data_15403_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15403
_Entry.PDB_ID 2JYS
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 88 . 1 1 1 A 9 9 PRO HA H 9 4.410 4.148 0.262 1
1 95 . 1 1 1 A 9 9 PRO C C 9 176.460 176.859 -0.399 1
1 96 . 1 1 1 A 9 9 PRO CA C 9 63.030 62.292 0.738 1
1 97 . 1 1 1 A 9 9 PRO CB C 9 32.210 31.808 0.402 1
1 100 . 1 1 1 A 10 10 LEU H H 10 9.190 8.936 0.254 1
1 101 . 1 1 1 A 10 10 LEU HA H 10 4.640 4.646 -0.006 1
1 111 . 1 1 1 A 10 10 LEU C C 10 176.620 176.713 -0.093 1
1 112 . 1 1 1 A 10 10 LEU CA C 10 53.420 53.759 -0.339 1
1 113 . 1 1 1 A 10 10 LEU CB C 10 44.290 43.035 1.255 1
1 117 . 1 1 1 A 10 10 LEU N N 10 123.060 122.261 0.799 1
1 118 . 1 1 1 A 11 11 GLU H H 11 8.720 8.368 0.352 1
1 119 . 1 1 1 A 11 11 GLU HA H 11 4.490 5.045 -0.555 1
1 124 . 1 1 1 A 11 11 GLU C C 11 176.620 175.863 0.757 1
1 125 . 1 1 1 A 11 11 GLU CA C 11 57.060 55.375 1.685 1
1 126 . 1 1 1 A 11 11 GLU CB C 11 30.820 32.090 -1.270 1
1 128 . 1 1 1 A 11 11 GLU N N 11 121.330 120.036 1.294 1
1 129 . 1 1 1 A 12 12 ALA H H 12 8.760 8.741 0.019 1
1 130 . 1 1 1 A 12 12 ALA HA H 12 5.390 5.344 0.046 1
1 134 . 1 1 1 A 12 12 ALA C C 12 176.040 175.066 0.974 1
1 135 . 1 1 1 A 12 12 ALA CA C 12 50.350 51.056 -0.706 1
1 136 . 1 1 1 A 12 12 ALA CB C 12 24.490 23.888 0.602 1
1 137 . 1 1 1 A 12 12 ALA N N 12 127.010 123.925 3.085 1
1 138 . 1 1 1 A 13 13 GLU H H 13 8.850 9.081 -0.231 1
1 139 . 1 1 1 A 13 13 GLU HA H 13 5.240 5.601 -0.361 1
1 144 . 1 1 1 A 13 13 GLU C C 13 175.320 174.936 0.384 1
1 145 . 1 1 1 A 13 13 GLU CA C 13 55.580 54.936 0.644 1
1 146 . 1 1 1 A 13 13 GLU CB C 13 34.410 32.781 1.629 1
1 148 . 1 1 1 A 13 13 GLU N N 13 119.980 121.340 -1.360 1
1 149 . 1 1 1 A 14 14 ILE H H 14 8.420 9.144 -0.724 1
1 150 . 1 1 1 A 14 14 ILE HA H 14 4.210 4.616 -0.406 1
1 160 . 1 1 1 A 14 14 ILE C C 14 174.520 175.920 -1.400 1
1 161 . 1 1 1 A 14 14 ILE CA C 14 61.000 59.904 1.096 1
1 162 . 1 1 1 A 14 14 ILE CB C 14 40.430 39.189 1.241 1
1 166 . 1 1 1 A 14 14 ILE N N 14 123.990 127.189 -3.199 1
1 167 . 1 1 1 A 15 15 LYS H H 15 9.590 9.328 0.262 1
1 168 . 1 1 1 A 15 15 LYS HA H 15 3.880 4.054 -0.174 1
1 177 . 1 1 1 A 15 15 LYS C C 15 176.880 176.720 0.160 1
1 178 . 1 1 1 A 15 15 LYS CA C 15 57.890 57.474 0.416 1
1 179 . 1 1 1 A 15 15 LYS CB C 15 30.550 30.121 0.429 1
1 183 . 1 1 1 A 15 15 LYS N N 15 124.930 128.590 -3.660 1
1 184 . 1 1 1 A 16 16 GLY H H 16 8.730 8.433 0.297 1
1 185 . 1 1 1 A 16 16 GLY HA2 H 16 3.670 3.899 -0.229 1
1 186 . 1 1 1 A 16 16 GLY HA3 H 16 4.230 3.905 0.325 1
1 187 . 1 1 1 A 16 16 GLY C C 16 174.360 174.502 -0.142 1
1 188 . 1 1 1 A 16 16 GLY CA C 16 45.540 45.298 0.242 1
1 189 . 1 1 1 A 16 16 GLY N N 16 104.580 105.999 -1.419 1
1 190 . 1 1 1 A 17 17 THR H H 17 8.400 8.702 -0.302 1
1 191 . 1 1 1 A 17 17 THR HA H 17 4.490 4.262 0.228 1
1 196 . 1 1 1 A 17 17 THR C C 17 172.970 174.196 -1.226 1
1 197 . 1 1 1 A 17 17 THR CA C 17 62.580 63.656 -1.076 1
1 198 . 1 1 1 A 17 17 THR CB C 17 70.320 69.414 0.906 1
1 200 . 1 1 1 A 17 17 THR N N 17 120.070 116.576 3.494 1
1 201 . 1 1 1 A 18 18 LYS H H 18 8.750 8.784 -0.034 1
1 202 . 1 1 1 A 18 18 LYS HA H 18 4.920 5.034 -0.114 1
1 211 . 1 1 1 A 18 18 LYS C C 18 175.860 175.270 0.590 1
1 212 . 1 1 1 A 18 18 LYS CA C 18 56.350 55.565 0.785 1
1 213 . 1 1 1 A 18 18 LYS CB C 18 32.940 33.979 -1.039 1
1 217 . 1 1 1 A 18 18 LYS N N 18 127.270 127.711 -0.441 1
1 218 . 1 1 1 A 19 19 LEU H H 19 8.750 8.918 -0.168 1
1 219 . 1 1 1 A 19 19 LEU HA H 19 4.850 5.028 -0.178 1
1 229 . 1 1 1 A 19 19 LEU C C 19 174.210 175.806 -1.596 1
1 230 . 1 1 1 A 19 19 LEU CA C 19 55.160 53.490 1.670 1
1 231 . 1 1 1 A 19 19 LEU CB C 19 43.340 46.738 -3.398 1
1 235 . 1 1 1 A 19 19 LEU N N 19 123.470 127.305 -3.835 1
1 236 . 1 1 1 A 20 20 LYS H H 20 8.660 8.409 0.251 1
1 237 . 1 1 1 A 20 20 LYS HA H 20 5.180 4.941 0.239 1
1 246 . 1 1 1 A 20 20 LYS C C 20 175.650 175.771 -0.121 1
1 247 . 1 1 1 A 20 20 LYS CA C 20 54.630 55.596 -0.966 1
1 248 . 1 1 1 A 20 20 LYS CB C 20 34.710 34.330 0.380 1
1 252 . 1 1 1 A 20 20 LYS N N 20 118.320 120.445 -2.125 1
1 253 . 1 1 1 A 21 21 ALA H H 21 8.860 9.131 -0.271 1
1 254 . 1 1 1 A 21 21 ALA HA H 21 5.470 5.418 0.052 1
1 258 . 1