 SER HA H 40 4.681 4.940 -0.259 1
1 423 . 11 1 1 A 40 40 SER CA C 40 55.122 55.359 -0.237 1
1 424 . 11 1 1 A 40 40 SER CB C 40 60.938 65.121 -4.183 1
1 425 . 11 1 1 A 40 40 SER N N 40 119.184 114.214 4.970 1
1 426 . 11 1 1 A 41 41 PRO HA H 41 4.083 4.323 -0.240 1
1 432 . 11 1 1 A 41 41 PRO CA C 41 62.800 65.459 -2.659 1
1 434 . 11 1 1 A 42 42 GLU H H 42 9.832 8.542 1.290 1
1 435 . 11 1 1 A 42 42 GLU HA H 42 3.961 4.266 -0.305 1
1 440 . 11 1 1 A 42 42 GLU CA C 42 57.832 59.320 -1.488 1
1 441 . 11 1 1 A 42 42 GLU CB C 42 27.812 29.408 -1.596 1
1 443 . 11 1 1 A 42 42 GLU N N 42 115.590 117.675 -2.085 1
1 444 . 11 1 1 A 43 43 TYR H H 43 7.138 8.377 -1.240 1
1 445 . 11 1 1 A 43 43 TYR HA H 43 4.192 4.667 -0.475 1
1 452 . 11 1 1 A 43 43 TYR CA C 43 58.438 61.726 -3.288 1
1 453 . 11 1 1 A 43 43 TYR CB C 43 37.812 38.911 -1.099 1
1 456 . 11 1 1 A 43 43 TYR N N 43 118.651 121.761 -3.110 1
1 457 . 11 1 1 A 44 44 GLN H H 44 7.832 8.160 -0.328 1
1 458 . 11 1 1 A 44 44 GLN HA H 44 3.506 3.710 -0.204 1
1 465 . 11 1 1 A 44 44 GLN CA C 44 56.110 58.908 -2.798 1
1 466 . 11 1 1 A 44 44 GLN CB C 44 25.161 28.556 -3.395 1
1 468 . 11 1 1 A 44 44 GLN N N 44 117.515 118.686 -1.171 1
1 470 . 11 1 1 A 45 45 ASP H H 45 8.967 8.727 0.240 1
1 471 . 11 1 1 A 45 45 ASP HA H 45 4.224 4.278 -0.054 1
1 474 . 11 1 1 A 45 45 ASP CA C 45 54.407 57.520 -3.113 1
1 475 . 11 1 1 A 45 45 ASP CB C 45 37.694 40.470 -2.776 1
1 476 . 11 1 1 A 45 45 ASP N N 45 118.351 120.269 -1.918 1
1 477 . 11 1 1 A 46 46 TYR H H 46 6.841 8.239 -1.398 1
1 478 . 11 1 1 A 46 46 TYR HA H 46 3.775 4.141 -0.366 1
1 485 . 11 1 1 A 46 46 TYR CA C 46 60.316 61.026 -0.710 1
1 486 . 11 1 1 A 46 46 TYR CB C 46 36.452 38.704 -2.252 1
1 489 . 11 1 1 A 46 46 TYR N N 46 118.500 121.912 -3.412 1
1 490 . 11 1 1 A 47 47 VAL H H 47 8.125 7.862 0.263 1
1 491 . 11 1 1 A 47 47 VAL HA H 47 2.823 3.463 -0.640 1
1 499 . 11 1 1 A 47 47 VAL CA C 47 63.553 65.538 -1.985 1
1 500 . 11 1 1 A 47 47 VAL CB C 47 27.812 30.905 -3.093 1
1 503 . 11 1 1 A 47 47 VAL N N 47 117.616 119.641 -2.025 1
1 504 . 11 1 1 A 48 48 TYR H H 48 7.857 7.947 -0.090 1
1 505 . 11 1 1 A 48 48 TYR HA H 48 3.869 4.180 -0.311 1
1 512 . 11 1 1 A 48 48 TYR CA C 48 58.622 61.399 -2.777 1
1 513 . 11 1 1 A 48 48 TYR CB C 48 35.775 38.537 -2.762 1
1 516 . 11 1 1 A 48 48 TYR N N 48 121.176 121.986 -0.810 1
1 517 . 11 1 1 A 49 49 LEU H H 49 6.926 8.621 -1.695 1
1 518 . 11 1 1 A 49 49 LEU HA H 49 3.776 3.546 0.230 1
1 528 . 11 1 1 A 49 49 LEU CA C 49 54.688 58.169 -3.481 1
1 529 . 11 1 1 A 49 49 LEU CB C 49 40.938 41.581 -0.643 1
1 533 . 11 1 1 A 49 49 LEU N N 49 116.307 120.352 -4.045 1
1 534 . 11 1 1 A 50 50 GLU H H 50 7.894 7.701 0.194 1
1 535 . 11 1 1 A 50 50 GLU HA H 50 4.212 3.973 0.239 1
1 540 . 11 1 1 A 50 50 GLU CA C 50 53.616 57.127 -3.511 1
1 541 . 11 1 1 A 50 50 GLU CB C 50 28.924 30.457 -1.533 1
1 543 . 11 1 1 A 50 50 GLU N N 50 114.774 115.925 -1.151 1
1 544 . 11 1 1 A 51 51 GLY H H 51 7.768 6.700 1.068 1
1 545 . 11 1 1 A 51 51 GLY HA2 H 51 4.168 3.984 0.184 1
1 546 . 11 1 1 A 51 51 GLY HA3 H 51 3.770 3.987 -0.217 1
1 547 . 11 1 1 A 51 51 GLY CA C 51 42.188 44.239 -2.051 1
1 548 . 11 1 1 A 51 51 GLY N N 51 109.724 104.846 4.878 1
1 549 . 11 1 1 A 52 52 THR H H 52 8.230 8.777 -0.546 1
1 550 . 11 1 1 A 52 52 THR HA H 52 3.687 4.168 -0.481 1
1 555 . 11 1 1 A 52 52 THR CA C 52 62.813 65.679 -2.866 1
1 556 . 11 1 1 A 52 52 THR CB C 52 66.564 68.912 -2.348 1
1 558 . 11 1 1 A 52 52 THR N N 52 111.611 114.477 -2.866 1
1 559 . 11 1 1 A 53 53 GLN H H 53 8.342 7.605 0.737 1
1 560 . 11 1 1 A 53 53 GLN HA H 53 3.784 4.056 -0.272 1
1 566 . 11 1 1 A 53 53 GLN CA C 53 57.117 58.753 -1.636 1
1 567 . 11 1 1 A 53 53 GLN CB C 53 24.521 28.480 -3.959 1
1 569 . 11 1 1 A 53 53 GLN N N 53 122.288 120.073 2.215 1
1 571 . 11 1 1 A 54 54 LYS H H 54 8.236 7.851 0.386 1
1 572 . 11 1 1 A 54 54 LYS HA H 54 3.784 4.025 -0.241 1
1 579 . 11 1 1 A 54 54 LYS CA C 54 57.230 58.945 -1.715 1
1 580 . 11 1 1 A 54 54 LYS CB C 54 28.437 32.037 -3.600 1
1 584 . 11 1 1 A 54 54 LYS N N 54 121.397 119.142 2.255 1
1 585 . 11 1 1 A 55 55 ALA H H 55 7.207 7.735 -0.528 1
1 586 . 11 1 1 A 55 55 ALA HA H 55 3.893 4.164 -0.271 1
1 590 . 11 1 1 A 55 55 ALA CA C 55 49.063 54.987 -5.924 1
1 591 . 11 1 1 A 55 55 ALA CB C 55 16.562 18.293 -1.731 1
1 592 . 11 1 1 A 55 55 ALA N N 55 121.624 122.336 -0.712 1
1 593 . 11 1 1 A 56 56 LYS H H 56 8.199 7.749 0.450 1
1 594 . 11 1 1 A 56 56 LYS HA H 56 2.316 2.559 -0.243 1
1 602 . 11 1 1 A 56 56 LYS CA C 56 56.514 58.785 -2.271 1
1 603 . 11 1 1 A 56 56 LYS CB C 56 29.527 31.468 -1.941 1
1 607 . 11 1 1 A 56 56 LYS N N 56 124.153 117.674 6.479 1
1 608 . 11 1 1 A 57 57 LYS H H 57 7.801 8.577 -0.775 1
1 609 . 11 1 1 A 57 57 LYS HA H 57 3.696 3.969 -0.273 1
1 616 . 11 1 1 A 57 57 LYS CA C 57 57.305 59.630 -2.325 1
1 617 . 11 1 1 A 57 57 LYS CB C 57 29.790 32.508 -2.718 1
1 621 . 11 1 1 A 57 57 LYS N N 57 120.226 118.741 1.485 1
1 622 . 11 1 1 A 58 58 LEU H H 58 7.748 8.115 -0.366 1
1 623 . 11 1 1 A 58 58 LEU HA H 58 4.014 4.055 -0.041 1
1 633 . 11 1 1 A 58 58 LEU CA C 58 55.912 57.832 -1.920 1
1 634 . 11 1 1 A 58 58 LEU CB C 58 39.313 41.916 -2.603 1
1 638 . 11 1 1 A 58 58 LEU N N 58 118.589 120.728 -2.139 1
1 639 . 11 1 1 A 59 59 PHE H H 59 7.587 8.599 -1.012 1
1 640 . 11 1 1 A 59 59 PHE HA H 59 4.181 4.186 -0.005 1
1 648 . 11 1 1 A 59 59 PHE CA C 59 59.036 61.151 -2.115 1
1 649 . 11 1 1 A 59 59 PHE CB C 59 36.340 38.630 -2.290 1
1 653 . 11 1 1 A 59 59 PHE N N 59 122.478 119.275 3.203 1
1 654 . 11 1 1 A 60 60 LEU H H 60 8.576 8.838 -0.262 1
1 655 . 11 1 1 A 60 60 LEU HA H 60 3.528 3.601 -0.073 1
1 665 . 11 1 1 A 60 60 LEU CA C 60 55.084 58.151 -3.067 1
1 666 . 11 1 1 A 60 60 LEU CB C 60 38.259 41.688 -3.429 1
1 670 . 11 1 1 A 60 60 LEU N N 60 120.969 119.478 1.491 1
1 671 . 11 1 1 A 61 61 GLN H H 61 7.956 8.358 -0.402 1
1 672 . 11 1 1 A 61 61 GLN HA H 61 3.892 3.894 -0.002 1
1 679 . 11 1 1 A 61 61 GLN CA C 61 56.326 59.193 -2.867 1
1 680 . 11 1 1 A 61 61 GLN CB C 61 25.581 28.390 -2.809 1
1 682 . 11 1 1 A 61 61 GLN N N 61 119.668 116.537 3.131 1
1 684 . 11 1 1 A 62 62 HIS H H 62 7.487 8.068 -0.581 1
1 685 . 11 1 1 A 62 62 HIS HA H 62 4.130 4.259 -0.129 1
1 690 . 11 1 1 A 62 62 HIS CA C 62 57.531 59.587 -2.056 1
1 691 . 11 1 1 A 62 62 HIS CB C 62 28.134 29.779 -1.645 1
1 694 . 11 1 1 A 62 62 HIS N N 62 121.475 119.340 2.135 1
1 695 . 11 1 1 A 63 63 ILE H H 63 7.747 8.399 -0.652 1
1 696 . 11 1 1 A 63 63 ILE HA H 63 3.297 3.431 -0.134 1
1 706 . 11 1 1 A 63 63 ILE CA C 63 60.408 65.529 -5.120 1
1 707 . 11 1 1 A 63 63 ILE CB C 63 33.437 37.745 -4.308 1
1 710 . 11 1 1 A 63 63 ILE N N 63 116.455 119.815 -3.360 1
1 711 . 11 1 1 A 64 64 HIS H H 64 7.703 8.286 -0.583 1
1 712 . 11 1 1 A 64 64 HIS HA H 64 3.983 4.054 -0.071 1
1 718 . 11 1 1 A 64 64 HIS CA C 64 57.832 60.223 -2.391 1
1 719 . 11 1 1 A 64 64 HIS CB C 64 27.382 29.255 -1.873 1
1 722 . 11 1 1 A 64 64 HIS N N 64 118.476 118.995 -0.519 1
1 723 . 11 1 1 A 65 65 ARG H H 65 7.501 8.432 -0.931 1
1 724 . 11 1 1 A 65 65 ARG HA H 65 3.789 4.037 -0.248 1
1 731 . 11 1 1 A 65 65 ARG CA C 65 56.966 59.688 -2.722 1
1 732 . 11 1 1 A 65 65 ARG CB C 65 27.194 29.917 -2.723 1
1 735 . 11 1 1 A 65 65 ARG N N 65 119.155 118.584 0.571 1
1 736 . 11 1 1 A 66 66 LEU H H 66 7.708 8.555 -0.847 1
1 737 . 11 1 1 A 66 66 LEU HA H 66 3.791 3.850 -0.059 1
1 747 . 11 1 1 A 66 66 LEU CA C 66 54.143 57.524 -3.381 1
1 748 . 11 1 1 A 66 66 LEU CB C 66 39.688 41.546 -1.858 1
1 752 . 11 1 1 A 66 66 LEU N N 66 118.791 120.339 -1.548 1
1 753 . 11 1 1 A 67 67 LYS H H 67 7.573 7.954 -0.381 1
1 754 . 11 1 1 A 67 67 LYS HA H 67 3.358 4.105 -0.747 1
1 761 . 11 1 1 A 67 67 LYS CA C 67 55.255 58.894 -3.639 1
1 762 . 11 1 1 A 67 67 LYS CB C 67 30.352 32.217 -1.865 1
1 766 . 11 1 1 A 67 67 LYS N N 67 118.232 117.179 1.053 1
1 767 . 11 1 1 A 68 68 HIS H H 68 7.398 8.674 -1.276 1
1 768 . 11 1 1 A 68 68 HIS HA H 68 4.287 4.811 -0.524 1
1 774 . 11 1 1 A 68 68 HIS CA C 68 53.438 54.166 -0.728 1
1 775 . 11 1 1 A 68 68 HIS CB C 68 27.156 30.178 -3.022 1
1 778 . 11 1 1 A 68 68 HIS N N 68 116.826 113.467 3.359 1
1 17 . 12 1 1 A 6 6 GLN H H 6 8.338 8.214 0.124 1
1 18 . 12 1 1 A 6 6 GLN HA H 6 4.087 3.919 0.168 1
1 23 . 12 1 1 A 6 6 GLN CA C 6 54.294 59.050 -4.756 1
1 24 . 12 1 1 A 6 6 GLN CB C 6 25.937 28.022 -2.085 1
1 26 . 12 1 1 A 7 7 GLN H H 7 8.102 7.858 0.244 1
1 27 . 12 1 1 A 7 7 GLN HA H 7 4.022 4.222 -0.200 1
1 33 . 12 1 1 A 7 7 GLN CA C 7 54.971 58.697 -3.726 1
1 34 . 12 1 1 A 7 7 GLN CB C 7 26.139 28.732 -2.593 1
1 36 . 12 1 1 A 7 7 GLN N N 7 121.077 118.575 2.502 1
1 38 . 12 1 1 A 8 8 ILE H H 8 7.931 7.905 0.026 1
1 39 . 12 1 1 A 8 8 ILE HA H 8 3.707 3.941 -0.234 1
1 49 . 12 1 1 A 8 8 ILE CA C 8 60.313 63.985 -3.672 1
1 50 . 12 1 1 A 8 8 ILE CB C 8 35.549 37.474 -1.925 1
1 54 . 12 1 1 A 8 8 ILE N N 8 121.658 119.052 2.606 1
1 55 . 12 1 1 A 9 9 ALA H H 9 8.066 7.723 0.344 1
1 56 . 12 1 1 A 9 9 ALA HA H 9 4.154 4.501 -0.347 1
1 60 . 12 1 1 A 9 9 ALA CA C 9 51.535 53.509 -1.974 1
1 61 . 12 1 1 A 9 9 ALA CB C 9 16.982 20.308 -3.326 1
1 62 . 12 1 1 A 9 9 ALA N N 9 125.451 123.515 1.936 1
1 63 . 12 1 1 A 10 10 THR H H 10 8.341 8.455 -0.115 1
1 64 . 12 1 1 A 10 10 THR HA H 10 4.080 4.134 -0.054 1
1 69 . 12 1 1 A 10 10 THR CA C 10 60.938 64.820 -3.882 1
1 70 . 12 1 1 A 10 10 THR CB C 10 67.814 68.531 -0.717 1
1 72 . 12 1 1 A 10 10 THR N N 10 113.598 111.739 1.859 1
1 73 . 12 1 1 A 11 11 ALA H H 11 8.169 8.162 0.007 1
1 74 . 12 1 1 A 11 11 ALA HA H 11 3.978 4.094 -0.116 1
1 78 . 12 1 1 A 11 11 ALA CA C 11 52.638 55.711 -3.073 1
1 79 . 12 1 1 A 11 11 ALA CB C 11 15.450 18.805 -3.355 1
1 80 . 12 1 1 A 12 12 LYS H H 12 8.742 8.050 0.692 1
1 81 . 12 1 1 A 12 12 LYS HA H 12 3.433 3.542 -0.109 1
1 89 . 12 1 1 A 12 12 LYS CA C 12 57.832 59.498 -1.666 1
1 90 . 12 1 1 A 12 12 LYS CB C 12 29.978 32.142 -2.164 1
1 93 . 12 1 1 A 12 12 LYS N N 12 121.423 118.571 2.852 1
1 94 . 12 1 1 A 13 13 ASP H H 13 7.689 8.652 -0.963 1
1 95 . 12 1 1 A 13 13 ASP HA H 13 4.026 4.315 -0.289 1
1 98 . 12 1 1 A 13 13 ASP CA C 13 54.896 57.444 -2.548 1
1 99 . 12 1 1 A 13 13 ASP CB C 13 37.904 41.651 -3.748 1
1 100 . 12 1 1 A 13 13 ASP N N 13 119.535 119.776 -0.241 1
1 101 . 12 1 1 A 14 14 LYS H H 14 7.806 8.352 -0.546 1
1 102 . 12 1 1 A 14 14 LYS HA H 14 3.803 4.222 -0.419 1
1 105 . 12 1 1 A 14 14 LYS CA C 14 56.563 58.807 -2.244 1
1 106 . 12 1 1 A 14 14 LYS N N 14 117.395 119.794 -2.399 1
1 107 . 12 1 1 A 15 15 TYR H H 15 7.867 8.370 -0.502 1
1 108 . 12 1 1 A 15 15 TYR HA H 15 4.038 4.215 -0.176 1
1 115 . 12 1 1 A 15 15 TYR CA C 15 58.284 61.664 -3.380 1
1 116 . 12 1 1 A 15 15 TYR CB C 15 35.361 38.593 -3.232 1
1 119 . 12 1 1 A 15 15 TYR N N 15 120.763 121.211 -0.448 1
1 120 . 12 1 1 A 16 16 GLU H H 16 8.575 9.074 -0.499 1
1 121 . 12 1 1 A 16 16 GLU HA H 16 3.178 3.874 -0.697 1
1 126 . 12 1 1 A 16 16 GLU CA C 16 58.622 59.096 -0.474 1
1 127 . 12 1 1 A 16 16 GLU CB C 16 26.562 29.000 -2.438 1
1 129 . 12 1 1 A 16 16 GLU N N 16 119.244 117.277 1.967 1
1 130 . 12 1 1 A 17 17 TRP H H 17 8.082 7.779 0.303 1
1 131 . 12 1 1 A 17 17 TRP HA H 17 4.124 4.791 -0.667 1
1 140 . 12 1 1 A 17 17 TRP CA C 17 57.229 61.029 -3.800 1
1 141 . 12 1 1 A 17 17 TRP CB C 17 25.612 29.632 -4.020 1
1 147 . 12 1 1 A 17 17 TRP N N 17 120.589 123.148 -2.559 1
1 149 . 12 1 1 A 18 18 LEU H H 18 7.619 8.734 -1.115 1
1 150 . 12 1 1 A 18 18 LEU HA H 18 3.553 3.035 0.518 1
1 160 . 12 1 1 A 18 18 LEU CA C 18 55.837 57.781 -1.944 1
1 161 . 12 1 1 A 18 18 LEU CB C 18 38.786 41.453 -2.667 1
1 165 . 12 1 1 A 18 18 LEU N N 18 122.925 119.815 3.110 1
1 166 . 12 1 1 A 19 19 VAL H H 19 8.069 8.239 -0.170 1
1 167 . 12 1 1 A 19 19 VAL HA H 19 3.060 3.576 -0.516 1
1 175 . 12 1 1 A 19 19 VAL CA C 19 64.268 64.779 -0.511 1
1 176 . 12 1 1 A 19 19 VAL CB C 19 28.849 30.845 -1.996 1
1 179 . 12 1 1 A 19 19 VAL N N 19 118.738 119.481 -0.743 1
1 180 . 12 1 1 A 20 20 SER H H 20 7.380 7.514 -0.135 1
1 181 . 12 1 1 A 20 20 SER HA H 20 3.569 3.955 -0.386 1
1 184 . 12 1 1 A 20 20 SER CA C 20 59.063 60.152 -1.089 1
1 185 . 12 1 1 A 20 20 SER CB C 20 60.354 62.801 -2.447 1
1 186 . 12 1 1 A 20 20 SER N N 20 111.215 116.183 -4.968 1
1 187 . 12 1 1 A 21 21 ARG H H 21 7.290 8.300 -1.010 1
1 188 . 12 1 1 A 21 21 ARG HA H 21 3.860 4.145 -0.285 1
1 195 . 12 1 1 A 21 21 ARG CA C 21 55.197 57.911 -2.714 1
1 196 . 12 1 1 A 21 21 ARG CB C 21 28.021 29.116 -1.095 1
1 199 . 12 1 1 A 21 21 ARG N N 21 119.898 121.629 -1.731 1
1 200 . 12 1 1 A 22 22 ILE H H 22 7.695 7.090 0.605 1
1 201 . 12 1 1 A 22 22 ILE HA H 22 3.900 4.050 -0.150 1
1 211 . 12 1 1 A 22 22 ILE CA C 22 59.337 62.855 -3.518 1
1 212 . 12 1 1 A 22 22 ILE CB C 22 36.562 38.616 -2.054 1
1 216 . 12 1 1 A 22 22 ILE N N 22 116.745 119.091 -2.346 1
1 217 . 12 1 1 A 23 23 VAL H H 23 7.969 7.695 0.274 1
1 218 . 12 1 1 A 23 23 VAL HA H 23 3.887 4.030 -0.143 1
1 226 . 12 1 1 A 23 23 VAL CA C 23 60.956 63.720 -2.764 1
1 227 . 12 1 1 A 23 23 VAL CB C 23 28.307 31.849 -3.542 1
1 230 . 12 1 1 A 23 23 VAL N N 23 122.152 120.443 1.709 1
1 231 . 12 1 1 A 24 24 LYS H H 24 9.007 9.059 -0.052 1
1 232 . 12 1 1 A 24 24 LYS HA H 24 4.285 4.597 -0.312 1
1 239 . 12 1 1 A 24 24 LYS CA C 24 52.838 57.423 -4.585 1
1 240 . 12 1 1 A 24 24 LYS CB C 24 30.937 35.441 -4.504 1
1 244 . 12 1 1 A 24 24 LYS N N 24 127.138 129.043 -1.905 1
1 245 . 12 1 1 A 25 25 ASN H H 25 7.936 8.029 -0.093 1
1 246 . 12 1 1 A 25 25 ASN HA H 25 4.727 4.634 0.093 1
1 251 . 12 1 1 A 25 25 ASN CA C 25 49.688 51.810 -2.122 1
1 252 . 12 1 1 A 25 25 ASN CB C 25 38.574 37.351 1.223 1
1 253 . 12 1 1 A 25 25 ASN N N 25 116.900 114.182 2.718 1
1 255 . 12 1 1 A 26 26 HIS H H 26 8.035 8.209 -0.174 1
1 256 . 12 1 1 A 26 26 HIS HA H 26 4.096 4.392 -0.296 1
1 262 . 12 1 1 A 26 26 HIS CA C 26 54.755 57.451 -2.696 1
1 263 . 12 1 1 A 26 26 HIS CB C 26 27.832 27.623 0.209 1
1 266 . 12 1 1 A 26 26 HIS N N 26 117.740 117.518 0.222 1
1 267 . 12 1 1 A 27 27 ASN H H 27 7.949 7.999 -0.050 1
1 268 . 12 1 1 A 27 27 ASN HA H 27 4.537 4.952 -0.415 1
1 273 . 12 1 1 A 27 27 ASN CA C 27 50.304 52.880 -2.576 1
1 274 . 12 1 1 A 27 27 ASN CB C 27 35.850 38.194 -2.344 1
1 275 . 12 1 1 A 27 27 ASN N N 27 117.497 117.202 0.295 1
1 277 . 12 1 1 A 28 28 GLU H H 28 7.020 8.001 -0.981 1
1 278 . 12 1 1 A 28 28 GLU HA H 28 4.171 4.738 -0.567 1
1 283 . 12 1 1 A 28 28 GLU CA C 28 54.971 55.157 -0.186 1
1 284 . 12 1 1 A 28 28 GLU CB C 28 28.398 31.530 -3.132 1
1 286 . 12 1 1 A 28 28 GLU N N 28 120.910 118.061 2.849 1
1 287 . 12 1 1 A 29 29 ASN H H 29 8.539 8.458 0.081 1
1 288 . 12 1 1 A 29 29 ASN HA H 29 5.055 5.261 -0.206 1
1 293 . 12 1 1 A 29 29 ASN CA C 29 49.375 51.766 -2.391 1
1 294 . 12 1 1 A 29 29 ASN CB C 29 38.824 40.455 -1.631 1
1 295 . 12 1 1 A 29 29 ASN N N 29 118.857 119.262 -0.405 1
1 297 . 12 1 1 A 30 30 TRP H H 30 9.219 9.042 0.177 1
1 298 . 12 1 1 A 30 30 TRP HA H 30 3.637 3.187 0.450 1
1 307 . 12 1 1 A 30 30 TRP CA C 30 55.988 61.019 -5.031 1
1 308 . 12 1 1 A 30 30 TRP CB C 30 27.757 30.087 -2.330 1
1 314 . 12 1 1 A 30 30 TRP N N 30 122.308 127.973 -5.665 1
1 316 . 12 1 1 A 31 31 LEU H H 31 8.329 8.441 -0.113 1
1 317 . 12 1 1 A 31 31 LEU HA H 31 3.302 3.380 -0.078 1
1 327 . 12 1 1 A 31 31 LEU CA C 31 55.874 57.582 -1.708 1
1 328 . 12 1 1 A 31 31 LEU CB C 31 38.372 41.755 -3.383 1
1 332 . 12 1 1 A 31 31 LEU N N 31 120.479 119.531 0.948 1
1 333 . 12 1 1 A 32 32 SER H H 32 7.521 7.800 -0.280 1
1 334 . 12 1 1 A 32 32 SER HA H 32 3.893 3.972 -0.079 1
1 337 . 12 1 1 A 32 32 SER CA C 32 58.245 62.026 -3.781 1
1 338 . 12 1 1 A 32 32 SER CB C 32 60.316 62.940 -2.624 1
1 339 . 12 1 1 A 32 32 SER N N 32 112.204 113.854 -1.650 1
1 340 . 12 1 1 A 33 33 VAL H H 33 7.873 8.298 -0.424 1
1 341 . 12 1 1 A 33 33 VAL HA H 33 3.293 3.761 -0.468 1
1 349 . 12 1 1 A 33 33 VAL CA C 33 63.629 64.802 -1.173 1
1 350 . 12 1 1 A 33 33 VAL CB C 33 29.000 31.265 -2.265 1
1 353 . 12 1 1 A 33 33 VAL N N 33 121.321 118.539 2.782 1
1 354 . 12 1 1 A 34 34 SER H H 34 8.213 7.912 0.301 1
1 355 . 12 1 1 A 34 34 SER HA H 34 2.777 3.527 -0.750 1
1 358 . 12 1 1 A 34 34 SER CA C 34 59.063 60.614 -1.551 1
1 359 . 12 1 1 A 34 34 SER CB C 34 58.438 62.475 -4.037 1
1 360 . 12 1 1 A 34 34 SER N N 34 116.084 118.185 -2.101 1
1 361 . 12 1 1 A 35 35 ARG H H 35 6.651 7.579 -0.928 1
1 362 . 12 1 1 A 35 35 ARG HA H 35 3.649 3.905 -0.256 1
1 367 . 12 1 1 A 35 35 ARG CA C 35 56.778 59.182 -2.404 1
1 368 . 12 1 1 A 35 35 ARG CB C 35 26.892 29.934 -3.042 1
1 371 . 12 1 1 A 35 35 ARG N N 35 120.706 121.963 -1.257 1
1 372 . 12 1 1 A 36 36 LYS H H 36 7.074 7.722 -0.648 1
1 373 . 12 1 1 A 36 36 LYS HA H 36 3.840 3.874 -0.034 1
1 380 . 12 1 1 A 36 36 LYS CA C 36 56.288 59.200 -2.912 1
1 381 . 12 1 1 A 36 36 LYS CB C 36 30.091 32.097 -2.006 1
1 385 . 12 1 1 A 36 36 LYS N N 36 118.246 119.099 -0.853 1
1 386 . 12 1 1 A 37 37 MET H H 37 7.362 8.674 -1.312 1
1 387 . 12 1 1 A 37 37 MET HA H 37 3.958 3.918 0.039 1
1 395 . 12 1 1 A 37 37 MET CA C 37 54.972 58.659 -3.687 1
1 396 . 12 1 1 A 37 37 MET CB C 37 31.521 31.575 -0.054 1
1 398 . 12 1 1 A 37 37 MET N N 37 116.022 118.241 -2.219 1
1 399 . 12 1 1 A 38 38 GLN H H 38 6.836 8.546 -1.710 1
1 400 . 12 1 1 A 38 38 GLN HA H 38 3.455 4.121 -0.666 1
1 406 . 12 1 1 A 38 38 GLN CA C 38 55.938 57.597 -1.659 1
1 407 . 12 1 1 A 38 38 GLN CB C 38 25.312 27.239 -1.927 1
1 409 . 12 1 1 A 38 38 GLN N N 38 116.745 117.275 -0.530 1
1 411 . 12 1 1 A 39 39 ALA H H 39 7.636 7.133 0.502 1
1 412 . 12 1 1 A 39 39 ALA HA H 39 4.210 4.218 -0.008 1
1 416 . 12 1 1 A 39 39 ALA CA C 39 50.313 52.758 -2.445 1
1 417 . 12 1 1 A 39 39 ALA CB C 39 16.278 18.400 -2.122 1
1 418 . 12 1 1 A 39 39 ALA N N 39 118.576 121.766 -3.190 1
1 419 . 12 1 1 A 40 40 SER H H 40 8.246 7.744 0.502 1
1 420 . 12 1 1 A 40 40 SER HA H 40 4.681 4.898 -0.216 1
1 423 . 12 1 1 A 40 40 SER CA C 40 55.122 55.428 -0.306 1
1 424 . 12 1 1 A 40 40 SER CB C 40 60.938 65.207 -4.269 1
1 425 . 12 1 1 A 40 40 SER N N 40 119.184 113.991 5.193 1
1 426 . 12 1 1 A 41 41 PRO HA H 41 4.083 4.353 -0.270 1
1 432 . 12 1 1 A 41 41 PRO CA C 41 62.800 65.148 -2.348 1
1 434 . 12 1 1 A 42 42 GLU H H 42 9.832 8.382 1.450 1
1 435 . 12 1 1 A 42 42 GLU HA H 42 3.961 4.203 -0.242 1
1 440 . 12 1 1 A 42 42 GLU CA C 42 57.832 59.875 -2.043 1
1 441 . 12 1 1 A 42 42 GLU CB C 42 27.812 29.353 -1.541 1
1 443 . 12 1 1 A 42 42 GLU N N 42 115.590 117.806 -2.216 1
1 444 . 12 1 1 A 43 43 TYR H H 43 7.138 8.256 -1.119 1
1 445 . 12 1 1 A 43 43 TYR HA H 43 4.192 4.654 -0.462 1
1 452 . 12 1 1 A 43 43 TYR CA C 43 58.438 61.850 -3.412 1
1 453 . 12 1 1 A 43 43 TYR CB C 43 37.812 38.756 -0.944 1
1 456 . 12 1 1 A 43 43 TYR N N 43 118.651 121.475 -2.824 1
1 457 . 12 1 1 A 44 44 GLN H H 44 7.832 8.243 -0.411 1
1 458 . 12 1 1 A 44 44 GLN HA H 44 3.506 3.807 -0.301 1
1 465 . 12 1 1 A 44 44 GLN CA C 44 56.110 59.147 -3.037 1
1 466 . 12 1 1 A 44 44 GLN CB C 44 25.161 28.334 -3.173 1
1 468 . 12 1 1 A 44 44 GLN N N 44 117.515 118.509 -0.994 1
1 470 . 12 1 1 A 45 45 ASP H H 45 8.967 8.756 0.211 1
1 471 . 12 1 1 A 45 45 ASP HA H 45 4.224 4.339 -0.115 1
1 474 . 12 1 1 A 45 45 ASP CA C 45 54.407 57.305 -2.898 1
1 475 . 12 1 1 A 45 45 ASP CB C 45 37.694 41.958 -4.264 1
1 476 . 12 1 1 A 45 45 ASP N N 45 118.351 120.462 -2.111 1
1 477 . 12 1 1 A 46 46 TYR H H 46 6.841 7.959 -1.118 1
1 478 . 12 1 1 A 46 46 TYR HA H 46 3.775 4.101 -0.326 1
1 485 . 12 1 1 A 46 46 TYR CA C 46 60.316 61.001 -0.685 1
1 486 . 12 1 1 A 46 46 TYR CB C 46 36.452 38.752 -2.300 1
1 489 . 12 1 1 A 46 46 TYR N N 46 118.500 120.647 -2.147 1
1 490 . 12 1 1 A 47 47 VAL H H 47 8.125 7.675 0.450 1
1 491 . 12 1 1 A 47 47 VAL HA H 47 2.823 3.373 -0.550 1
1 499 . 12 1 1 A 47 47 VAL CA C 47 63.553 65.385 -1.832 1
1 500 . 12 1 1 A 47 47 VAL CB C 47 27.812 30.678 -2.866 1
1 503 . 12 1 1 A 47 47 VAL N N 47 117.616 119.599 -1.983 1
1 504 . 12 1 1 A 48 48 TYR H H 48 7.857 8.262 -0.405 1
1 505 . 12 1 1 A 48 48 TYR HA H 48 3.869 4.180 -0.311 1
1 512 . 12 1 1 A 48 48 TYR CA C 48 58.622 61.157 -2.535 1
1 513 . 12 1 1 A 48 48 TYR CB C 48 35.775 38.666 -2.891 1
1 516 . 12 1 1 A 48 48 TYR N N 48 121.176 121.923 -0.747 1
1 517 . 12 1 1 A 49 49 LEU H H 49 6.926 8.670 -1.744 1
1 518 . 12 1 1 A 49 49 LEU HA H 49 3.776 3.520 0.256 1
1 528 . 12 1 1 A 49 49 LEU CA C 49 54.688 58.018 -3.330 1
1 529 . 12 1 1 A 49 49 LEU CB C 49 40.938 41.597 -0.659 1
1 533 . 12 1 1 A 49 49 LEU N N 49 116.307 120.000 -3.693 1
1 534 . 12 1 1 A 50 50 GLU H H 50 7.894 7.602 0.292 1
1 535 . 12 1 1 A 50 50 GLU HA H 50 4.212 4.094 0.118 1
1 540 . 12 1 1 A 50 50 GLU CA C 50 53.616 57.754 -4.138 1
1 541 . 12 1 1 A 50 50 GLU CB C 50 28.924 30.181 -1.257 1
1 543 . 12 1 1 A 50 50 GLU N N 50 114.774 115.776 -1.002 1
1 544 . 12 1 1 A 51 51 GLY H H 51 7.768 7.030 0.738 1
1 545 . 12 1 1 A 51 51 GLY HA2 H 51 4.168 3.971 0.197 1
1 546 . 12 1 1 A 51 51 GLY HA3 H 51 3.770 3.980 -0.210 1
1 547 . 12 1 1 A 51 51 GLY CA C 51 42.188 45.007 -2.819 1
1 548 . 12 1 1 A 51 51 GLY N N 51 109.724 103.788 5.936 1
1 549 . 12 1 1 A 52 52 THR H H 52 8.230 8.761 -0.530 1
1 550 . 12 1 1 A 52 52 THR HA H 52 3.687 4.060 -0.373 1
1 555 . 12 1 1 A 52 52 THR CA C 52 62.813 65.966 -3.153 1
1 556 . 12 1 1 A 52 52 THR CB C 52 66.564 68.941 -2.377 1
1 558 . 12 1 1 A 52 52 THR N N 52 111.611 113.832 -2.221 1
1 559 . 12 1 1 A 53 53 GLN H H 53 8.342 7.640 0.702 1
1 560 . 12 1 1 A 53 53 GLN HA H 53 3.784 4.027 -0.243 1
1 566 . 12 1 1 A 53 53 GLN CA C 53 57.117 58.882 -1.765 1
1 567 . 12 1 1 A 53 53 GLN CB C 53 24.521 28.586 -4.065 1
1 569 . 12 1 1 A 53 53 GLN N N 53 122.288 119.767 2.521 1
1 571 . 12 1 1 A 54 54 LYS H H 54 8.236 7.856 0.381 1
1 572 . 12 1 1 A 54 54 LYS HA H 54 3.784 3.977 -0.193 1
1 579 . 12 1 1 A 54 54 LYS CA C 54 57.230 59.172 -1.942 1
1 580 . 12 1 1 A 54 54 LYS CB C 54 28.437 32.135 -3.698 1
1 584 . 12 1 1 A 54 54 LYS N N 54 121.397 119.139 2.258 1
1 585 . 12 1 1 A 55 55 ALA H H 55 7.207 7.807 -0.601 1
1 586 . 12 1 1 A 55 55 ALA HA H 55 3.893 4.112 -0.219 1
1 590 . 12 1 1 A 55 55 ALA CA C 55 49.063 55.127 -6.064 1
1 591 . 12 1 1 A 55 55 ALA CB C 55 16.562 18.119 -1.557 1
1 592 . 12 1 1 A 55 55 ALA N N 55 121.624 122.695 -1.071 1
1 593 . 12 1 1 A 56 56 LYS H H 56 8.199 7.936 0.263 1
1 594 . 12 1 1 A 56 56 LYS HA H 56 2.316 2.577 -0.261 1
1 602 . 12 1 1 A 56 56 LYS CA C 56 56.514 58.990 -2.476 1
1 603 . 12 1 1 A 56 56 LYS CB C 56 29.527 31.840 -2.313 1
1 607 . 12 1 1 A 56 56 LYS N N 56 124.153 117.817 6.336 1
1 608 . 12 1 1 A 57 57 LYS H H 57 7.801 8.203 -0.402 1
1 609 . 12 1 1 A 57 57 LYS HA H 57 3.696 4.035 -0.339 1
1 616 . 12 1 1 A 57 57 LYS CA C 57 57.305 59.255 -1.950 1
1 617 . 12 1 1 A 57 57 LYS CB C 57 29.790 32.108 -2.318 1
1 621 . 12 1 1 A 57 57 LYS N N 57 120.226 119.293 0.933 1
1 622 . 12 1 1 A 58 58 LEU H H 58 7.748 8.111 -0.363 1
1 623 . 12 1 1 A 58 58 LEU HA H 58 4.014 4.056 -0.042 1
1 633 . 12 1 1 A 58 58 LEU CA C 58 55.912 57.915 -2.003 1
1 634 . 12 1 1 A 58 58 LEU CB C 58 39.313 42.049 -2.736 1
1 638 . 12 1 1 A 58 58 LEU N N 58 118.589 121.049 -2.460 1
1 639 . 12 1 1 A 59 59 PHE H H 59 7.587 8.889 -1.302 1
1 640 . 12 1 1 A 59 59 PHE HA H 59 4.181 4.203 -0.022 1
1 648 . 12 1 1 A 59 59 PHE CA C 59 59.036 61.531 -2.495 1
1 649 . 12 1 1 A 59 59 PHE CB C 59 36.340 38.919 -2.579 1
1 653 . 12 1 1 A 59 59 PHE N N 59 122.478 119.302 3.176 1
1 654 . 12 1 1 A 60 60 LEU H H 60 8.576 9.024 -0.448 1
1 655 . 12 1 1 A 60 60 LEU HA H 60 3.528 3.640 -0.112 1
1 665 . 12 1 1 A 60 60 LEU CA C 60 55.084 58.053 -2.969 1
1 666 . 12 1 1 A 60 60 LEU CB C 60 38.259 41.330 -3.071 1
1 670 . 12 1 1 A 60 60 LEU N N 60 120.969 119.534 1.435 1
1 671 . 12 1 1 A 61 61 GLN H H 61 7.956 8.291 -0.335 1
1 672 . 12 1 1 A 61 61 GLN HA H 61 3.892 3.889 0.003 1
1 679 . 12 1 1 A 61 61 GLN CA C 61 56.326 58.963 -2.637 1
1 680 . 12 1 1 A 61 61 GLN CB C 61 25.581 28.444 -2.863 1
1 682 . 12 1 1 A 61 61 GLN N N 61 119.668 116.464 3.204 1
1 684 . 12 1 1 A 62 62 HIS H H 62 7.487 8.109 -0.622 1
1 685 . 12 1 1 A 62 62 HIS HA H 62 4.130 4.141 -0.011 1
1 690 . 12 1 1 A 62 62 HIS CA C 62 57.531 59.709 -2.178 1
1 691 . 12 1 1 A 62 62 HIS CB C 62 28.134 29.782 -1.648 1
1 694 . 12 1 1 A 62 62 HIS N N 62 121.475 119.304 2.171 1
1 695 . 12 1 1 A 63 63 ILE H H 63 7.747 8.385 -0.638 1
1 696 . 12 1 1 A 63 63 ILE HA H 63 3.297 3.395 -0.098 1
1 706 . 12 1 1 A 63 63 ILE CA C 63 60.408 65.624 -5.215 1
1 707 . 12 1 1 A 63 63 ILE CB C 63 33.437 37.545 -4.108 1
1 710 . 12 1 1 A 63 63 ILE N N 63 116.455 119.713 -3.258 1
1 711 . 12 1 1 A 64 64 HIS H H 64 7.703 8.344 -0.641 1
1 712 . 12 1 1 A 64 64 HIS HA H 64 3.983 4.045 -0.062 1
1 718 . 12 1 1 A 64 64 HIS CA C 64 57.832 60.106 -2.274 1
1 719 . 12 1 1 A 64 64 HIS CB C 64 27.382 29.642 -2.260 1
1 722 . 12 1 1 A 64 64 HIS N N 64 118.476 119.255 -0.779 1
1 723 . 12 1 1 A 65 65 ARG H H 65 7.501 8.407 -0.906 1
1 724 . 12 1 1 A 65 65 ARG HA H 65 3.789 4.144 -0.355 1
1 731 . 12 1 1 A 65 65 ARG CA C 65 56.966 59.163 -2.197 1
1 732 . 12 1 1 A 65 65 ARG CB C 65 27.194 29.682 -2.488 1
1 735 . 12 1 1 A 65 65 ARG N N 65 119.155 118.869 0.286 1
1 736 . 12 1 1 A 66 66 LEU H H 66 7.708 8.905 -1.197 1
1 737 . 12 1 1 A 66 66 LEU HA H 66 3.791 3.856 -0.065 1
1 747 . 12 1 1 A 66 66 LEU CA C 66 54.143 57.831 -3.688 1
1 748 . 12 1 1 A 66 66 LEU CB C 66 39.688 41.927 -2.239 1
1 752 . 12 1 1 A 66 66 LEU N N 66 118.791 120.386 -1.595 1
1 753 . 12 1 1 A 67 67 LYS H H 67 7.573 7.765 -0.192 1
1 754 . 12 1 1 A 67 67 LYS HA H 67 3.358 4.083 -0.725 1
1 761 . 12 1 1 A 67 67 LYS CA C 67 55.255 59.548 -4.293 1
1 762 . 12 1 1 A 67 67 LYS CB C 67 30.352 31.761 -1.409 1
1 766 . 12 1 1 A 67 67 LYS N N 67 118.232 117.185 1.047 1
1 767 . 12 1 1 A 68 68 HIS H H 68 7.398 8.312 -0.914 1
1 768 . 12 1 1 A 68 68 HIS HA H 68 4.287 4.806 -0.519 1
1 774 . 12 1 1 A 68 68 HIS CA C 68 53.438 53.437 0.001 1
1 775 . 12 1 1 A 68 68 HIS CB C 68 27.156 29.537 -2.381 1
1 778 . 12 1 1 A 68 68 HIS N N 68 116.826 113.028 3.798 1
1 17 . 13 1 1 A 6 6 GLN H H 6 8.338 8.116 0.222 1
1 18 . 13 1 1 A 6 6 GLN HA H 6 4.087 4.072 0.015 1
1 23 . 13 1 1 A 6 6 GLN CA C 6 54.294 58.174 -3.880 1
1 24 . 13 1 1 A 6 6 GLN CB C 6 25.937 27.570 -1.633 1
1 26 . 13 1 1 A 7 7 GLN H H 7 8.102 8.222 -0.120 1
1 27 . 13 1 1 A 7 7 GLN HA H 7 4.022 4.174 -0.152 1
1 33 . 13 1 1 A 7 7 GLN CA C 7 54.971 58.807 -3.836 1
1 34 . 13 1 1 A 7 7 GLN CB C 7 26.139 28.098 -1.959 1
1 36 . 13 1 1 A 7 7 GLN N N 7 121.077 119.471 1.606 1
1 38 . 13 1 1 A 8 8 ILE H H 8 7.931 7.916 0.015 1
1 39 . 13 1 1 A 8 8 ILE HA H 8 3.707 3.873 -0.166 1
1 49 . 13 1 1 A 8 8 ILE CA C 8 60.313 64.210 -3.897 1
1 50 . 13 1 1 A 8 8 ILE CB C 8 35.549 37.059 -1.510 1
1 54 . 13 1 1 A 8 8 ILE N N 8 121.658 119.688 1.970 1
1 55 . 13 1 1 A 9 9 ALA H H 9 8.066 7.856 0.210 1
1 56 . 13 1 1 A 9 9 ALA HA H 9 4.154 4.375 -0.221 1
1 60 . 13 1 1 A 9 9 ALA CA C 9 51.535 54.390 -2.854 1
1 61 . 13 1 1 A 9 9 ALA CB C 9 16.982 19.201 -2.220 1
1 62 . 13 1 1 A 9 9 ALA N N 9 125.451 123.614 1.837 1
1 63 . 13 1 1 A 10 10 THR H H 10 8.341 8.141 0.200 1
1 64 . 13 1 1 A 10 10 THR HA H 10 4.080 4.085 -0.005 1
1 69 . 13 1 1 A 10 10 THR CA C 10 60.938 64.998 -4.060 1
1 70 . 13 1 1 A 10 10 THR CB C 10 67.814 68.490 -0.676 1
1 72 . 13 1 1 A 10 10 THR N N 10 113.598 111.532 2.066 1
1 73 . 13 1 1 A 11 11 ALA H H 11 8.169 8.491 -0.322 1
1 74 . 13 1 1 A 11 11 ALA HA H 11 3.978 4.011 -0.033 1
1 78 . 13 1 1 A 11 11 ALA CA C 11 52.638 55.457 -2.819 1
1 79 . 13 1 1 A 11 11 ALA CB C 11 15.450 18.495 -3.045 1
1 80 . 13 1 1 A 12 12 LYS H H 12 8.742 8.111 0.630 1
1 81 . 13 1 1 A 12 12 LYS HA H 12 3.433 3.505 -0.072 1
1 89 . 13 1 1 A 12 12 LYS CA C 12 57.832 59.582 -1.750 1
1 90 . 13 1 1 A 12 12 LYS CB C 12 29.978 32.141 -2.163 1
1 93 . 13 1 1 A 12 12 LYS N N 12 121.423 118.191 3.232 1
1 94 . 13 1 1 A 13 13 ASP H H 13 7.689 8.630 -0.942 1
1 95 . 13 1 1 A 13 13 ASP HA H 13 4.026 4.325 -0.299 1
1 98 . 13 1 1 A 13 13 ASP CA C 13 54.896 57.579 -2.683 1
1 99 . 13 1 1 A 13 13 ASP CB C 13 37.904 41.797 -3.893 1
1 100 . 13 1 1 A 13 13 ASP N N 13 119.535 119.718 -0.183 1
1 101 . 13 1 1 A 14 14 LYS H H 14 7.806 8.256 -0.451 1
1 102 . 13 1 1 A 14 14 LYS HA H 14 3.803 4.213 -0.410 1
1 105 . 13 1 1 A 14 14 LYS CA C 14 56.563 58.899 -2.336 1
1 106 . 13 1 1 A 14 14 LYS N N 14 117.395 119.911 -2.516 1
1 107 . 13 1 1 A 15 15 TYR H H 15 7.867 8.391 -0.523 1
1 108 . 13 1 1 A 15 15 TYR HA H 15 4.038 4.188 -0.149 1
1 115 . 13 1 1 A 15 15 TYR CA C 15 58.284 61.567 -3.283 1
1 116 . 13 1 1 A 15 15 TYR CB C 15 35.361 38.529 -3.168 1
1 119 . 13 1 1 A 15 15 TYR N N 15 120.763 121.118 -0.355 1
1 120 . 13 1 1 A 16 16 GLU H H 16 8.575 9.226 -0.651 1
1 121 . 13 1 1 A 16 16 GLU HA H 16 3.178 3.887 -0.710 1
1 126 . 13 1 1 A 16 16 GLU CA C 16 58.622 59.228 -0.606 1
1 127 . 13 1 1 A 16 16 GLU CB C 16 26.562 29.305 -2.743 1
1 129 . 13 1 1 A 16 16 GLU N N 16 119.244 117.183 2.061 1
1 130 . 13 1 1 A 17 17 TRP H H 17 8.082 7.573 0.509 1
1 131 . 13 1 1 A 17 17 TRP HA H 17 4.124 4.556 -0.432 1
1 140 . 13 1 1 A 17 17 TRP CA C 17 57.229 60.884 -3.655 1
1 141 . 13 1 1 A 17 17 TRP CB C 17 25.612 29.685 -4.073 1
1 147 . 13 1 1 A 17 17 TRP N N 17 120.589 122.225 -1.636 1
1 149 . 13 1 1 A 18 18 LEU H H 18 7.619 8.537 -0.919 1
1 150 . 13 1 1 A 18 18 LEU HA H 18 3.553 2.929 0.624 1
1 160 . 13 1 1 A 18 18 LEU CA C 18 55.837 57.696 -1.859 1
1 161 . 13 1 1 A 18 18 LEU CB C 18 38.786 41.226 -2.440 1
1 165 . 13 1 1 A 18 18 LEU N N 18 122.925 119.462 3.463 1
1 166 . 13 1 1 A 19 19 VAL H H 19 8.069 7.957 0.112 1
1 167 . 13 1 1 A 19 19 VAL HA H 19 3.060 3.448 -0.388 1
1 175 . 13 1 1 A 19 19 VAL CA C 19 64.268 66.776 -2.508 1
1 176 . 13 1 1 A 19 19 VAL CB C 19 28.849 31.332 -2.483 1
1 179 . 13 1 1 A 19 19 VAL N N 19 118.738 118.472 0.266 1
1 180 . 13 1 1 A 20 20 SER H H 20 7.380 7.609 -0.230 1
1 181 . 13 1 1 A 20 20 SER HA H 20 3.569 4.411 -0.842 1
1 184 . 13 1 1 A 20 20 SER CA C 20 59.063 60.510 -1.447 1
1 185 . 13 1 1 A 20 20 SER CB C 20 60.354 62.771 -2.417 1
1 186 . 13 1 1 A 20 20 SER N N 20 111.215 113.756 -2.541 1
1 187 . 13 1 1 A 21 21 ARG H H 21 7.290 8.152 -0.861 1
1 188 . 13 1 1 A 21 21 ARG HA H 21 3.860 4.130 -0.270 1
1 195 . 13 1 1 A 21 21 ARG CA C 21 55.197 57.974 -2.777 1
1 196 . 13 1 1 A 21 21 ARG CB C 21 28.021 29.198 -1.177 1
1 199 . 13 1 1 A 21 21 ARG N N 21 119.898 121.293 -1.395 1
1 200 . 13 1 1 A 22 22 ILE H H 22 7.695 7.543 0.152 1
1 201 . 13 1 1 A 22 22 ILE HA H 22 3.900 4.013 -0.113 1
1 211 . 13 1 1 A 22 22 ILE CA C 22 59.337 63.079 -3.742 1
1 212 . 13 1 1 A 22 22 ILE CB C 22 36.562 38.529 -1.967 1
1 216 . 13 1 1 A 22 22 ILE N N 22 116.745 118.446 -1.701 1
1 217 . 13 1 1 A 23 23 VAL H H 23 7.969 7.571 0.398 1
1 218 . 13 1 1 A 23 23 VAL HA H 23 3.887 4.160 -0.273 1
1 226 . 13 1 1 A 23 23 VAL CA C 23 60.956 63.260 -2.304 1
1 227 . 13 1 1 A 23 23 VAL CB C 23 28.307 31.236 -2.929 1
1 230 . 13 1 1 A 23 23 VAL N N 23 122.152 120.746 1.406 1
1 231 . 13 1 1 A 24 24 LYS H H 24 9.007 8.640 0.366 1
1 232 . 13 1 1 A 24 24 LYS HA H 24 4.285 4.419 -0.134 1
1 239 . 13 1 1 A 24 24 LYS CA C 24 52.838 58.343 -5.505 1
1 240 . 13 1 1 A 24 24 LYS CB C 24 30.937 32.770 -1.833 1
1 244 . 13 1 1 A 24 24 LYS N N 24 127.138 127.741 -0.603 1
1 245 . 13 1 1 A 25 25 ASN H H 25 7.936 7.998 -0.062 1
1 246 . 13 1 1 A 25 25 ASN HA H 25 4.727 4.565 0.162 1
1 251 . 13 1 1 A 25 25 ASN CA C 25 49.688 51.955 -2.267 1
1 252 . 13 1 1 A 25 25 ASN CB C 25 38.574 37.103 1.471 1
1 253 . 13 1 1 A 25 25 ASN N N 25 116.900 113.451 3.449 1
1 255 . 13 1 1 A 26 26 HIS H H 26 8.035 8.158 -0.123 1
1 256 . 13 1 1 A 26 26 HIS HA H 26 4.096 4.299 -0.203 1
1 262 . 13 1 1 A 26 26 HIS CA C 26 54.755 57.394 -2.639 1
1 263 . 13 1 1 A 26 26 HIS CB C 26 27.832 27.565 0.267 1
1 266 . 13 1 1 A 26 26 HIS N N 26 117.740 117.300 0.440 1
1 267 . 13 1 1 A 27 27 ASN H H 27 7.949 7.713 0.236 1
1 268 . 13 1 1 A 27 27 ASN HA H 27 4.537 4.879 -0.342 1
1 273 . 13 1 1 A 27 27 ASN CA C 27 50.304 52.861 -2.557 1
1 274 . 13 1 1 A 27 27 ASN CB C 27 35.850 38.915 -3.065 1
1 275 . 13 1 1 A 27 27 ASN N N 27 117.497 117.189 0.308 1
1 277 . 13 1 1 A 28 28 GLU H H 28 7.020 7.910 -0.890 1
1 278 . 13 1 1 A 28 28 GLU HA H 28 4.171 4.826 -0.655 1
1 283 . 13 1 1 A 28 28 GLU CA C 28 54.971 54.930 0.041 1
1 284 . 13 1 1 A 28 28 GLU CB C 28 28.398 31.832 -3.434 1
1 286 . 13 1 1 A 28 28 GLU N N 28 120.910 118.084 2.826 1
1 287 . 13 1 1 A 29 29 ASN H H 29 8.539 8.729 -0.190 1
1 288 . 13 1 1 A 29 29 ASN HA H 29 5.055 5.540 -0.485 1
1 293 . 13 1 1 A 29 29 ASN CA C 29 49.375 51.997 -2.622 1
1 294 . 13 1 1 A 29 29 ASN CB C 29 38.824 41.328 -2.504 1
1 295 . 13 1 1 A 29 29 ASN N N 29 118.857 117.719 1.138 1
1 297 . 13 1 1 A 30 30 TRP H H 30 9.219 9.041 0.177 1
1 298 . 13 1 1 A 30 30 TRP HA H 30 3.637 3.113 0.524 1
1 307 . 13 1 1 A 30 30 TRP CA C 30 55.988 61.071 -5.083 1
1 308 . 13 1 1 A 30 30 TRP CB C 30 27.757 30.157 -2.400 1
1 314 . 13 1 1 A 30 30 TRP N N 30 122.308 125.949 -3.641 1
1 316 . 13 1 1 A 31 31 LEU H H 31 8.329 8.424 -0.095 1
1 317 . 13 1 1 A 31 31 LEU HA H 31 3.302 3.324 -0.022 1
1 327 . 13 1 1 A 31 31 LEU CA C 31 55.874 57.589 -1.715 1
1 328 . 13 1 1 A 31 31 LEU CB C 31 38.372 41.863 -3.491 1
1 332 . 13 1 1 A 31 31 LEU N N 31 120.479 119.889 0.590 1
1 333 . 13 1 1 A 32 32 SER H H 32 7.521 7.800 -0.280 1
1 334 . 13 1 1 A 32 32 SER HA H 32 3.893 3.942 -0.049 1
1 337 . 13 1 1 A 32 32 SER CA C 32 58.245 62.525 -4.280 1
1 338 . 13 1 1 A 32 32 SER CB C 32 60.316 62.934 -2.618 1
1 339 . 13 1 1 A 32 32 SER N N 32 112.204 113.645 -1.441 1
1 340 . 13 1 1 A 33 33 VAL H H 33 7.873 7.933 -0.059 1
1 341 . 13 1 1 A 33 33 VAL HA H 33 3.293 3.797 -0.504 1
1 349 . 13 1 1 A 33 33 VAL CA C 33 63.629 64.933 -1.304 1
1 350 . 13 1 1 A 33 33 VAL CB C 33 29.000 31.125 -2.125 1
1 353 . 13 1 1 A 33 33 VAL N N 33 121.321 118.473 2.848 1
1 354 . 13 1 1 A 34 34 SER H H 34 8.213 7.991 0.223 1
1 355 . 13 1 1 A 34 34 SER HA H 34 2.777 3.628 -0.851 1
1 358 . 13 1 1 A 34 34 SER CA C 34 59.063 61.430 -2.367 1
1 359 . 13 1 1 A 34 34 SER CB C 34 58.438 62.316 -3.878 1
1 360 . 13 1 1 A 34 34 SER N N 34 116.084 117.463 -1.379 1
1 361 . 13 1 1 A 35 35 ARG H H 35 6.651 7.596 -0.945 1
1 362 . 13 1 1 A 35 35 ARG HA H 35 3.649 3.959 -0.310 1
1 367 . 13 1 1 A 35 35 ARG CA C 35 56.778 59.047 -2.269 1
1 368 . 13 1 1 A 35 35 ARG CB C 35 26.892 29.876 -2.984 1
1 371 . 13 1 1 A 35 35 ARG N N 35 120.706 121.913 -1.207 1
1 372 . 13 1 1 A 36 36 LYS H H 36 7.074 7.668 -0.594 1
1 373 . 13 1 1 A 36 36 LYS HA H 36 3.840 3.934 -0.094 1
1 380 . 13 1 1 A 36 36 LYS CA C 36 56.288 59.250 -2.962 1
1 381 . 13 1 1 A 36 36 LYS CB C 36 30.091 32.242 -2.151 1
1 385 . 13 1 1 A 36 36 LYS N N 36 118.246 119.149 -0.903 1
1 386 . 13 1 1 A 37 37 MET H H 37 7.362 8.884 -1.522 1
1 387 . 13 1 1 A 37 37 MET HA H 37 3.958 3.913 0.045 1
1 395 . 13 1 1 A 37 37 MET CA C 37 54.972 58.402 -3.430 1
1 396 . 13 1 1 A 37 37 MET CB C 37 31.521 31.025 0.496 1
1 398 . 13 1 1 A 37 37 MET N N 37 116.022 118.338 -2.316 1
1 399 . 13 1 1 A 38 38 GLN H H 38 6.836 8.276 -1.440 1
1 400 . 13 1 1 A 38 38 GLN HA H 38 3.455 3.490 -0.035 1
1 406 . 13 1 1 A 38 38 GLN CA C 38 55.938 57.711 -1.773 1
1 407 . 13 1 1 A 38 38 GLN CB C 38 25.312 27.466 -2.154 1
1 409 . 13 1 1 A 38 38 GLN N N 38 116.745 117.316 -0.571 1
1 411 . 13 1 1 A 39 39 ALA H H 39 7.636 7.417 0.219 1
1 412 . 13 1 1 A 39 39 ALA HA H 39 4.210 4.221 -0.011 1
1 416 . 13 1 1 A 39 39 ALA CA C 39 50.313 52.988 -2.675 1
1 417 . 13 1 1 A 39 39 ALA CB C 39 16.278 18.819 -2.541 1
1 418 . 13 1 1 A 39 39 ALA N N 39 118.576 121.571 -2.995 1
1 419 . 13 1 1 A 40 40 SER H H 40 8.246 7.868 0.378 1
1 420 . 13 1 1 A 40 40 SER HA H 40 4.681 4.878 -0.197 1
1 423 . 13 1 1 A 40 40 SER CA C 40 55.122 55.264 -0.142 1
1 424 . 13 1 1 A 40 40 SER CB C 40 60.938 64.391 -3.453 1
1 425 . 13 1 1 A 40 40 SER N N 40 119.184 113.693 5.491 1
1 426 . 13 1 1 A 41 41 PRO HA H 41 4.083 4.323 -0.240 1
1 432 . 13 1 1 A 41 41 PRO CA C 41 62.800 65.525 -2.725 1
1 434 . 13 1 1 A 42 42 GLU H H 42 9.832 8.412 1.419 1
1 435 . 13 1 1 A 42 42 GLU HA H 42 3.961 4.218 -0.257 1
1 440 . 13 1 1 A 42 42 GLU CA C 42 57.832 59.680 -1.848 1
1 441 . 13 1 1 A 42 42 GLU CB C 42 27.812 29.495 -1.683 1
1 443 . 13 1 1 A 42 42 GLU N N 42 115.590 117.835 -2.245 1
1 444 . 13 1 1 A 43 43 TYR H H 43 7.138 8.365 -1.228 1
1 445 . 13 1 1 A 43 43 TYR HA H 43 4.192 4.638 -0.446 1
1 452 . 13 1 1 A 43 43 TYR CA C 43 58.438 61.831 -3.393 1
1 453 . 13 1 1 A 43 43 TYR CB C 43 37.812 38.802 -0.990 1
1 456 . 13 1 1 A 43 43 TYR N N 43 118.651 121.830 -3.179 1
1 457 . 13 1 1 A 44 44 GLN H H 44 7.832 8.217 -0.385 1
1 458 . 13 1 1 A 44 44 GLN HA H 44 3.506 3.837 -0.331 1
1 465 . 13 1 1 A 44 44 GLN CA C 44 56.110 59.068 -2.958 1
1 466 . 13 1 1 A 44 44 GLN CB C 44 25.161 28.606 -3.445 1
1 468 . 13 1 1 A 44 44 GLN N N 44 117.515 118.953 -1.438 1
1 470 . 13 1 1 A 45 45 ASP H H 45 8.967 8.692 0.275 1
1 471 . 13 1 1 A 45 45 ASP HA H 45 4.224 4.333 -0.109 1
1 474 . 13 1 1 A 45 45 ASP CA C 45 54.407 57.122 -2.715 1
1 475 . 13 1 1 A 45 45 ASP CB C 45 37.694 41.360 -3.666 1
1 476 . 13 1 1 A 45 45 ASP N N 45 118.351 120.467 -2.116 1
1 477 . 13 1 1 A 46 46 TYR H H 46 6.841 7.820 -0.979 1
1 478 . 13 1 1 A 46 46 TYR HA H 46 3.775 4.161 -0.386 1
1 485 . 13 1 1 A 46 46 TYR CA C 46 60.316 60.990 -0.674 1
1 486 . 13 1 1 A 46 46 TYR CB C 46 36.452 38.622 -2.170 1
1 489 . 13 1 1 A 46 46 TYR N N 46 118.500 120.611 -2.111 1
1 490 . 13 1 1 A 47 47 VAL H H 47 8.125 7.792 0.333 1
1 491 . 13 1 1 A 47 47 VAL HA H 47 2.823 3.349 -0.526 1
1 499 . 13 1 1 A 47 47 VAL CA C 47 63.553 65.621 -2.068 1
1 500 . 13 1 1 A 47 47 VAL CB C 47 27.812 30.857 -3.045 1
1 503 . 13 1 1 A 47 47 VAL N N 47 117.616 119.668 -2.052 1
1 504 . 13 1 1 A 48 48 TYR H H 48 7.857 8.254 -0.397 1
1 505 . 13 1 1 A 48 48 TYR HA H 48 3.869 4.185 -0.316 1
1 512 . 13 1 1 A 48 48 TYR CA C 48 58.622 61.271 -2.649 1
1 513 . 13 1 1 A 48 48 TYR CB C 48 35.775 38.779 -3.004 1
1 516 . 13 1 1 A 48 48 TYR N N 48 121.176 121.932 -0.756 1
1 517 . 13 1 1 A 49 49 LEU H H 49 6.926 8.432 -1.506 1
1 518 . 13 1 1 A 49 49 LEU HA H 49 3.776 3.568 0.207 1
1 528 . 13 1 1 A 49 49 LEU CA C 49 54.688 58.219 -3.531 1
1 529 . 13 1 1 A 49 49 LEU CB C 49 40.938 41.665 -0.727 1
1 533 . 13 1 1 A 49 49 LEU N N 49 116.307 120.092 -3.785 1
1 534 . 13 1 1 A 50 50 GLU H H 50 7.894 7.728 0.167 1
1 535 . 13 1 1 A 50 50 GLU HA H 50 4.212 4.079 0.133 1
1 540 . 13 1 1 A 50 50 GLU CA C 50 53.616 57.725 -4.109 1
1 541 . 13 1 1 A 50 50 GLU CB C 50 28.924 29.290 -0.366 1
1 543 . 13 1 1 A 50 50 GLU N N 50 114.774 115.687 -0.913 1
1 544 . 13 1 1 A 51 51 GLY H H 51 7.768 6.995 0.773 1
1 545 . 13 1 1 A 51 51 GLY HA2 H 51 4.168 4.008 0.160 1
1 546 . 13 1 1 A 51 51 GLY HA3 H 51 3.770 4.018 -0.248 1
1 547 . 13 1 1 A 51 51 GLY CA C 51 42.188 44.911 -2.723 1
1 548 . 13 1 1 A 51 51 GLY N N 51 109.724 103.862 5.862 1
1 549 . 13 1 1 A 52 52 THR H H 52 8.230 8.829 -0.599 1
1 550 . 13 1 1 A 52 52 THR HA H 52 3.687 4.067 -0.380 1
1 555 . 13 1 1 A 52 52 THR CA C 52 62.813 65.794 -2.981 1
1 556 . 13 1 1 A 52 52 THR CB C 52 66.564 68.807 -2.243 1
1 558 . 13 1 1 A 52 52 THR N N 52 111.611 114.347 -2.736 1
1 559 . 13 1 1 A 53 53 GLN H H 53 8.342 7.612 0.730 1
1 560 . 13 1 1 A 53 53 GLN HA H 53 3.784 4.102 -0.318 1
1 566 . 13 1 1 A 53 53 GLN CA C 53 57.117 58.844 -1.727 1
1 567 . 13 1 1 A 53 53 GLN CB C 53 24.521 28.575 -4.054 1
1 569 . 13 1 1 A 53 53 GLN N N 53 122.288 119.927 2.361 1
1 571 . 13 1 1 A 54 54 LYS H H 54 8.236 7.875 0.361 1
1 572 . 13 1 1 A 54 54 LYS HA H 54 3.784 3.984 -0.200 1
1 579 . 13 1 1 A 54 54 LYS CA C 54 57.230 59.260 -2.030 1
1 580 . 13 1 1 A 54 54 LYS CB C 54 28.437 32.322 -3.885 1
1 584 . 13 1 1 A 54 54 LYS N N 54 121.397 119.012 2.385 1
1 585 . 13 1 1 A 55 55 ALA H H 55 7.207 8.070 -0.864 1
1 586 . 13 1 1 A 55 55 ALA HA H 55 3.893 4.084 -0.191 1
1 590 . 13 1 1 A 55 55 ALA CA C 55 49.063 55.040 -5.977 1
1 591 . 13 1 1 A 55 55 ALA CB C 55 16.562 18.357 -1.795 1
1 592 . 13 1 1 A 55 55 ALA N N 55 121.624 122.482 -0.858 1
1 593 . 13 1 1 A 56 56 LYS H H 56 8.199 7.812 0.387 1
1 594 . 13 1 1 A 56 56 LYS HA H 56 2.316 2.380 -0.064 1
1 602 . 13 1 1 A 56 56 LYS CA C 56 56.514 58.838 -2.324 1
1 603 . 13 1 1 A 56 56 LYS CB C 56 29.527 31.592 -2.065 1
1 607 . 13 1 1 A 56 56 LYS N N 56 124.153 117.756 6.397 1
1 608 . 13 1 1 A 57 57 LYS H H 57 7.801 8.127 -0.326 1
1 609 . 13 1 1 A 57 57 LYS HA H 57 3.696 4.026 -0.330 1
1 616 . 13 1 1 A 57 57 LYS CA C 57 57.305 59.299 -1.994 1
1 617 . 13 1 1 A 57 57 LYS CB C 57 29.790 32.171 -2.381 1
1 621 . 13 1 1 A 57 57 LYS N N 57 120.226 119.362 0.864 1
1 622 . 13 1 1 A 58 58 LEU H H 58 7.748 8.200 -0.451 1
1 623 . 13 1 1 A 58 58 LEU HA H 58 4.014 4.047 -0.033 1
1 633 . 13 1 1 A 58 58 LEU CA C 58 55.912 57.926 -2.014 1
1 634 . 13 1 1 A 58 58 LEU CB C 58 39.313 42.144 -2.831 1
1 638 . 13 1 1 A 58 58 LEU N N 58 118.589 120.911 -2.322 1
1 639 . 13 1 1 A 59 59 PHE H H 59 7.587 8.538 -0.951 1
1 640 . 13 1 1 A 59 59 PHE HA H 59 4.181 4.193 -0.012 1
1 648 . 13 1 1 A 59 59 PHE CA C 59 59.036 61.467 -2.431 1
1 649 . 13 1 1 A 59 59 PHE CB C 59 36.340 38.806 -2.466 1
1 653 . 13 1 1 A 59 59 PHE N N 59 122.478 119.203 3.275 1
1 654 . 13 1 1 A 60 60 LEU H H 60 8.576 8.848 -0.272 1
1 655 . 13 1 1 A 60 60 LEU HA H 60 3.528 3.608 -0.080 1
1 665 . 13 1 1 A 60 60 LEU CA C 60 55.084 58.099 -3.015 1
1 666 . 13 1 1 A 60 60 LEU CB C 60 38.259 41.598 -3.339 1
1 670 . 13 1 1 A 60 60 LEU N N 60 120.969 119.573 1.396 1
1 671 . 13 1 1 A 61 61 GLN H H 61 7.956 8.360 -0.404 1
1 672 . 13 1 1 A 61 61 GLN HA H 61 3.892 3.898 -0.006 1
1 679 . 13 1 1 A 61 61 GLN CA C 61 56.326 59.086 -2.760 1
1 680 . 13 1 1 A 61 61 GLN CB C 61 25.581 28.299 -2.718 1
1 682 . 13 1 1 A 61 61 GLN N N 61 119.668 116.605 3.063 1
1 684 . 13 1 1 A 62 62 HIS H H 62 7.487 7.984 -0.497 1
1 685 . 13 1 1 A 62 62 HIS HA H 62 4.130 4.274 -0.144 1
1 690 . 13 1 1 A 62 62 HIS CA C 62 57.531 59.974 -2.443 1
1 691 . 13 1 1 A 62 62 HIS CB C 62 28.134 29.652 -1.518 1
1 694 . 13 1 1 A 62 62 HIS N N 62 121.475 119.306 2.169 1
1 695 . 13 1 1 A 63 63 ILE H H 63 7.747 8.533 -0.786 1
1 696 . 13 1 1 A 63 63 ILE HA H 63 3.297 3.407 -0.110 1
1 706 . 13 1 1 A 63 63 ILE CA C 63 60.408 65.517 -5.109 1
1 707 . 13 1 1 A 63 63 ILE CB C 63 33.437 37.867 -4.430 1
1 710 . 13 1 1 A 63 63 ILE N N 63 116.455 119.904 -3.449 1
1 711 . 13 1 1 A 64 64 HIS H H 64 7.703 8.355 -0.652 1
1 712 . 13 1 1 A 64 64 HIS HA H 64 3.983 4.048 -0.065 1
1 718 . 13 1 1 A 64 64 HIS CA C 64 57.832 60.407 -2.575 1
1 719 . 13 1 1 A 64 64 HIS CB C 64 27.382 29.788 -2.406 1
1 722 . 13 1 1 A 64 64 HIS N N 64 118.476 118.988 -0.512 1
1 723 . 13 1 1 A 65 65 ARG H H 65 7.501 8.179 -0.678 1
1 724 . 13 1 1 A 65 65 ARG HA H 65 3.789 3.968 -0.179 1
1 731 . 13 1 1 A 65 65 ARG CA C 65 56.966 59.704 -2.738 1
1 732 . 13 1 1 A 65 65 ARG CB C 65 27.194 29.934 -2.740 1
1 735 . 13 1 1 A 65 65 ARG N N 65 119.155 118.980 0.175 1
1 736 . 13 1 1 A 66 66 LEU H H 66 7.708 8.524 -0.816 1
1 737 . 13 1 1 A 66 66 LEU HA H 66 3.791 3.821 -0.030 1
1 747 . 13 1 1 A 66 66 LEU CA C 66 54.143 57.627 -3.484 1
1 748 . 13 1 1 A 66 66 LEU CB C 66 39.688 41.441 -1.753 1
1 752 . 13 1 1 A 66 66 LEU N N 66 118.791 120.213 -1.422 1
1 753 . 13 1 1 A 67 67 LYS H H 67 7.573 7.773 -0.200 1
1 754 . 13 1 1 A 67 67 LYS HA H 67 3.358 4.036 -0.678 1
1 761 . 13 1 1 A 67 67 LYS CA C 67 55.255 58.440 -3.185 1
1 762 . 13 1 1 A 67 67 LYS CB C 67 30.352 32.441 -2.089 1
1 766 . 13 1 1 A 67 67 LYS N N 67 118.232 117.078 1.154 1
1 767 . 13 1 1 A 68 68 HIS H H 68 7.398 8.564 -1.166 1
1 768 . 13 1 1 A 68 68 HIS HA H 68 4.287 4.766 -0.479 1
1 774 . 13 1 1 A 68 68 HIS CA C 68 53.438 54.538 -1.100 1
1 775 . 13 1 1 A 68 68 HIS CB C 68 27.156 30.625 -3.469 1
1 778 . 13 1 1 A 68 68 HIS N N 68 116.826 112.545 4.281 1
1 17 . 14 1 1 A 6 6 GLN H H 6 8.338 9.182 -0.844 1
1 18 . 14 1 1 A 6 6 GLN HA H 6 4.087 4.281 -0.195 1
1 23 . 14 1 1 A 6 6 GLN CA C 6 54.294 56.494 -2.200 1
1 24 . 14 1 1 A 6 6 GLN CB C 6 25.937 28.398 -2.461 1
1 26 . 14 1 1 A 7 7 GLN H H 7 8.102 8.785 -0.683 1
1 27 . 14 1 1 A 7 7 GLN HA H 7 4.022 4.297 -0.275 1
1 33 . 14 1 1 A 7 7 GLN CA C 7 54.971 57.692 -2.721 1
1 34 . 14 1 1 A 7 7 GLN CB C 7 26.139 28.664 -2.525 1
1 36 . 14 1 1 A 7 7 GLN N N 7 121.077 123.218 -2.141 1
1 38 . 14 1 1 A 8 8 ILE H H 8 7.931 8.194 -0.263 1
1 39 . 14 1 1 A 8 8 ILE HA H 8 3.707 4.020 -0.313 1
1 49 . 14 1 1 A 8 8 ILE CA C 8 60.313 63.489 -3.176 1
1 50 . 14 1 1 A 8 8 ILE CB C 8 35.549 37.531 -1.982 1
1 54 . 14 1 1 A 8 8 ILE N N 8 121.658 118.721 2.937 1
1 55 . 14 1 1 A 9 9 ALA H H 9 8.066 7.697 0.369 1
1 56 . 14 1 1 A 9 9 ALA HA H 9 4.154 4.542 -0.388 1
1 60 . 14 1 1 A 9 9 ALA CA C 9 51.535 53.110 -1.575 1
1 61 . 14 1 1 A 9 9 ALA CB C 9 16.982 20.248 -3.267 1
1 62 . 14 1 1 A 9 9 ALA N N 9 125.451 123.831 1.620 1
1 63 . 14 1 1 A 10 10 THR H H 10 8.341 8.428 -0.088 1
1 64 . 14 1 1 A 10 10 THR HA H 10 4.080 4.159 -0.079 1
1 69 . 14 1 1 A 10 10 THR CA C 10 60.938 65.226 -4.288 1
1 70 . 14 1 1 A 10 10 THR CB C 10 67.814 68.281 -0.467 1
1 72 . 14 1 1 A 10 10 THR N N 10 113.598 111.747 1.851 1
1 73 . 14 1 1 A 11 11 ALA H H 11 8.169 8.206 -0.037 1
1 74 . 14 1 1 A 11 11 ALA HA H 11 3.978 4.102 -0.123 1
1 78 . 14 1 1 A 11 11 ALA CA C 11 52.638 55.673 -3.035 1
1 79 . 14 1 1 A 11 11 ALA CB C 11 15.450 18.528 -3.078 1
1 80 . 14 1 1 A 12 12 LYS H H 12 8.742 8.004 0.738 1
1 81 . 14 1 1 A 12 12 LYS HA H 12 3.433 3.727 -0.294 1
1 89 . 14 1 1 A 12 12 LYS CA C 12 57.832 59.458 -1.626 1
1 90 . 14 1 1 A 12 12 LYS CB C 12 29.978 32.080 -2.102 1
1 93 . 14 1 1 A 12 12 LYS N N 12 121.423 118.699 2.724 1
1 94 . 14 1 1 A 13 13 ASP H H 13 7.689 8.934 -1.246 1
1 95 . 14 1 1 A 13 13 ASP HA H 13 4.026 4.325 -0.299 1
1 98 . 14 1 1 A 13 13 ASP CA C 13 54.896 57.674 -2.778 1
1 99 . 14 1 1 A 13 13 ASP CB C 13 37.904 41.939 -4.035 1
1 100 . 14 1 1 A 13 13 ASP N N 13 119.535 118.744 0.791 1
1 101 . 14 1 1 A 14 14 LYS H H 14 7.806 8.442 -0.636 1
1 102 . 14 1 1 A 14 14 LYS HA H 14 3.803 4.227 -0.424 1
1 105 . 14 1 1 A 14 14 LYS CA C 14 56.563 58.964 -2.401 1
1 106 . 14 1 1 A 14 14 LYS N N 14 117.395 119.857 -2.462 1
1 107 . 14 1 1 A 15 15 TYR H H 15 7.867 8.335 -0.468 1
1 108 . 14 1 1 A 15 15 TYR HA H 15 4.038 4.176 -0.138 1
1 115 . 14 1 1 A 15 15 TYR CA C 15 58.284 61.473 -3.189 1
1 116 . 14 1 1 A 15 15 TYR CB C 15 35.361 38.248 -2.887 1
1 119 . 14 1 1 A 15 15 TYR N N 15 120.763 121.018 -0.255 1
1 120 . 14 1 1 A 16 16 GLU H H 16 8.575 8.909 -0.334 1
1 121 . 14 1 1 A 16 16 GLU HA H 16 3.178 3.903 -0.726 1
1 126 . 14 1 1 A 16 16 GLU CA C 16 58.622 59.188 -0.566 1
1 127 . 14 1 1 A 16 16 GLU CB C 16 26.562 29.232 -2.670 1
1 129 . 14 1 1 A 16 16 GLU N N 16 119.244 117.284 1.960 1
1 130 . 14 1 1 A 17 17 TRP H H 17 8.082 7.797 0.285 1
1 131 . 14 1 1 A 17 17 TRP HA H 17 4.124 4.728 -0.604 1
1 140 . 14 1 1 A 17 17 TRP CA C 17 57.229 61.026 -3.797 1
1 141 . 14 1 1 A 17 17 TRP CB C 17 25.612 29.711 -4.099 1
1 147 . 14 1 1 A 17 17 TRP N N 17 120.589 122.554 -1.965 1
1 149 . 14 1 1 A 18 18 LEU H H 18 7.619 8.447 -0.828 1
1 150 . 14 1 1 A 18 18 LEU HA H 18 3.553 2.952 0.601 1
1 160 . 14 1 1 A 18 18 LEU CA C 18 55.837 57.625 -1.788 1
1 161 . 14 1 1 A 18 18 LEU CB C 18 38.786 41.254 -2.468 1
1 165 . 14 1 1 A 18 18 LEU N N 18 122.925 119.471 3.454 1
1 166 . 14 1 1 A 19 19 VAL H H 19 8.069 7.918 0.151 1
1 167 . 14 1 1 A 19 19 VAL HA H 19 3.060 3.388 -0.328 1
1 175 . 14 1 1 A 19 19 VAL CA C 19 64.268 66.655 -2.387 1
1 176 . 14 1 1 A 19 19 VAL CB C 19 28.849 31.337 -2.488 1
1 179 . 14 1 1 A 19 19 VAL N N 19 118.738 118.816 -0.078 1
1 180 . 14 1 1 A 20 20 SER H H 20 7.380 7.648 -0.269 1
1 181 . 14 1 1 A 20 20 SER HA H 20 3.569 4.279 -0.710 1
1 184 . 14 1 1 A 20 20 SER CA C 20 59.063 60.655 -1.592 1
1 185 . 14 1 1 A 20 20 SER CB C 20 60.354 62.780 -2.426 1
1 186 . 14 1 1 A 20 20 SER N N 20 111.215 113.724 -2.509 1
1 187 . 14 1 1 A 21 21 ARG H H 21 7.290 8.266 -0.976 1
1 188 . 14 1 1 A 21 21 ARG HA H 21 3.860 4.100 -0.240 1
1 195 . 14 1 1 A 21 21 ARG CA C 21 55.197 57.797 -2.600 1
1 196 . 14 1 1 A 21 21 ARG CB C 21 28.021 29.267 -1.246 1
1 199 . 14 1 1 A 21 21 ARG N N 21 119.898 121.475 -1.577 1
1 200 . 14 1 1 A 22 22 ILE H H 22 7.695 7.187 0.508 1
1 201 . 14 1 1 A 22 22 ILE HA H 22 3.900 4.066 -0.166 1
1 211 . 14 1 1 A 22 22 ILE CA C 22 59.337 62.944 -3.607 1
1 212 . 14 1 1 A 22 22 ILE CB C 22 36.562 38.847 -2.285 1
1 216 . 14 1 1 A 22 22 ILE N N 22 116.745 118.223 -1.478 1
1 217 . 14 1 1 A 23 23 VAL H H 23 7.969 7.985 -0.016 1
1 218 . 14 1 1 A 23 23 VAL HA H 23 3.887 4.096 -0.209 1
1 226 . 14 1 1 A 23 23 VAL CA C 23 60.956 63.056 -2.100 1
1 227 . 14 1 1 A 23 23 VAL CB C 23 28.307 31.360 -3.053 1
1 230 . 14 1 1 A 23 23 VAL N N 23 122.152 121.458 0.694 1
1 231 . 14 1 1 A 24 24 LYS H H 24 9.007 8.932 0.075 1
1 232 . 14 1 1 A 24 24 LYS HA H 24 4.285 4.757 -0.472 1
1 239 . 14 1 1 A 24 24 LYS CA C 24 52.838 55.032 -2.194 1
1 240 . 14 1 1 A 24 24 LYS CB C 24 30.937 34.661 -3.724 1
1 244 . 14 1 1 A 24 24 LYS N N 24 127.138 128.387 -1.249 1
1 245 . 14 1 1 A 25 25 ASN H H 25 7.936 9.472 -1.536 1
1 246 . 14 1 1 A 25 25 ASN HA H 25 4.727 4.282 0.445 1
1 251 . 14 1 1 A 25 25 ASN CA C 25 49.688 54.380 -4.692 1
1 252 . 14 1 1 A 25 25 ASN CB C 25 38.574 36.782 1.792 1
1 253 . 14 1 1 A 25 25 ASN N N 25 116.900 125.198 -8.298 1
1 255 . 14 1 1 A 26 26 HIS H H 26 8.035 8.567 -0.532 1
1 256 . 14 1 1 A 26 26 HIS HA H 26 4.096 4.303 -0.207 1
1 262 . 14 1 1 A 26 26 HIS CA C 26 54.755 57.280 -2.526 1
1 263 . 14 1 1 A 26 26 HIS CB C 26 27.832 27.461 0.372 1
1 266 . 14 1 1 A 26 26 HIS N N 26 117.740 114.738 3.002 1
1 267 . 14 1 1 A 27 27 ASN H H 27 7.949 7.556 0.394 1
1 268 . 14 1 1 A 27 27 ASN HA H 27 4.537 4.768 -0.232 1
1 273 . 14 1 1 A 27 27 ASN CA C 27 50.304 53.520 -3.216 1
1 274 . 14 1 1 A 27 27 ASN CB C 27 35.850 38.694 -2.844 1
1 275 . 14 1 1 A 27 27 ASN N N 27 117.497 116.731 0.766 1
1 277 . 14 1 1 A 28 28 GLU H H 28 7.020 8.133 -1.113 1
1 278 . 14 1 1 A 28 28 GLU HA H 28 4.171 4.599 -0.428 1
1 283 . 14 1 1 A 28 28 GLU CA C 28 54.971 55.916 -0.945 1
1 284 . 14 1 1 A 28 28 GLU CB C 28 28.398 31.525 -3.127 1
1 286 . 14 1 1 A 28 28 GLU N N 28 120.910 118.542 2.368 1
1 287 . 14 1 1 A 29 29 ASN H H 29 8.539 8.818 -0.279 1
1 288 . 14 1 1 A 29 29 ASN HA H 29 5.055 5.547 -0.492 1
1 293 . 14 1 1 A 29 29 ASN CA C 29 49.375 51.966 -2.591 1
1 294 . 14 1 1 A 29 29 ASN CB C 29 38.824 42.006 -3.182 1
1 295 . 14 1 1 A 29 29 ASN N N 29 118.857 117.128 1.729 1
1 297 . 14 1 1 A 30 30 TRP H H 30 9.219 8.956 0.263 1
1 298 . 14 1 1 A 30 30 TRP HA H 30 3.637 2.982 0.655 1
1 307 . 14 1 1 A 30 30 TRP CA C 30 55.988 61.014 -5.026 1
1 308 . 14 1 1 A 30 30 TRP CB C 30 27.757 29.895 -2.138 1
1 314 . 14 1 1 A 30 30 TRP N N 30 122.308 125.676 -3.368 1
1 316 . 14 1 1 A 31 31 LEU H H 31 8.329 8.442 -0.114 1
1 317 . 14 1 1 A 31 31 LEU HA H 31 3.302 3.254 0.048 1
1 327 . 14 1 1 A 31 31 LEU CA C 31 55.874 57.640 -1.766 1
1 328 . 14 1 1 A 31 31 LEU CB C 31 38.372 41.688 -3.316 1
1 332 . 14 1 1 A 31 31 LEU N N 31 120.479 119.762 0.717 1
1 333 . 14 1 1 A 32 32 SER H H 32 7.521 8.157 -0.636 1
1 334 . 14 1 1 A 32 32 SER HA H 32 3.893 4.060 -0.167 1
1 337 . 14 1 1 A 32 32 SER CA C 32 58.245 61.446 -3.201 1
1 338 . 14 1 1 A 32 32 SER CB C 32 60.316 62.145 -1.829 1
1 339 . 14 1 1 A 32 32 SER N N 32 112.204 112.547 -0.343 1
1 340 . 14 1 1 A 33 33 VAL H H 33 7.873 7.852 0.021 1
1 341 . 14 1 1 A 33 33 VAL HA H 33 3.293 3.442 -0.149 1
1 349 . 14 1 1 A 33 33 VAL CA C 33 63.629 66.225 -2.596 1
1 350 . 14 1 1 A 33 33 VAL CB C 33 29.000 31.072 -2.072 1
1 353 . 14 1 1 A 33 33 VAL N N 33 121.321 122.169 -0.848 1
1 354 . 14 1 1 A 34 34 SER H H 34 8.213 7.734 0.479 1
1 355 . 14 1 1 A 34 34 SER HA H 34 2.777 3.589 -0.812 1
1 358 . 14 1 1 A 34 34 SER CA C 34 59.063 60.611 -1.548 1
1 359 . 14 1 1 A 34 34 SER CB C 34 58.438 62.491 -4.053 1
1 360 . 14 1 1 A 34 34 SER N N 34 116.084 115.507 0.577 1
1 361 . 14 1 1 A 35 35 ARG H H 35 6.651 7.832 -1.181 1
1 362 . 14 1 1 A 35 35 ARG HA H 35 3.649 3.789 -0.140 1
1 367 . 14 1 1 A 35 35 ARG CA C 35 56.778 59.376 -2.598 1
1 368 . 14 1 1 A 35 35 ARG CB C 35 26.892 29.932 -3.040 1
1 371 . 14 1 1 A 35 35 ARG N N 35 120.706 121.134 -0.428 1
1 372 . 14 1 1 A 36 36 LYS H H 36 7.074 7.869 -0.794 1
1 373 . 14 1 1 A 36 36 LYS HA H 36 3.840 3.893 -0.053 1
1 380 . 14 1 1 A 36 36 LYS CA C 36 56.288 59.208 -2.920 1
1 381 . 14 1 1 A 36 36 LYS CB C 36 30.091 32.131 -2.040 1
1 385 . 14 1 1 A 36 36 LYS N N 36 118.246 119.527 -1.281 1
1 386 . 14 1 1 A 37 37 MET H H 37 7.362 9.120 -1.758 1
1 387 . 14 1 1 A 37 37 MET HA H 37 3.958 3.975 -0.018 1
1 395 . 14 1 1 A 37 37 MET CA C 37 54.972 58.786 -3.814 1
1 396 . 14 1 1 A 37 37 MET CB C 37 31.521 31.370 0.151 1
1 398 . 14 1 1 A 37 37 MET N N 37 116.022 118.189 -2.167 1
1 399 . 14 1 1 A 38 38 GLN H H 38 6.836 8.060 -1.224 1
1 400 . 14 1 1 A 38 38 GLN HA H 38 3.455 3.913 -0.458 1
1 406 . 14 1 1 A 38 38 GLN CA C 38 55.938 57.542 -1.604 1
1 407 . 14 1 1 A 38 38 GLN CB C 38 25.312 27.519 -2.207 1
1 409 . 14 1 1 A 38 38 GLN N N 38 116.745 116.967 -0.222 1
1 411 . 14 1 1 A 39 39 ALA H H 39 7.636 7.311 0.325 1
1 412 . 14 1 1 A 39 39 ALA HA H 39 4.210 4.240 -0.030 1
1 416 . 14 1 1 A 39 39 ALA CA C 39 50.313 52.667 -2.354 1
1 417 . 14 1 1 A 39 39 ALA CB C 39 16.278 18.714 -2.436 1
1 418 . 14 1 1 A 39 39 ALA N N 39 118.576 121.711 -3.135 1
1 419 . 14 1 1 A 40 40 SER H H 40 8.246 7.789 0.458 1
1 420 . 14 1 1 A 40 40 SER HA H 40 4.681 4.886 -0.204 1
1 423 . 14 1 1 A 40 40 SER CA C 40 55.122 55.186 -0.064 1
1 424 . 14 1 1 A 40 40 SER CB C 40 60.938 65.101 -4.163 1
1 425 . 14 1 1 A 40 40 SER N N 40 119.184 113.427 5.757 1
1 426 . 14 1 1 A 41 41 PRO HA H 41 4.083 4.329 -0.246 1
1 432 . 14 1 1 A 41 41 PRO CA C 41 62.800 65.401 -2.601 1
1 434 . 14 1 1 A 42 42 GLU H H 42 9.832 8.393 1.438 1
1 435 . 14 1 1 A 42 42 GLU HA H 42 3.961 4.196 -0.235 1
1 440 . 14 1 1 A 42 42 GLU CA C 42 57.832 59.966 -2.134 1
1 441 . 14 1 1 A 42 42 GLU CB C 42 27.812 29.303 -1.491 1
1 443 . 14 1 1 A 42 42 GLU N N 42 115.590 117.795 -2.205 1
1 444 . 14 1 1 A 43 43 TYR H H 43 7.138 8.229 -1.091 1
1 445 . 14 1 1 A 43 43 TYR HA H 43 4.192 4.686 -0.494 1
1 452 . 14 1 1 A 43 43 TYR CA C 43 58.438 61.660 -3.222 1
1 453 . 14 1 1 A 43 43 TYR CB C 43 37.812 38.916 -1.104 1
1 456 . 14 1 1 A 43 43 TYR N N 43 118.651 121.599 -2.948 1
1 457 . 14 1 1 A 44 44 GLN H H 44 7.832 8.291 -0.459 1
1 458 . 14 1 1 A 44 44 GLN HA H 44 3.506 3.883 -0.377 1
1 465 . 14 1 1 A 44 44 GLN CA C 44 56.110 58.901 -2.791 1
1 466 . 14 1 1 A 44 44 GLN CB C 44 25.161 28.629 -3.468 1
1 468 . 14 1 1 A 44 44 GLN N N 44 117.515 118.827 -1.312 1
1 470 . 14 1 1 A 45 45 ASP H H 45 8.967 8.785 0.182 1
1 471 . 14 1 1 A 45 45 ASP HA H 45 4.224 4.358 -0.134 1
1 474 . 14 1 1 A 45 45 ASP CA C 45 54.407 57.145 -2.738 1
1 475 . 14 1 1 A 45 45 ASP CB C 45 37.694 41.207 -3.513 1
1 476 . 14 1 1 A 45 45 ASP N N 45 118.351 120.275 -1.924 1
1 477 . 14 1 1 A 46 46 TYR H H 46 6.841 7.865 -1.024 1
1 478 . 14 1 1 A 46 46 TYR HA H 46 3.775 4.159 -0.384 1
1 485 . 14 1 1 A 46 46 TYR CA C 46 60.316 61.404 -1.088 1
1 486 . 14 1 1 A 46 46 TYR CB C 46 36.452 38.535 -2.083 1
1 489 . 14 1 1 A 46 46 TYR N N 46 118.500 120.576 -2.076 1
1 490 . 14 1 1 A 47 47 VAL H H 47 8.125 8.212 -0.087 1
1 491 . 14 1 1 A 47 47 VAL HA H 47 2.823 3.345 -0.522 1
1 499 . 14 1 1 A 47 47 VAL CA C 47 63.553 65.634 -2.081 1
1 500 . 14 1 1 A 47 47 VAL CB C 47 27.812 30.774 -2.962 1
1 503 . 14 1 1 A 47 47 VAL N N 47 117.616 119.501 -1.885 1
1 504 . 14 1 1 A 48 48 TYR H H 48 7.857 8.469 -0.611 1
1 505 . 14 1 1 A 48 48 TYR HA H 48 3.869 4.182 -0.313 1
1 512 . 14 1 1 A 48 48 TYR CA C 48 58.622 61.162 -2.540 1
1 513 . 14 1 1 A 48 48 TYR CB C 48 35.775 38.671 -2.896 1
1 516 . 14 1 1 A 48 48 TYR N N 48 121.176 121.976 -0.800 1
1 517 . 14 1 1 A 49 49 LEU H H 49 6.926 8.387 -1.461 1
1 518 . 14 1 1 A 49 49 LEU HA H 49 3.776 3.553 0.223 1
1 528 . 14 1 1 A 49 49 LEU CA C 49 54.688 58.218 -3.530 1
1 529 . 14 1 1 A 49 49 LEU CB C 49 40.938 41.616 -0.678 1
1 533 . 14 1 1 A 49 49 LEU N N 49 116.307 119.987 -3.680 1
1 534 . 14 1 1 A 50 50 GLU H H 50 7.894 7.768 0.127 1
1 535 . 14 1 1 A 50 50 GLU HA H 50 4.212 4.028 0.184 1
1 540 . 14 1 1 A 50 50 GLU CA C 50 53.616 57.939 -4.323 1
1 541 . 14 1 1 A 50 50 GLU CB C 50 28.924 29.292 -0.368 1
1 543 . 14 1 1 A 50 50 GLU N N 50 114.774 115.680 -0.906 1
1 544 . 14 1 1 A 51 51 GLY H H 51 7.768 6.989 0.779 1
1 545 . 14 1 1 A 51 51 GLY HA2 H 51 4.168 3.969 0.199 1
1 546 . 14 1 1 A 51 51 GLY HA3 H 51 3.770 3.981 -0.211 1
1 547 . 14 1 1 A 51 51 GLY CA C 51 42.188 45.117 -2.929 1
1 548 . 14 1 1 A 51 51 GLY N N 51 109.724 103.663 6.061 1
1 549 . 14 1 1 A 52 52 THR H H 52 8.230 8.790 -0.559 1
1 550 . 14 1 1 A 52 52 THR HA H 52 3.687 4.102 -0.415 1
1 555 . 14 1 1 A 52 52 THR CA C 52 62.813 65.899 -3.086 1
1 556 . 14 1 1 A 52 52 THR CB C 52 66.564 69.049 -2.485 1
1 558 . 14 1 1 A 52 52 THR N N 52 111.611 114.098 -2.487 1
1 559 . 14 1 1 A 53 53 GLN H H 53 8.342 7.675 0.667 1
1 560 . 14 1 1 A 53 53 GLN HA H 53 3.784 4.049 -0.265 1
1 566 . 14 1 1 A 53 53 GLN CA C 53 57.117 58.653 -1.536 1
1 567 . 14 1 1 A 53 53 GLN CB C 53 24.521 28.569 -4.048 1
1 569 . 14 1 1 A 53 53 GLN N N 53 122.288 119.735 2.553 1
1 571 . 14 1 1 A 54 54 LYS H H 54 8.236 7.815 0.421 1
1 572 . 14 1 1 A 54 54 LYS HA H 54 3.784 4.016 -0.232 1
1 579 . 14 1 1 A 54 54 LYS CA C 54 57.230 59.016 -1.786 1
1 580 . 14 1 1 A 54 54 LYS CB C 54 28.437 32.107 -3.670 1
1 584 . 14 1 1 A 54 54 LYS N N 54 121.397 119.578 1.819 1
1 585 . 14 1 1 A 55 55 ALA H H 55 7.207 7.639 -0.432 1
1 586 . 14 1 1 A 55 55 ALA HA H 55 3.893 4.057 -0.164 1
1 590 . 14 1 1 A 55 55 ALA CA C 55 49.063 55.272 -6.209 1
1 591 . 14 1 1 A 55 55 ALA CB C 55 16.562 18.259 -1.697 1
1 592 . 14 1 1 A 55 55 ALA N N 55 121.624 122.480 -0.856 1
1 593 . 14 1 1 A 56 56 LYS H H 56 8.199 7.861 0.338 1
1 594 . 14 1 1 A 56 56 LYS HA H 56 2.316 2.373 -0.057 1
1 602 . 14 1 1 A 56 56 LYS CA C 56 56.514 58.869 -2.355 1
1 603 . 14 1 1 A 56 56 LYS CB C 56 29.527 31.528 -2.001 1
1 607 . 14 1 1 A 56 56 LYS N N 56 124.153 117.732 6.421 1
1 608 . 14 1 1 A 57 57 LYS H H 57 7.801 7.923 -0.121 1
1 609 . 14 1 1 A 57 57 LYS HA H 57 3.696 4.031 -0.335 1
1 616 . 14 1 1 A 57 57 LYS CA C 57 57.305 59.430 -2.125 1
1 617 . 14 1 1 A 57 57 LYS CB C 57 29.790 31.979 -2.189 1
1 621 . 14 1 1 A 57 57 LYS N N 57 120.226 119.285 0.941 1
1 622 . 14 1 1 A 58 58 LEU H H 58 7.748 8.112 -0.363 1
1 623 . 14 1 1 A 58 58 LEU HA H 58 4.014 4.048 -0.034 1
1 633 . 14 1 1 A 58 58 LEU CA C 58 55.912 57.949 -2.037 1
1 634 . 14 1 1 A 58 58 LEU CB C 58 39.313 42.195 -2.882 1
1 638 . 14 1 1 A 58 58 LEU N N 58 118.589 120.513 -1.924 1
1 639 . 14 1 1 A 59 59 PHE H H 59 7.587 8.833 -1.246 1
1 640 . 14 1 1 A 59 59 PHE HA H 59 4.181 4.204 -0.023 1
1 648 . 14 1 1 A 59 59 PHE CA C 59 59.036 61.103 -2.067 1
1 649 . 14 1 1 A 59 59 PHE CB C 59 36.340 38.706 -2.366 1
1 653 . 14 1 1 A 59 59 PHE N N 59 122.478 119.072 3.406 1
1 654 . 14 1 1 A 60 60 LEU H H 60 8.576 8.967 -0.391 1
1 655 . 14 1 1 A 60 60 LEU HA H 60 3.528 3.648 -0.120 1
1 665 . 14 1 1 A 60 60 LEU CA C 60 55.084 58.153 -3.069 1
1 666 . 14 1 1 A 60 60 LEU CB C 60 38.259 41.658 -3.399 1
1 670 . 14 1 1 A 60 60 LEU N N 60 120.969 119.470 1.499 1
1 671 . 14 1 1 A 61 61 GLN H H 61 7.956 8.363 -0.407 1
1 672 . 14 1 1 A 61 61 GLN HA H 61 3.892 3.923 -0.031 1
1 679 . 14 1 1 A 61 61 GLN CA C 61 56.326 59.136 -2.810 1
1 680 . 14 1 1 A 61 61 GLN CB C 61 25.581 28.275 -2.694 1
1 682 . 14 1 1 A 61 61 GLN N N 61 119.668 116.737 2.931 1
1 684 . 14 1 1 A 62 62 HIS H H 62 7.487 8.037 -0.550 1
1 685 . 14 1 1 A 62 62 HIS HA H 62 4.130 4.287 -0.157 1
1 690 . 14 1 1 A 62 62 HIS CA C 62 57.531 59.883 -2.352 1
1 691 . 14 1 1 A 62 62 HIS CB C 62 28.134 29.440 -1.306 1
1 694 . 14 1 1 A 62 62 HIS N N 62 121.475 119.309 2.166 1
1 695 . 14 1 1 A 63 63 ILE H H 63 7.747 8.573 -0.827 1
1 696 . 14 1 1 A 63 63 ILE HA H 63 3.297 3.383 -0.086 1
1 706 . 14 1 1 A 63 63 ILE CA C 63 60.408 65.535 -5.127 1
1 707 . 14 1 1 A 63 63 ILE CB C 63 33.437 37.836 -4.399 1
1 710 . 14 1 1 A 63 63 ILE N N 63 116.455 119.888 -3.433 1
1 711 . 14 1 1 A 64 64 HIS H H 64 7.703 8.413 -0.710 1
1 712 . 14 1 1 A 64 64 HIS HA H 64 3.983 4.107 -0.124 1
1 718 . 14 1 1 A 64 64 HIS CA C 64 57.832 60.244 -2.412 1
1 719 . 14 1 1 A 64 64 HIS CB C 64 27.382 29.662 -2.280 1
1 722 . 14 1 1 A 64 64 HIS N N 64 118.476 119.164 -0.688 1
1 723 . 14 1 1 A 65 65 ARG H H 65 7.501 8.321 -0.820 1
1 724 . 14 1 1 A 65 65 ARG HA H 65 3.789 4.065 -0.276 1
1 731 . 14 1 1 A 65 65 ARG CA C 65 56.966 59.465 -2.499 1
1 732 . 14 1 1 A 65 65 ARG CB C 65 27.194 29.890 -2.696 1
1 735 . 14 1 1 A 65 65 ARG N N 65 119.155 118.830 0.325 1
1 736 . 14 1 1 A 66 66 LEU H H 66 7.708 8.804 -1.096 1
1 737 . 14 1 1 A 66 66 LEU HA H 66 3.791 3.840 -0.049 1
1 747 . 14 1 1 A 66 66 LEU CA C 66 54.143 57.703 -3.560 1
1 748 . 14 1 1 A 66 66 LEU CB C 66 39.688 41.457 -1.769 1
1 752 . 14 1 1 A 66 66 LEU N N 66 118.791 120.234 -1.443 1
1 753 . 14 1 1 A 67 67 LYS H H 67 7.573 8.007 -0.434 1
1 754 . 14 1 1 A 67 67 LYS HA H 67 3.358 4.228 -0.870 1
1 761 . 14 1 1 A 67 67 LYS CA C 67 55.255 59.023 -3.768 1
1 762 . 14 1 1 A 67 67 LYS CB C 67 30.352 32.391 -2.039 1
1 766 . 14 1 1 A 67 67 LYS N N 67 118.232 117.741 0.491 1
1 767 . 14 1 1 A 68 68 HIS H H 68 7.398 8.603 -1.205 1
1 768 . 14 1 1 A 68 68 HIS HA H 68 4.287 4.773 -0.486 1
1 774 . 14 1 1 A 68 68 HIS CA C 68 53.438 54.586 -1.148 1
1 775 . 14 1 1 A 68 68 HIS CB C 68 27.156 30.701 -3.545 1
1 778 . 14 1 1 A 68 68 HIS N N 68 116.826 113.032 3.794 1
1 17 . 15 1 1 A 6 6 GLN H H 6 8.338 8.328 0.010 1
1 18 . 15 1 1 A 6 6 GLN HA H 6 4.087 4.884 -0.797 1
1 23 . 15 1 1 A 6 6 GLN CA C 6 54.294 54.019 0.275 1
1 24 . 15 1 1 A 6 6 GLN CB C 6 25.937 32.108 -6.171 1
1 26 . 15 1 1 A 7 7 GLN H H 7 8.102 9.027 -0.925 1
1 27 . 15 1 1 A 7 7 GLN HA H 7 4.022 4.541 -0.519 1
1 33 . 15 1 1 A 7 7 GLN CA C 7 54.971 57.515 -2.544 1
1 34 . 15 1 1 A 7 7 GLN CB C 7 26.139 28.616 -2.477 1
1 36 . 15 1 1 A 7 7 GLN N N 7 121.077 119.380 1.697 1
1 38 . 15 1 1 A 8 8 ILE H H 8 7.931 8.161 -0.230 1
1 39 . 15 1 1 A 8 8 ILE HA H 8 3.707 3.819 -0.112 1
1 49 . 15 1 1 A 8 8 ILE CA C 8 60.313 65.458 -5.145 1
1 50 . 15 1 1 A 8 8 ILE CB C 8 35.549 37.905 -2.356 1
1 54 . 15 1 1 A 8 8 ILE N N 8 121.658 119.507 2.151 1
1 55 . 15 1 1 A 9 9 ALA H H 9 8.066 7.681 0.386 1
1 56 . 15 1 1 A 9 9 ALA HA H 9 4.154 4.528 -0.374 1
1 60 . 15 1 1 A 9 9 ALA CA C 9 51.535 53.099 -1.563 1
1 61 . 15 1 1 A 9 9 ALA CB C 9 16.982 20.400 -3.418 1
1 62 . 15 1 1 A 9 9 ALA N N 9 125.451 122.198 3.253 1
1 63 . 15 1 1 A 10 10 THR H H 10 8.341 8.293 0.048 1
1 64 . 15 1 1 A 10 10 THR HA H 10 4.080 4.148 -0.068 1
1 69 . 15 1 1 A 10 10 THR CA C 10 60.938 65.090 -4.152 1
1 70 . 15 1 1 A 10 10 THR CB C 10 67.814 68.511 -0.697 1
1 72 . 15 1 1 A 10 10 THR N N 10 113.598 111.603 1.995 1
1 73 . 15 1 1 A 11 11 ALA H H 11 8.169 8.200 -0.031 1
1 74 . 15 1 1 A 11 11 ALA HA H 11 3.978 4.088 -0.110 1
1 78 . 15 1 1 A 11 11 ALA CA C 11 52.638 55.702 -3.064 1
1 79 . 15 1 1 A 11 11 ALA CB C 11 15.450 18.416 -2.966 1
1 80 . 15 1 1 A 12 12 LYS H H 12 8.742 8.117 0.624 1
1 81 . 15 1 1 A 12 12 LYS HA H 12 3.433 3.475 -0.042 1
1 89 . 15 1 1 A 12 12 LYS CA C 12 57.832 59.619 -1.787 1
1 90 . 15 1 1 A 12 12 LYS CB C 12 29.978 32.069 -2.091 1
1 93 . 15 1 1 A 12 12 LYS N N 12 121.423 118.775 2.648 1
1 94 . 15 1 1 A 13 13 ASP H H 13 7.689 8.453 -0.764 1
1 95 . 15 1 1 A 13 13 ASP HA H 13 4.026 4.326 -0.300 1
1 98 . 15 1 1 A 13 13 ASP CA C 13 54.896 57.621 -2.725 1
1 99 . 15 1 1 A 13 13 ASP CB C 13 37.904 41.737 -3.833 1
1 100 . 15 1 1 A 13 13 ASP N N 13 119.535 119.704 -0.169 1
1 101 . 15 1 1 A 14 14 LYS H H 14 7.806 8.236 -0.430 1
1 102 . 15 1 1 A 14 14 LYS HA H 14 3.803 4.228 -0.425 1
1 105 . 15 1 1 A 14 14 LYS CA C 14 56.563 58.931 -2.368 1
1 106 . 15 1 1 A 14 14 LYS N N 14 117.395 119.903 -2.508 1
1 107 . 15 1 1 A 15 15 TYR H H 15 7.867 8.468 -0.601 1
1 108 . 15 1 1 A 15 15 TYR HA H 15 4.038 4.163 -0.124 1
1 115 . 15 1 1 A 15 15 TYR CA C 15 58.284 61.763 -3.479 1
1 116 . 15 1 1 A 15 15 TYR CB C 15 35.361 38.685 -3.324 1
1 119 . 15 1 1 A 15 15 TYR N N 15 120.763 121.213 -0.450 1
1 120 . 15 1 1 A 16 16 GLU H H 16 8.575 9.086 -0.511 1
1 121 . 15 1 1 A 16 16 GLU HA H 16 3.178 3.981 -0.803 1
1 126 . 15 1 1 A 16 16 GLU CA C 16 58.622 59.042 -0.420 1
1 127 . 15 1 1 A 16 16 GLU CB C 16 26.562 29.203 -2.641 1
1 129 . 15 1 1 A 16 16 GLU N N 16 119.244 117.059 2.185 1
1 130 . 15 1 1 A 17 17 TRP H H 17 8.082 7.794 0.288 1
1 131 . 15 1 1 A 17 17 TRP HA H 17 4.124 4.681 -0.557 1
1 140 . 15 1 1 A 17 17 TRP CA C 17 57.229 61.176 -3.947 1
1 141 . 15 1 1 A 17 17 TRP CB C 17 25.612 29.476 -3.864 1
1 147 . 15 1 1 A 17 17 TRP N N 17 120.589 123.490 -2.901 1
1 149 . 15 1 1 A 18 18 LEU H H 18 7.619 8.495 -0.876 1
1 150 . 15 1 1 A 18 18 LEU HA H 18 3.553 2.928 0.625 1
1 160 . 15 1 1 A 18 18 LEU CA C 18 55.837 57.612 -1.775 1
1 161 . 15 1 1 A 18 18 LEU CB C 18 38.786 41.219 -2.433 1
1 165 . 15 1 1 A 18 18 LEU N N 18 122.925 119.297 3.628 1
1 166 . 15 1 1 A 19 19 VAL H H 19 8.069 8.072 -0.003 1
1 167 . 15 1 1 A 19 19 VAL HA H 19 3.060 3.363 -0.303 1
1 175 . 15 1 1 A 19 19 VAL CA C 19 64.268 66.645 -2.377 1
1 176 . 15 1 1 A 19 19 VAL CB C 19 28.849 31.393 -2.544 1
1 179 . 15 1 1 A 19 19 VAL N N 19 118.738 118.782 -0.044 1
1 180 . 15 1 1 A 20 20 SER H H 20 7.380 7.694 -0.315 1
1 181 . 15 1 1 A 20 20 SER HA H 20 3.569 4.167 -0.598 1
1 184 . 15 1 1 A 20 20 SER CA C 20 59.063 61.068 -2.005 1
1 185 . 15 1 1 A 20 20 SER CB C 20 60.354 62.544 -2.190 1
1 186 . 15 1 1 A 20 20 SER N N 20 111.215 113.710 -2.495 1
1 187 . 15 1 1 A 21 21 ARG H H 21 7.290 8.601 -1.310 1
1 188 . 15 1 1 A 21 21 ARG HA H 21 3.860 4.113 -0.253 1
1 195 . 15 1 1 A 21 21 ARG CA C 21 55.197 58.072 -2.875 1
1 196 . 15 1 1 A 21 21 ARG CB C 21 28.021 29.286 -1.265 1
1 199 . 15 1 1 A 21 21 ARG N N 21 119.898 121.559 -1.661 1
1 200 . 15 1 1 A 22 22 ILE H H 22 7.695 7.253 0.442 1
1 201 . 15 1 1 A 22 22 ILE HA H 22 3.900 4.011 -0.111 1
1 211 . 15 1 1 A 22 22 ILE CA C 22 59.337 63.096 -3.759 1
1 212 . 15 1 1 A 22 22 ILE CB C 22 36.562 38.621 -2.059 1
1 216 . 15 1 1 A 22 22 ILE N N 22 116.745 118.407 -1.662 1
1 217 . 15 1 1 A 23 23 VAL H H 23 7.969 7.802 0.167 1
1 218 . 15 1 1 A 23 23 VAL HA H 23 3.887 4.247 -0.360 1
1 226 . 15 1 1 A 23 23 VAL CA C 23 60.956 62.829 -1.873 1
1 227 . 15 1 1 A 23 23 VAL CB C 23 28.307 31.433 -3.126 1
1 230 . 15 1 1 A 23 23 VAL N N 23 122.152 120.351 1.801 1
1 231 . 15 1 1 A 24 24 LYS H H 24 9.007 9.048 -0.041 1
1 232 . 15 1 1 A 24 24 LYS HA H 24 4.285 4.549 -0.264 1
1 239 . 15 1 1 A 24 24 LYS CA C 24 52.838 57.456 -4.618 1
1 240 . 15 1 1 A 24 24 LYS CB C 24 30.937 34.151 -3.214 1
1 244 . 15 1 1 A 24 24 LYS N N 24 127.138 129.096 -1.958 1
1 245 . 15 1 1 A 25 25 ASN H H 25 7.936 7.933 0.003 1
1 246 . 15 1 1 A 25 25 ASN HA H 25 4.727 4.784 -0.057 1
1 251 . 15 1 1 A 25 25 ASN CA C 25 49.688 52.669 -2.981 1
1 252 . 15 1 1 A 25 25 ASN CB C 25 38.574 38.527 0.047 1
1 253 . 15 1 1 A 25 25 ASN N N 25 116.900 114.905 1.995 1
1 255 . 15 1 1 A 26 26 HIS H H 26 8.035 8.183 -0.148 1
1 256 . 15 1 1 A 26 26 HIS HA H 26 4.096 4.351 -0.255 1
1 262 . 15 1 1 A 26 26 HIS CA C 26 54.755 57.424 -2.670 1
1 263 . 15 1 1 A 26 26 HIS CB C 26 27.832 27.610 0.223 1
1 266 . 15 1 1 A 26 26 HIS N N 26 117.740 116.206 1.534 1
1 267 . 15 1 1 A 27 27 ASN H H 27 7.949 8.077 -0.128 1
1 268 . 15 1 1 A 27 27 ASN HA H 27 4.537 4.940 -0.404 1
1 273 . 15 1 1 A 27 27 ASN CA C 27 50.304 52.899 -2.595 1
1 274 . 15 1 1 A 27 27 ASN CB C 27 35.850 38.206 -2.356 1
1 275 . 15 1 1 A 27 27 ASN N N 27 117.497 117.323 0.174 1
1 277 . 15 1 1 A 28 28 GLU H H 28 7.020 8.007 -0.987 1
1 278 . 15 1 1 A 28 28 GLU HA H 28 4.171 4.805 -0.634 1
1 283 . 15 1 1 A 28 28 GLU CA C 28 54.971 55.147 -0.176 1
1 284 . 15 1 1 A 28 28 GLU CB C 28 28.398 32.286 -3.888 1
1 286 . 15 1 1 A 28 28 GLU N N 28 120.910 117.838 3.072 1
1 287 . 15 1 1 A 29 29 ASN H H 29 8.539 8.544 -0.005 1
1 288 . 15 1 1 A 29 29 ASN HA H 29 5.055 5.318 -0.263 1
1 293 . 15 1 1 A 29 29 ASN CA C 29 49.375 52.335 -2.960 1
1 294 . 15 1 1 A 29 29 ASN CB C 29 38.824 40.726 -1.902 1
1 295 . 15 1 1 A 29 29 ASN N N 29 118.857 118.446 0.411 1
1 297 . 15 1 1 A 30 30 TRP H H 30 9.219 9.051 0.168 1
1 298 . 15 1 1 A 30 30 TRP HA H 30 3.637 3.131 0.506 1
1 307 . 15 1 1 A 30 30 TRP CA C 30 55.988 61.093 -5.105 1
1 308 . 15 1 1 A 30 30 TRP CB C 30 27.757 30.128 -2.371 1
1 314 . 15 1 1 A 30 30 TRP N N 30 122.308 127.901 -5.593 1
1 316 . 15 1 1 A 31 31 LEU H H 31 8.329 8.501 -0.172 1
1 317 . 15 1 1 A 31 31 LEU HA H 31 3.302 3.346 -0.044 1
1 327 . 15 1 1 A 31 31 LEU CA C 31 55.874 57.575 -1.701 1
1 328 . 15 1 1 A 31 31 LEU CB C 31 38.372 41.629 -3.257 1
1 332 . 15 1 1 A 31 31 LEU N N 31 120.479 119.934 0.545 1
1 333 . 15 1 1 A 32 32 SER H H 32 7.521 7.565 -0.045 1
1 334 . 15 1 1 A 32 32 SER HA H 32 3.893 3.970 -0.077 1
1 337 . 15 1 1 A 32 32 SER CA C 32 58.245 62.676 -4.431 1
1 338 . 15 1 1 A 32 32 SER CB C 32 60.316 62.870 -2.554 1
1 339 . 15 1 1 A 32 32 SER N N 32 112.204 113.937 -1.733 1
1 340 . 15 1 1 A 33 33 VAL H H 33 7.873 7.999 -0.126 1
1 341 . 15 1 1 A 33 33 VAL HA H 33 3.293 3.782 -0.489 1
1 349 . 15 1 1 A 33 33 VAL CA C 33 63.629 65.064 -1.435 1
1 350 . 15 1 1 A 33 33 VAL CB C 33 29.000 31.049 -2.049 1
1 353 . 15 1 1 A 33 33 VAL N N 33 121.321 119.711 1.610 1
1 354 . 15 1 1 A 34 34 SER H H 34 8.213 7.559 0.654 1
1 355 . 15 1 1 A 34 34 SER HA H 34 2.777 3.475 -0.698 1
1 358 . 15 1 1 A 34 34 SER CA C 34 59.063 60.628 -1.565 1
1 359 . 15 1 1 A 34 34 SER CB C 34 58.438 62.118 -3.680 1
1 360 . 15 1 1 A 34 34 SER N N 34 116.084 116.577 -0.493 1
1 361 . 15 1 1 A 35 35 ARG H H 35 6.651 7.811 -1.160 1
1 362 . 15 1 1 A 35 35 ARG HA H 35 3.649 3.807 -0.158 1
1 367 . 15 1 1 A 35 35 ARG CA C 35 56.778 59.392 -2.614 1
1 368 . 15 1 1 A 35 35 ARG CB C 35 26.892 29.909 -3.017 1
1 371 . 15 1 1 A 35 35 ARG N N 35 120.706 121.394 -0.688 1
1 372 . 15 1 1 A 36 36 LYS H H 36 7.074 7.845 -0.770 1
1 373 . 15 1 1 A 36 36 LYS HA H 36 3.840 3.882 -0.042 1
1 380 . 15 1 1 A 36 36 LYS CA C 36 56.288 59.191 -2.903 1
1 381 . 15 1 1 A 36 36 LYS CB C 36 30.091 32.092 -2.001 1
1 385 . 15 1 1 A 36 36 LYS N N 36 118.246 119.451 -1.205 1
1 386 . 15 1 1 A 37 37 MET H H 37 7.362 8.493 -1.131 1
1 387 . 15 1 1 A 37 37 MET HA H 37 3.958 3.913 0.045 1
1 395 . 15 1 1 A 37 37 MET CA C 37 54.972 58.853 -3.881 1
1 396 . 15 1 1 A 37 37 MET CB C 37 31.521 31.706 -0.185 1
1 398 . 15 1 1 A 37 37 MET N N 37 116.022 118.218 -2.196 1
1 399 . 15 1 1 A 38 38 GLN H H 38 6.836 8.550 -1.714 1
1 400 . 15 1 1 A 38 38 GLN HA H 38 3.455 4.074 -0.619 1
1 406 . 15 1 1 A 38 38 GLN CA C 38 55.938 57.906 -1.968 1
1 407 . 15 1 1 A 38 38 GLN CB C 38 25.312 27.590 -2.278 1
1 409 . 15 1 1 A 38 38 GLN N N 38 116.745 117.195 -0.450 1
1 411 . 15 1 1 A 39 39 ALA H H 39 7.636 7.080 0.555 1
1 412 . 15 1 1 A 39 39 ALA HA H 39 4.210 4.282 -0.072 1
1 416 . 15 1 1 A 39 39 ALA CA C 39 50.313 52.786 -2.473 1
1 417 . 15 1 1 A 39 39 ALA CB C 39 16.278 19.129 -2.851 1
1 418 . 15 1 1 A 39 39 ALA N N 39 118.576 121.710 -3.134 1
1 419 . 15 1 1 A 40 40 SER H H 40 8.246 7.972 0.274 1
1 420 . 15 1 1 A 40 40 SER HA H 40 4.681 4.850 -0.169 1
1 423 . 15 1 1 A 40 40 SER CA C 40 55.122 55.245 -0.123 1
1 424 . 15 1 1 A 40 40 SER CB C 40 60.938 64.421 -3.483 1
1 425 . 15 1 1 A 40 40 SER N N 40 119.184 113.960 5.224 1
1 426 . 15 1 1 A 41 41 PRO HA H 41 4.083 4.327 -0.244 1
1 432 . 15 1 1 A 41 41 PRO CA C 41 62.800 65.410 -2.610 1
1 434 . 15 1 1 A 42 42 GLU H H 42 9.832 8.438 1.393 1
1 435 . 15 1 1 A 42 42 GLU HA H 42 3.961 4.209 -0.248 1
1 440 . 15 1 1 A 42 42 GLU CA C 42 57.832 59.805 -1.973 1
1 441 . 15 1 1 A 42 42 GLU CB C 42 27.812 29.270 -1.458 1
1 443 . 15 1 1 A 42 42 GLU N N 42 115.590 117.867 -2.277 1
1 444 . 15 1 1 A 43 43 TYR H H 43 7.138 8.396 -1.258 1
1 445 . 15 1 1 A 43 43 TYR HA H 43 4.192 4.688 -0.496 1
1 452 . 15 1 1 A 43 43 TYR CA C 43 58.438 61.815 -3.377 1
1 453 . 15 1 1 A 43 43 TYR CB C 43 37.812 38.806 -0.994 1
1 456 . 15 1 1 A 43 43 TYR N N 43 118.651 121.403 -2.752 1
1 457 . 15 1 1 A 44 44 GLN H H 44 7.832 8.192 -0.360 1
1 458 . 15 1 1 A 44 44 GLN HA H 44 3.506 3.829 -0.323 1
1 465 . 15 1 1 A 44 44 GLN CA C 44 56.110 58.974 -2.864 1
1 466 . 15 1 1 A 44 44 GLN CB C 44 25.161 28.601 -3.440 1
1 468 . 15 1 1 A 44 44 GLN N N 44 117.515 118.721 -1.206 1
1 470 . 15 1 1 A 45 45 ASP H H 45 8.967 8.874 0.093 1
1 471 . 15 1 1 A 45 45 ASP HA H 45 4.224 4.317 -0.093 1
1 474 . 15 1 1 A 45 45 ASP CA C 45 54.407 57.219 -2.812 1
1 475 . 15 1 1 A 45 45 ASP CB C 45 37.694 41.342 -3.648 1
1 476 . 15 1 1 A 45 45 ASP N N 45 118.351 120.242 -1.891 1
1 477 . 15 1 1 A 46 46 TYR H H 46 6.841 7.754 -0.913 1
1 478 . 15 1 1 A 46 46 TYR HA H 46 3.775 4.157 -0.382 1
1 485 . 15 1 1 A 46 46 TYR CA C 46 60.316 60.893 -0.577 1
1 486 . 15 1 1 A 46 46 TYR CB C 46 36.452 38.754 -2.302 1
1 489 . 15 1 1 A 46 46 TYR N N 46 118.500 120.970 -2.470 1
1 490 . 15 1 1 A 47 47 VAL H H 47 8.125 7.591 0.534 1
1 491 . 15 1 1 A 47 47 VAL HA H 47 2.823 3.393 -0.570 1
1 499 . 15 1 1 A 47 47 VAL CA C 47 63.553 65.396 -1.843 1
1 500 . 15 1 1 A 47 47 VAL CB C 47 27.812 30.712 -2.900 1
1 503 . 15 1 1 A 47 47 VAL N N 47 117.616 119.642 -2.026 1
1 504 . 15 1 1 A 48 48 TYR H H 48 7.857 8.567 -0.710 1
1 505 . 15 1 1 A 48 48 TYR HA H 48 3.869 4.172 -0.303 1
1 512 . 15 1 1 A 48 48 TYR CA C 48 58.622 61.200 -2.578 1
1 513 . 15 1 1 A 48 48 TYR CB C 48 35.775 38.848 -3.073 1
1 516 . 15 1 1 A 48 48 TYR N N 48 121.176 121.992 -0.816 1
1 517 . 15 1 1 A 49 49 LEU H H 49 6.926 8.521 -1.595 1
1 518 . 15 1 1 A 49 49 LEU HA H 49 3.776 3.428 0.347 1
1 528 . 15 1 1 A 49 49 LEU CA C 49 54.688 58.036 -3.348 1
1 529 . 15 1 1 A 49 49 LEU CB C 49 40.938 41.494 -0.556 1
1 533 . 15 1 1 A 49 49 LEU N N 49 116.307 120.069 -3.762 1
1 534 . 15 1 1 A 50 50 GLU H H 50 7.894 7.673 0.222 1
1 535 . 15 1 1 A 50 50 GLU HA H 50 4.212 3.984 0.228 1
1 540 . 15 1 1 A 50 50 GLU CA C 50 53.616 57.824 -4.208 1
1 541 . 15 1 1 A 50 50 GLU CB C 50 28.924 29.662 -0.738 1
1 543 . 15 1 1 A 50 50 GLU N N 50 114.774 115.544 -0.770 1
1 544 . 15 1 1 A 51 51 GLY H H 51 7.768 7.051 0.717 1
1 545 . 15 1 1 A 51 51 GLY HA2 H 51 4.168 4.019 0.149 1
1 546 . 15 1 1 A 51 51 GLY HA3 H 51 3.770 4.026 -0.256 1
1 547 . 15 1 1 A 51 51 GLY CA C 51 42.188 44.688 -2.500 1
1 548 . 15 1 1 A 51 51 GLY N N 51 109.724 104.253 5.471 1
1 549 . 15 1 1 A 52 52 THR H H 52 8.230 8.690 -0.460 1
1 550 . 15 1 1 A 52 52 THR HA H 52 3.687 4.267 -0.580 1
1 555 . 15 1 1 A 52 52 THR CA C 52 62.813 65.017 -2.204 1
1 556 . 15 1 1 A 52 52 THR CB C 52 66.564 69.039 -2.475 1
1 558 . 15 1 1 A 52 52 THR N N 52 111.611 114.018 -2.407 1
1 559 . 15 1 1 A 53 53 GLN H H 53 8.342 7.698 0.644 1
1 560 . 15 1 1 A 53 53 GLN HA H 53 3.784 4.046 -0.262 1
1 566 . 15 1 1 A 53 53 GLN CA C 53 57.117 58.733 -1.616 1
1 567 . 15 1 1 A 53 53 GLN CB C 53 24.521 28.545 -4.024 1
1 569 . 15 1 1 A 53 53 GLN N N 53 122.288 121.868 0.420 1
1 571 . 15 1 1 A 54 54 LYS H H 54 8.236 7.882 0.354 1
1 572 . 15 1 1 A 54 54 LYS HA H 54 3.784 4.015 -0.231 1
1 579 . 15 1 1 A 54 54 LYS CA C 54 57.230 59.182 -1.952 1
1 580 . 15 1 1 A 54 54 LYS CB C 54 28.437 32.025 -3.588 1
1 584 . 15 1 1 A 54 54 LYS N N 54 121.397 119.012 2.385 1
1 585 . 15 1 1 A 55 55 ALA H H 55 7.207 7.763 -0.556 1
1 586 . 15 1 1 A 55 55 ALA HA H 55 3.893 4.131 -0.238 1
1 590 . 15 1 1 A 55 55 ALA CA C 55 49.063 55.163 -6.100 1
1 591 . 15 1 1 A 55 55 ALA CB C 55 16.562 18.326 -1.764 1
1 592 . 15 1 1 A 55 55 ALA N N 55 121.624 122.464 -0.840 1
1 593 . 15 1 1 A 56 56 LYS H H 56 8.199 8.043 0.156 1
1 594 . 15 1 1 A 56 56 LYS HA H 56 2.316 2.499 -0.183 1
1 602 . 15 1 1 A 56 56 LYS CA C 56 56.514 59.056 -2.542 1
1 603 . 15 1 1 A 56 56 LYS CB C 56 29.527 31.775 -2.248 1
1 607 . 15 1 1 A 56 56 LYS N N 56 124.153 117.792 6.361 1
1 608 . 15 1 1 A 57 57 LYS H H 57 7.801 7.944 -0.142 1
1 609 . 15 1 1 A 57 57 LYS HA H 57 3.696 4.018 -0.322 1
1 616 . 15 1 1 A 57 57 LYS CA C 57 57.305 59.152 -1.847 1
1 617 . 15 1 1 A 57 57 LYS CB C 57 29.790 32.592 -2.802 1
1 621 . 15 1 1 A 57 57 LYS N N 57 120.226 117.989 2.237 1
1 622 . 15 1 1 A 58 58 LEU H H 58 7.748 8.077 -0.329 1
1 623 . 15 1 1 A 58 58 LEU HA H 58 4.014 4.061 -0.047 1
1 633 . 15 1 1 A 58 58 LEU CA C 58 55.912 57.896 -1.984 1
1 634 . 15 1 1 A 58 58 LEU CB C 58 39.313 41.999 -2.686 1
1 638 . 15 1 1 A 58 58 LEU N N 58 118.589 120.739 -2.150 1
1 639 . 15 1 1 A 59 59 PHE H H 59 7.587 8.865 -1.278 1
1 640 . 15 1 1 A 59 59 PHE HA H 59 4.181 4.179 0.002 1
1 648 . 15 1 1 A 59 59 PHE CA C 59 59.036 61.277 -2.241 1
1 649 . 15 1 1 A 59 59 PHE CB C 59 36.340 38.830 -2.490 1
1 653 . 15 1 1 A 59 59 PHE N N 59 122.478 119.169 3.309 1
1 654 . 15 1 1 A 60 60 LEU H H 60 8.576 8.917 -0.341 1
1 655 . 15 1 1 A 60 60 LEU HA H 60 3.528 3.619 -0.091 1
1 665 . 15 1 1 A 60 60 LEU CA C 60 55.084 58.056 -2.972 1
1 666 . 15 1 1 A 60 60 LEU CB C 60 38.259 41.547 -3.288 1
1 670 . 15 1 1 A 60 60 LEU N N 60 120.969 119.409 1.560 1
1 671 . 15 1 1 A 61 61 GLN H H 61 7.956 8.276 -0.320 1
1 672 . 15 1 1 A 61 61 GLN HA H 61 3.892 3.921 -0.029 1
1 679 . 15 1 1 A 61 61 GLN CA C 61 56.326 59.100 -2.774 1
1 680 . 15 1 1 A 61 61 GLN CB C 61 25.581 28.210 -2.629 1
1 682 . 15 1 1 A 61 61 GLN N N 61 119.668 116.579 3.089 1
1 684 . 15 1 1 A 62 62 HIS H H 62 7.487 7.948 -0.461 1
1 685 . 15 1 1 A 62 62 HIS HA H 62 4.130 4.276 -0.146 1
1 690 . 15 1 1 A 62 62 HIS CA C 62 57.531 59.793 -2.262 1
1 691 . 15 1 1 A 62 62 HIS CB C 62 28.134 29.361 -1.227 1
1 694 . 15 1 1 A 62 62 HIS N N 62 121.475 119.571 1.904 1
1 695 . 15 1 1 A 63 63 ILE H H 63 7.747 8.404 -0.657 1
1 696 . 15 1 1 A 63 63 ILE HA H 63 3.297 3.516 -0.219 1
1 706 . 15 1 1 A 63 63 ILE CA C 63 60.408 65.561 -5.153 1
1 707 . 15 1 1 A 63 63 ILE CB C 63 33.437 37.798 -4.361 1
1 710 . 15 1 1 A 63 63 ILE N N 63 116.455 119.707 -3.252 1
1 711 . 15 1 1 A 64 64 HIS H H 64 7.703 8.251 -0.548 1
1 712 . 15 1 1 A 64 64 HIS HA H 64 3.983 4.159 -0.176 1
1 718 . 15 1 1 A 64 64 HIS CA C 64 57.832 59.824 -1.992 1
1 719 . 15 1 1 A 64 64 HIS CB C 64 27.382 29.852 -2.470 1
1 722 . 15 1 1 A 64 64 HIS N N 64 118.476 119.600 -1.124 1
1 723 . 15 1 1 A 65 65 ARG H H 65 7.501 8.603 -1.102 1
1 724 . 15 1 1 A 65 65 ARG HA H 65 3.789 3.943 -0.154 1
1 731 . 15 1 1 A 65 65 ARG CA C 65 56.966 59.842 -2.876 1
1 732 . 15 1 1 A 65 65 ARG CB C 65 27.194 29.958 -2.764 1
1 735 . 15 1 1 A 65 65 ARG N N 65 119.155 117.742 1.413 1
1 736 . 15 1 1 A 66 66 LEU H H 66 7.708 8.819 -1.111 1
1 737 . 15 1 1 A 66 66 LEU HA H 66 3.791 3.847 -0.056 1
1 747 . 15 1 1 A 66 66 LEU CA C 66 54.143 57.997 -3.854 1
1 748 . 15 1 1 A 66 66 LEU CB C 66 39.688 41.705 -2.017 1
1 752 . 15 1 1 A 66 66 LEU N N 66 118.791 121.074 -2.283 1
1 753 . 15 1 1 A 67 67 LYS H H 67 7.573 7.644 -0.071 1
1 754 . 15 1 1 A 67 67 LYS HA H 67 3.358 4.164 -0.806 1
1 761 . 15 1 1 A 67 67 LYS CA C 67 55.255 58.724 -3.469 1
1 762 . 15 1 1 A 67 67 LYS CB C 67 30.352 32.335 -1.983 1
1 766 . 15 1 1 A 67 67 LYS N N 67 118.232 118.125 0.107 1
1 767 . 15 1 1 A 68 68 HIS H H 68 7.398 8.157 -0.759 1
1 768 . 15 1 1 A 68 68 HIS HA H 68 4.287 4.786 -0.499 1
1 774 . 15 1 1 A 68 68 HIS CA C 68 53.438 54.811 -1.373 1
1 775 . 15 1 1 A 68 68 HIS CB C 68 27.156 30.967 -3.811 1
1 778 . 15 1 1 A 68 68 HIS N N 68 116.826 113.531 3.295 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 63 2.953 1
3 1 1 1 "RMS(OBS, PRED)" CB 60 2.696 1
4 1 1 1 "RMS(OBS, PRED)" H 62 0.742 1
5 1 1 1 "RMS(OBS, PRED)" HA 64 0.358 1
6 1 1 1 "RMS(OBS, PRED)" N 60 2.587 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 63 2.879 1
9 1 2 1 "RMS(OBS, PRED)" CB 60 2.739 1
10 1 2 1 "RMS(OBS, PRED)" H 62 0.695 1
11 1 2 1 "RMS(OBS, PRED)" HA 64 0.351 1
12 1 2 1 "RMS(OBS, PRED)" N 60 2.577 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 63 2.958 1
15 1 3 1 "RMS(OBS, PRED)" CB 60 2.720 1
16 1 3 1 "RMS(OBS, PRED)" H 62 0.689 1
17 1 3 1 "RMS(OBS, PRED)" HA 64 0.346 1
18 1 3 1 "RMS(OBS, PRED)" N 60 2.568 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 63 2.993 1
21 1 4 1 "RMS(OBS, PRED)" CB 60 2.607 1
22 1 4 1 "RMS(OBS, PRED)" H 62 0.741 1
23 1 4 1 "RMS(OBS, PRED)" HA 64 0.343 1
24 1 4 1 "RMS(OBS, PRED)" N 60 2.457 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 63 2.909 1
27 1 5 1 "RMS(OBS, PRED)" CB 60 2.725 1
28 1 5 1 "RMS(OBS, PRED)" H 62 0.720 1
29 1 5 1 "RMS(OBS, PRED)" HA 64 0.349 1
30 1 5 1 "RMS(OBS, PRED)" N 60 2.404 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 63 2.893 1
33 1 6 1 "RMS(OBS, PRED)" CB 60 2.746 1
34 1 6 1 "RMS(OBS, PRED)" H 62 0.702 1
35 1 6 1 "RMS(OBS, PRED)" HA 64 0.362 1
36 1 6 1 "RMS(OBS, PRED)" N 60 2.577 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 63 2.927 1
39 1 7 1 "RMS(OBS, PRED)" CB 60 2.674 1
40 1 7 1 "RMS(OBS, PRED)" H 62 0.751 1
41 1 7 1 "RMS(OBS, PRED)" HA 64 0.367 1
42 1 7 1 "RMS(OBS, PRED)" N 60 2.546 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 63 2.938 1
45 1 8 1 "RMS(OBS, PRED)" CB 60 2.766 1
46 1 8 1 "RMS(OBS, PRED)" H 62 0.725 1
47 1 8 1 "RMS(OBS, PRED)" HA 64 0.340 1
48 1 8 1 "RMS(OBS, PRED)" N 60 2.493 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 63 2.993 1
51 1 9 1 "RMS(OBS, PRED)" CB 60 2.685 1
52 1 9 1 "RMS(OBS, PRED)" H 62 0.706 1
53 1 9 1 "RMS(OBS, PRED)" HA 64 0.369 1
54 1 9 1 "RMS(OBS, PRED)" N 60 2.566 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 63 2.899 1
57 1 10 1 "RMS(OBS, PRED)" CB 60 2.692 1
58 1 10 1 "RMS(OBS, PRED)" H 62 0.701 1
59 1 10 1 "RMS(OBS, PRED)" HA 64 0.372 1
60 1 10 1 "RMS(OBS, PRED)" N 60 2.680 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 63 2.904 1
63 1 11 1 "RMS(OBS, PRED)" CB 60 2.722 1
64 1 11 1 "RMS(OBS, PRED)" H 62 0.720 1
65 1 11 1 "RMS(OBS, PRED)" HA 64 0.346 1
66 1 11 1 "RMS(OBS, PRED)" N 60 2.460 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 63 2.920 1
69 1 12 1 "RMS(OBS, PRED)" CB 60 2.694 1
70 1 12 1 "RMS(OBS, PRED)" H 62 0.700 1
71 1 12 1 "RMS(OBS, PRED)" HA 64 0.336 1
72 1 12 1 "RMS(OBS, PRED)" N 60 2.609 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 63 2.971 1
75 1 13 1 "RMS(OBS, PRED)" CB 60 2.647 1
76 1 13 1 "RMS(OBS, PRED)" H 62 0.661 1
77 1 13 1 "RMS(OBS, PRED)" HA 64 0.335 1
78 1 13 1 "RMS(OBS, PRED)" N 60 2.489 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 63 2.885 1
81 1 14 1 "RMS(OBS, PRED)" CB 60 2.712 1
82 1 14 1 "RMS(OBS, PRED)" H 62 0.747 1
83 1 14 1 "RMS(OBS, PRED)" HA 64 0.354 1
84 1 14 1 "RMS(OBS, PRED)" N 60 2.646 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 63 2.928 1
87 1 15 1 "RMS(OBS, PRED)" CB 60 2.794 1
88 1 15 1 "RMS(OBS, PRED)" H 62 0.692 1
89 1 15 1 "RMS(OBS, PRED)" HA 64 0.369 1
90 1 15 1 "RMS(OBS, PRED)" N 60 2.506 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 17 . 1 1 A 6 6 GLN H H 6 8.338 8.303 0.035 2
1 18 . 1 1 A 6 6 GLN HA H 6 4.087 4.231 -0.145 2
1 23 . 1 1 A 6 6 GLN CA C 6 54.294 57.160 -2.866 2
1 24 . 1 1 A 6 6 GLN CB C 6 25.937 28.215 -2.278 2
1 26 . 1 1 A 7 7 GLN H H 7 8.102 8.442 -0.340 2
1 27 . 1 1 A 7 7 GLN HA H 7 4.022 4.369 -0.347 2
1 33 . 1 1 A 7 7 GLN CA C 7 54.971 58.145 -3.174 2
1 34 . 1 1 A 7 7 GLN CB C 7 26.139 29.095 -2.956 2
1 36 . 1 1 A 7 7 GLN N N 7 121.077 119.884 1.193 2
1 38 . 1 1 A 8 8 ILE H H 8 7.931 8.022 -0.091 2
1 39 . 1 1 A 8 8 ILE HA H 8 3.707 3.892 -0.186 2
1 49 . 1 1 A 8 8 ILE CA C 8 60.313 64.811 -4.498 2
1 50 . 1 1 A 8 8 ILE CB C 8 35.549 37.553 -2.004 2
1 54 . 1 1 A 8 8 ILE N N 8 121.658 119.427 2.231 2
1 55 . 1 1 A 9 9 ALA H H 9 8.066 7.667 0.400 2
1 56 . 1 1 A 9 9 ALA HA H 9 4.154 4.459 -0.305 2
1 60 . 1 1 A 9 9 ALA CA C 9 51.535 53.750 -2.215 2
1 61 . 1 1 A 9 9 ALA CB C 9 16.982 20.047 -3.066 2
1 62 . 1 1 A 9 9 ALA N N 9 125.451 123.123 2.328 2
1 63 . 1 1 A 10 10 THR H H 10 8.341 8.350 -0.010 2
1 64 . 1 1 A 10 10 THR HA H 10 4.080 4.167 -0.087 2
1 69 . 1 1 A 10 10 THR CA C 10 60.938 65.006 -4.068 2
1 70 . 1 1 A 10 10 THR CB C 10 67.814 68.374 -0.560 2
1 72 . 1 1 A 10 10 THR N N 10 113.598 111.214 2.384 2
1 73 . 1 1 A 11 11 ALA H H 11 8.169 8.235 -0.066 2
1 74 . 1 1 A 11 11 ALA HA H 11 3.978 4.067 -0.089 2
1 78 . 1 1 A 11 11 ALA CA C 11 52.638 55.543 -2.905 2
1 79 . 1 1 A 11 11 ALA CB C 11 15.450 18.421 -2.971 2
1 80 . 1 1 A 12 12 LYS H H 12 8.742 8.006 0.735 2
1 81 . 1 1 A 12 12 LYS HA H 12 3.433 3.656 -0.223 2
1 89 . 1 1 A 12 12 LYS CA C 12 57.832 59.611 -1.779 2
1 90 . 1 1 A 12 12 LYS CB C 12 29.978 32.258 -2.280 2
1 93 . 1 1 A 12 12 LYS N N 12 121.423 118.556 2.867 2
1 94 . 1 1 A 13 13 ASP H H 13 7.689 8.798 -1.110 2
1 95 . 1 1 A 13 13 ASP HA H 13 4.026 4.326 -0.300 2
1 98 . 1 1 A 13 13 ASP CA C 13 54.896 57.568 -2.672 2
1 99 . 1 1 A 13 13 ASP CB C 13 37.904 41.920 -4.016 2
1 100 . 1 1 A 13 13 ASP N N 13 119.535 119.434 0.101 2
1 101 . 1 1 A 14 14 LYS H H 14 7.806 8.333 -0.528 2
1 102 . 1 1 A 14 14 LYS HA H 14 3.803 4.238 -0.435 2
1 105 . 1 1 A 14 14 LYS CA C 14 56.563 59.019 -2.456 2
1 106 . 1 1 A 14 14 LYS N N 14 117.395 119.711 -2.316 2
1 107 . 1 1 A 15 15 TYR H H 15 7.867 8.353 -0.485 2
1 108 . 1 1 A 15 15 TYR HA H 15 4.038 4.165 -0.127 2
1 115 . 1 1 A 15 15 TYR CA C 15 58.284 61.671 -3.387 2
1 116 . 1 1 A 15 15 TYR CB C 15 35.361 38.552 -3.191 2
1 119 . 1 1 A 15 15 TYR N N 15 120.763 121.148 -0.385 2
1 120 . 1 1 A 16 16 GLU H H 16 8.575 8.988 -0.413 2
1 121 . 1 1 A 16 16 GLU HA H 16 3.178 3.884 -0.706 2
1 126 . 1 1 A 16 16 GLU CA C 16 58.622 59.063 -0.441 2
1 127 . 1 1 A 16 16 GLU CB C 16 26.562 29.169 -2.607 2
1 129 . 1 1 A 16 16 GLU N N 16 119.244 117.161 2.083 2
1 130 . 1 1 A 17 17 TRP H H 17 8.082 7.827 0.255 2
1 131 . 1 1 A 17 17 TRP HA H 17 4.124 4.718 -0.594 2
1 140 . 1 1 A 17 17 TRP CA C 17 57.229 61.019 -3.790 2
1 141 . 1 1 A 17 17 TRP CB C 17 25.612 29.635 -4.023 2
1 147 . 1 1 A 17 17 TRP N N 17 120.589 123.144 -2.555 2
1 149 . 1 1 A 18 18 LEU H H 18 7.619 8.574 -0.955 2
1 150 . 1 1 A 18 18 LEU HA H 18 3.553 2.983 0.570 2
1 160 . 1 1 A 18 18 LEU CA C 18 55.837 57.720 -1.883 2
1 161 . 1 1 A 18 18 LEU CB C 18 38.786 41.406 -2.620 2
1 165 . 1 1 A 18 18 LEU N N 18 122.925 119.789 3.136 2
1 166 . 1 1 A 19 19 VAL H H 19 8.069 8.024 0.045 2
1 167 . 1 1 A 19 19 VAL HA H 19 3.060 3.470 -0.411 2
1 175 . 1 1 A 19 19 VAL CA C 19 64.268 66.167 -1.899 2
1 176 . 1 1 A 19 19 VAL CB C 19 28.849 31.181 -2.332 2
1 179 . 1 1 A 19 19 VAL N N 19 118.738 118.685 0.053 2
1 180 . 1 1 A 20 20 SER H H 20 7.380 7.604 -0.225 2
1 181 . 1 1 A 20 20 SER HA H 20 3.569 4.313 -0.744 2
1 184 . 1 1 A 20 20 SER CA C 20 59.063 60.518 -1.455 2
1 185 . 1 1 A 20 20 SER CB C 20 60.354 62.781 -2.427 2
1 186 . 1 1 A 20 20 SER N N 20 111.215 114.323 -3.108 2
1 187 . 1 1 A 21 21 ARG H H 21 7.290 8.468 -1.177 2
1 188 . 1 1 A 21 21 ARG HA H 21 3.860 4.139 -0.280 2
1 195 . 1 1 A 21 21 ARG CA C 21 55.197 57.978 -2.781 2
1 196 . 1 1 A 21 21 ARG CB C 21 28.021 29.172 -1.151 2
1 199 . 1 1 A 21 21 ARG N N 21 119.898 121.844 -1.946 2
1 200 . 1 1 A 22 22 ILE H H 22 7.695 7.177 0.518 2
1 201 . 1 1 A 22 22 ILE HA H 22 3.900 4.057 -0.157 2
1 211 . 1 1 A 22 22 ILE CA C 22 59.337 62.885 -3.548 2
1 212 . 1 1 A 22 22 ILE CB C 22 36.562 38.700 -2.138 2
1 216 . 1 1 A 22 22 ILE N N 22 116.745 118.868 -2.123 2
1 217 . 1 1 A 23 23 VAL H H 23 7.969 7.835 0.134 2
1 218 . 1 1 A 23 23 VAL HA H 23 3.887 4.186 -0.299 2
1 226 . 1 1 A 23 23 VAL CA C 23 60.956 63.184 -2.228 2
1 227 . 1 1 A 23 23 VAL CB C 23 28.307 31.456 -3.149 2
1 230 . 1 1 A 23 23 VAL N N 23 122.152 120.325 1.827 2
1 231 . 1 1 A 24 24 LYS H H 24 9.007 8.796 0.211 2
1 232 . 1 1 A 24 24 LYS HA H 24 4.285 4.523 -0.238 2
1 239 . 1 1 A 24 24 LYS CA C 24 52.838 57.623 -4.785 2
1 240 . 1 1 A 24 24 LYS CB C 24 30.937 34.111 -3.174 2
1 244 . 1 1 A 24 24 LYS N N 24 127.138 128.460 -1.322 2
1 245 . 1 1 A 25 25 ASN H H 25 7.936 8.019 -0.084 2
1 246 . 1 1 A 25 25 ASN HA H 25 4.727 4.585 0.142 2
1 251 . 1 1 A 25 25 ASN CA C 25 49.688 52.284 -2.596 2
1 252 . 1 1 A 25 25 ASN CB C 25 38.574 37.497 1.077 2
1 253 . 1 1 A 25 25 ASN N N 25 116.900 115.040 1.860 2
1 255 . 1 1 A 26 26 HIS H H 26 8.035 8.143 -0.108 2
1 256 . 1 1 A 26 26 HIS HA H 26 4.096 4.314 -0.218 2
1 262 . 1 1 A 26 26 HIS CA C 26 54.755 57.374 -2.619 2
1 263 . 1 1 A 26 26 HIS CB C 26 27.832 27.574 0.259 2
1 266 . 1 1 A 26 26 HIS N N 26 117.740 117.602 0.138 2
1 267 . 1 1 A 27 27 ASN H H 27 7.949 7.991 -0.042 2
1 268 . 1 1 A 27 27 ASN HA H 27 4.537 4.867 -0.330 2
1 273 . 1 1 A 27 27 ASN CA C 27 50.304 53.091 -2.787 2
1 274 . 1 1 A 27 27 ASN CB C 27 35.850 38.640 -2.790 2
1 275 . 1 1 A 27 27 ASN N N 27 117.497 117.222 0.275 2
1 277 . 1 1 A 28 28 GLU H H 28 7.020 8.010 -0.990 2
1 278 . 1 1 A 28 28 GLU HA H 28 4.171 4.699 -0.528 2
1 283 . 1 1 A 28 28 GLU CA C 28 54.971 55.540 -0.569 2
1 284 . 1 1 A 28 28 GLU CB C 28 28.398 31.586 -3.188 2
1 286 . 1 1 A 28 28 GLU N N 28 120.910 118.470 2.440 2
1 287 . 1 1 A 29 29 ASN H H 29 8.539 8.622 -0.083 2
1 288 . 1 1 A 29 29 ASN HA H 29 5.055 5.386 -0.331 2
1 293 . 1 1 A 29 29 ASN CA C 29 49.375 51.983 -2.608 2
1 294 . 1 1 A 29 29 ASN CB C 29 38.824 40.843 -2.019 2
1 295 . 1 1 A 29 29 ASN N N 29 118.857 118.370 0.487 2
1 297 . 1 1 A 30 30 TRP H H 30 9.219 9.066 0.153 2
1 298 . 1 1 A 30 30 TRP HA H 30 3.637 3.099 0.538 2
1 307 . 1 1 A 30 30 TRP CA C 30 55.988 61.053 -5.065 2
1 308 . 1 1 A 30 30 TRP CB C 30 27.757 29.991 -2.234 2
1 314 . 1 1 A 30 30 TRP N N 30 122.308 127.205 -4.897 2
1 316 . 1 1 A 31 31 LEU H H 31 8.329 8.384 -0.056 2
1 317 . 1 1 A 31 31 LEU HA H 31 3.302 3.322 -0.020 2
1 327 . 1 1 A 31 31 LEU CA C 31 55.874 57.610 -1.736 2
1 328 . 1 1 A 31 31 LEU CB C 31 38.372 41.671 -3.299 2
1 332 . 1 1 A 31 31 LEU N N 31 120.479 119.766 0.713 2
1 333 . 1 1 A 32 32 SER H H 32 7.521 7.851 -0.330 2
1 334 . 1 1 A 32 32 SER HA H 32 3.893 3.996 -0.103 2
1 337 . 1 1 A 32 32 SER CA C 32 58.245 62.316 -4.071 2
1 338 . 1 1 A 32 32 SER CB C 32 60.316 62.889 -2.573 2
1 339 . 1 1 A 32 32 SER N N 32 112.204 113.764 -1.560 2
1 340 . 1 1 A 33 33 VAL H H 33 7.873 7.864 0.010 2
1 341 . 1 1 A 33 33 VAL HA H 33 3.293 3.662 -0.369 2
1 349 . 1 1 A 33 33 VAL CA C 33 63.629 65.398 -1.769 2
1 350 . 1 1 A 33 33 VAL CB C 33 29.000 31.126 -2.126 2
1 353 . 1 1 A 33 33 VAL N N 33 121.321 120.106 1.215 2
1 354 . 1 1 A 34 34 SER H H 34 8.213 7.918 0.295 2
1 355 . 1 1 A 34 34 SER HA H 34 2.777 3.564 -0.787 2
1 358 . 1 1 A 34 34 SER CA C 34 59.063 60.829 -1.766 2
1 359 . 1 1 A 34 34 SER CB C 34 58.438 62.271 -3.833 2
1 360 . 1 1 A 34 34 SER N N 34 116.084 116.703 -0.619 2
1 361 . 1 1 A 35 35 ARG H H 35 6.651 7.745 -1.094 2
1 362 . 1 1 A 35 35 ARG HA H 35 3.649 3.828 -0.179 2
1 367 . 1 1 A 35 35 ARG CA C 35 56.778 59.344 -2.566 2
1 368 . 1 1 A 35 35 ARG CB C 35 26.892 29.918 -3.026 2
1 371 . 1 1 A 35 35 ARG N N 35 120.706 121.639 -0.933 2
1 372 . 1 1 A 36 36 LYS H H 36 7.074 7.808 -0.733 2
1 373 . 1 1 A 36 36 LYS HA H 36 3.840 3.886 -0.046 2
1 380 . 1 1 A 36 36 LYS CA C 36 56.288 59.216 -2.928 2
1 381 . 1 1 A 36 36 LYS CB C 36 30.091 32.120 -2.029 2
1 385 . 1 1 A 36 36 LYS N N 36 118.246 119.190 -0.944 2
1 386 . 1 1 A 37 37 MET H H 37 7.362 8.849 -1.488 2
1 387 . 1 1 A 37 37 MET HA H 37 3.958 3.943 0.014 2
1 395 . 1 1 A 37 37 MET CA C 37 54.972 58.411 -3.439 2
1 396 . 1 1 A 37 37 MET CB C 37 31.521 31.356 0.165 2
1 398 . 1 1 A 37 37 MET N N 37 116.022 118.199 -2.177 2
1 399 . 1 1 A 38 38 GLN H H 38 6.836 8.255 -1.419 2
1 400 . 1 1 A 38 38 GLN HA H 38 3.455 3.901 -0.445 2
1 406 . 1 1 A 38 38 GLN CA C 38 55.938 57.459 -1.521 2
1 407 . 1 1 A 38 38 GLN CB C 38 25.312 27.651 -2.339 2
1 409 . 1 1 A 38 38 GLN N N 38 116.745 117.120 -0.375 2
1 411 . 1 1 A 39 39 ALA H H 39 7.636 7.382 0.254 2
1 412 . 1 1 A 39 39 ALA HA H 39 4.210 4.216 -0.006 2
1 416 . 1 1 A 39 39 ALA CA C 39 50.313 52.802 -2.489 2
1 417 . 1 1 A 39 39 ALA CB C 39 16.278 18.508 -2.230 2
1 418 . 1 1 A 39 39 ALA N N 39 118.576 121.457 -2.881 2
1 419 . 1 1 A 40 40 SER H H 40 8.246 7.740 0.506 2
1 420 . 1 1 A 40 40 SER HA H 40 4.681 4.919 -0.238 2
1 423 . 1 1 A 40 40 SER CA C 40 55.122 55.331 -0.209 2
1 424 . 1 1 A 40 40 SER CB C 40 60.938 65.029 -4.091 2
1 425 . 1 1 A 40 40 SER N N 40 119.184 113.922 5.262 2
1 426 . 1 1 A 41 41 PRO HA H 41 4.083 4.345 -0.262 2
1 432 . 1 1 A 41 41 PRO CA C 41 62.800 65.393 -2.593 2
1 434 . 1 1 A 42 42 GLU H H 42 9.832 8.454 1.378 2
1 435 . 1 1 A 42 42 GLU HA H 42 3.961 4.280 -0.318 2
1 440 . 1 1 A 42 42 GLU CA C 42 57.832 59.642 -1.810 2
1 441 . 1 1 A 42 42 GLU CB C 42 27.812 29.367 -1.555 2
1 443 . 1 1 A 42 42 GLU N N 42 115.590 117.865 -2.275 2
1 444 . 1 1 A 43 43 TYR H H 43 7.138 8.355 -1.217 2
1 445 . 1 1 A 43 43 TYR HA H 43 4.192 4.646 -0.454 2
1 452 . 1 1 A 43 43 TYR CA C 43 58.438 61.798 -3.360 2
1 453 . 1 1 A 43 43 TYR CB C 43 37.812 38.849 -1.037 2
1 456 . 1 1 A 43 43 TYR N N 43 118.651 121.625 -2.974 2
1 457 . 1 1 A 44 44 GLN H H 44 7.832 8.253 -0.420 2
1 458 . 1 1 A 44 44 GLN HA H 44 3.506 3.846 -0.340 2
1 465 . 1 1 A 44 44 GLN CA C 44 56.110 58.932 -2.822 2
1 466 . 1 1 A 44 44 GLN CB C 44 25.161 28.552 -3.391 2
1 468 . 1 1 A 44 44 GLN N N 44 117.515 118.671 -1.156 2
1 470 . 1 1 A 45 45 ASP H H 45 8.967 8.717 0.251 2
1 471 . 1 1 A 45 45 ASP HA H 45 4.224 4.340 -0.116 2
1 474 . 1 1 A 45 45 ASP CA C 45 54.407 57.256 -2.849 2
1 475 . 1 1 A 45 45 ASP CB C 45 37.694 41.133 -3.439 2
1 476 . 1 1 A 45 45 ASP N N 45 118.351 120.198 -1.847 2
1 477 . 1 1 A 46 46 TYR H H 46 6.841 7.929 -1.088 2
1 478 . 1 1 A 46 46 TYR HA H 46 3.775 4.122 -0.347 2
1 485 . 1 1 A 46 46 TYR CA C 46 60.316 61.118 -0.802 2
1 486 . 1 1 A 46 46 TYR CB C 46 36.452 38.593 -2.141 2
1 489 . 1 1 A 46 46 TYR N N 46 118.500 121.031 -2.531 2
1 490 . 1 1 A 47 47 VAL H H 47 8.125 7.841 0.284 2
1 491 . 1 1 A 47 47 VAL HA H 47 2.823 3.379 -0.556 2
1 499 . 1 1 A 47 47 VAL CA C 47 63.553 65.558 -2.005 2
1 500 . 1 1 A 47 47 VAL CB C 47 27.812 30.790 -2.978 2
1 503 . 1 1 A 47 47 VAL N N 47 117.616 119.572 -1.956 2
1 504 . 1 1 A 48 48 TYR H H 48 7.857 8.244 -0.387 2
1 505 . 1 1 A 48 48 TYR HA H 48 3.869 4.179 -0.310 2
1 512 . 1 1 A 48 48 TYR CA C 48 58.622 61.280 -2.658 2
1 513 . 1 1 A 48 48 TYR CB C 48 35.775 38.654 -2.879 2
1 516 . 1 1 A 48 48 TYR N N 48 121.176 121.959 -0.783 2
1 517 . 1 1 A 49 49 LEU H H 49 6.926 8.468 -1.542 2
1 518 . 1 1 A 49 49 LEU HA H 49 3.776 3.521 0.254 2
1 528 . 1 1 A 49 49 LEU CA C 49 54.688 58.097 -3.409 2
1 529 . 1 1 A 49 49 LEU CB C 49 40.938 41.547 -0.609 2
1 533 . 1 1 A 49 49 LEU N N 49 116.307 119.965 -3.658 2
1 534 . 1 1 A 50 50 GLU H H 50 7.894 7.711 0.183 2
1 535 . 1 1 A 50 50 GLU HA H 50 4.212 4.048 0.164 2
1 540 . 1 1 A 50 50 GLU CA C 50 53.616 57.698 -4.082 2
1 541 . 1 1 A 50 50 GLU CB C 50 28.924 29.668 -0.744 2
1 543 . 1 1 A 50 50 GLU N N 50 114.774 116.005 -1.231 2
1 544 . 1 1 A 51 51 GLY H H 51 7.768 6.885 0.883 2
1 545 . 1 1 A 51 51 GLY HA2 H 51 4.168 3.992 0.176 2
1 546 . 1 1 A 51 51 GLY HA3 H 51 3.770 4.001 -0.231 2
1 547 . 1 1 A 51 51 GLY CA C 51 42.188 44.974 -2.786 2
1 548 . 1 1 A 51 51 GLY N N 51 109.724 104.116 5.608 2
1 549 . 1 1 A 52 52 THR H H 52 8.230 8.840 -0.610 2
1 550 . 1 1 A 52 52 THR HA H 52 3.687 4.107 -0.420 2
1 555 . 1 1 A 52 52 THR CA C 52 62.813 65.711 -2.898 2
1 556 . 1 1 A 52 52 THR CB C 52 66.564 68.959 -2.395 2
1 558 . 1 1 A 52 52 THR N N 52 111.611 114.231 -2.620 2
1 559 . 1 1 A 53 53 GLN H H 53 8.342 7.789 0.553 2
1 560 . 1 1 A 53 53 GLN HA H 53 3.784 4.052 -0.268 2
1 566 . 1 1 A 53 53 GLN CA C 53 57.117 58.717 -1.600 2
1 567 . 1 1 A 53 53 GLN CB C 53 24.521 28.370 -3.849 2
1 569 . 1 1 A 53 53 GLN N N 53 122.288 120.248 2.040 2
1 571 . 1 1 A 54 54 LYS H H 54 8.236 7.893 0.344 2
1 572 . 1 1 A 54 54 LYS HA H 54 3.784 4.015 -0.231 2
1 579 . 1 1 A 54 54 LYS CA C 54 57.230 59.083 -1.853 2
1 580 . 1 1 A 54 54 LYS CB C 54 28.437 32.090 -3.653 2
1 584 . 1 1 A 54 54 LYS N N 54 121.397 119.282 2.115 2
1 585 . 1 1 A 55 55 ALA H H 55 7.207 7.965 -0.758 2
1 586 . 1 1 A 55 55 ALA HA H 55 3.893 4.126 -0.233 2
1 590 . 1 1 A 55 55 ALA CA C 55 49.063 55.048 -5.985 2
1 591 . 1 1 A 55 55 ALA CB C 55 16.562 18.268 -1.706 2
1 592 . 1 1 A 55 55 ALA N N 55 121.624 122.371 -0.747 2
1 593 . 1 1 A 56 56 LYS H H 56 8.199 7.929 0.270 2
1 594 . 1 1 A 56 56 LYS HA H 56 2.316 2.499 -0.183 2
1 602 . 1 1 A 56 56 LYS CA C 56 56.514 58.923 -2.409 2
1 603 . 1 1 A 56 56 LYS CB C 56 29.527 31.657 -2.130 2
1 607 . 1 1 A 56 56 LYS N N 56 124.153 117.722 6.431 2
1 608 . 1 1 A 57 57 LYS H H 57 7.801 8.082 -0.281 2
1 609 . 1 1 A 57 57 LYS HA H 57 3.696 3.993 -0.297 2
1 616 . 1 1 A 57 57 LYS CA C 57 57.305 59.286 -1.981 2
1 617 . 1 1 A 57 57 LYS CB C 57 29.790 32.384 -2.594 2
1 621 . 1 1 A 57 57 LYS N N 57 120.226 118.302 1.924 2
1 622 . 1 1 A 58 58 LEU H H 58 7.748 8.140 -0.392 2
1 623 . 1 1 A 58 58 LEU HA H 58 4.014 4.049 -0.035 2
1 633 . 1 1 A 58 58 LEU CA C 58 55.912 57.831 -1.919 2
1 634 . 1 1 A 58 58 LEU CB C 58 39.313 41.983 -2.670 2
1 638 . 1 1 A 58 58 LEU N N 58 118.589 120.823 -2.234 2
1 639 . 1 1 A 59 59 PHE H H 59 7.587 8.747 -1.160 2
1 640 . 1 1 A 59 59 PHE HA H 59 4.181 4.176 0.005 2
1 648 . 1 1 A 59 59 PHE CA C 59 59.036 61.338 -2.302 2
1 649 . 1 1 A 59 59 PHE CB C 59 36.340 38.871 -2.531 2
1 653 . 1 1 A 59 59 PHE N N 59 122.478 119.216 3.262 2
1 654 . 1 1 A 60 60 LEU H H 60 8.576 8.941 -0.365 2
1 655 . 1 1 A 60 60 LEU HA H 60 3.528 3.627 -0.099 2
1 665 . 1 1 A 60 60 LEU CA C 60 55.084 58.096 -3.012 2
1 666 . 1 1 A 60 60 LEU CB C 60 38.259 41.564 -3.305 2
1 670 . 1 1 A 60 60 LEU N N 60 120.969 119.459 1.510 2
1 671 . 1 1 A 61 61 GLN H H 61 7.956 8.399 -0.443 2
1 672 . 1 1 A 61 61 GLN HA H 61 3.892 3.920 -0.028 2
1 679 . 1 1 A 61 61 GLN CA C 61 56.326 58.829 -2.503 2
1 680 . 1 1 A 61 61 GLN CB C 61 25.581 28.348 -2.767 2
1 682 . 1 1 A 61 61 GLN N N 61 119.668 116.697 2.971 2
1 684 . 1 1 A 62 62 HIS H H 62 7.487 8.073 -0.586 2
1 685 . 1 1 A 62 62 HIS HA H 62 4.130 4.245 -0.115 2
1 690 . 1 1 A 62 62 HIS CA C 62 57.531 59.807 -2.276 2
1 691 . 1 1 A 62 62 HIS CB C 62 28.134 29.748 -1.614 2
1 694 . 1 1 A 62 62 HIS N N 62 121.475 119.391 2.084 2
1 695 . 1 1 A 63 63 ILE H H 63 7.747 8.476 -0.729 2
1 696 . 1 1 A 63 63 ILE HA H 63 3.297 3.422 -0.126 2
1 706 . 1 1 A 63 63 ILE CA C 63 60.408 65.527 -5.118 2
1 707 . 1 1 A 63 63 ILE CB C 63 33.437 37.798 -4.361 2
1 710 . 1 1 A 63 63 ILE N N 63 116.455 119.944 -3.489 2
1 711 . 1 1 A 64 64 HIS H H 64 7.703 8.375 -0.672 2
1 712 . 1 1 A 64 64 HIS HA H 64 3.983 4.079 -0.096 2
1 718 . 1 1 A 64 64 HIS CA C 64 57.832 60.167 -2.335 2
1 719 . 1 1 A 64 64 HIS CB C 64 27.382 29.609 -2.227 2
1 722 . 1 1 A 64 64 HIS N N 64 118.476 119.082 -0.606 2
1 723 . 1 1 A 65 65 ARG H H 65 7.501 8.396 -0.895 2
1 724 . 1 1 A 65 65 ARG HA H 65 3.789 4.010 -0.221 2
1 731 . 1 1 A 65 65 ARG CA C 65 56.966 59.589 -2.623 2
1 732 . 1 1 A 65 65 ARG CB C 65 27.194 29.868 -2.674 2
1 735 . 1 1 A 65 65 ARG N N 65 119.155 118.238 0.917 2
1 736 . 1 1 A 66 66 LEU H H 66 7.708 8.628 -0.920 2
1 737 . 1 1 A 66 66 LEU HA H 66 3.791 3.844 -0.053 2
1 747 . 1 1 A 66 66 LEU CA C 66 54.143 57.693 -3.550 2
1 748 . 1 1 A 66 66 LEU CB C 66 39.688 41.591 -1.903 2
1 752 . 1 1 A 66 66 LEU N N 66 118.791 120.256 -1.465 2
1 753 . 1 1 A 67 67 LYS H H 67 7.573 7.757 -0.184 2
1 754 . 1 1 A 67 67 LYS HA H 67 3.358 4.145 -0.787 2
1 761 . 1 1 A 67 67 LYS CA C 67 55.255 58.652 -3.397 2
1 762 . 1 1 A 67 67 LYS CB C 67 30.352 32.425 -2.073 2
1 766 . 1 1 A 67 67 LYS N N 67 118.232 117.120 1.112 2
1 767 . 1 1 A 68 68 HIS H H 68 7.398 8.398 -1.000 2
1 768 . 1 1 A 68 68 HIS HA H 68 4.287 4.772 -0.485 2
1 774 . 1 1 A 68 68 HIS CA C 68 53.438 54.498 -1.060 2
1 775 . 1 1 A 68 68 HIS CB C 68 27.156 30.710 -3.554 2
1 778 . 1 1 A 68 68 HIS N N 68 116.826 113.257 3.569 2
stop_
save_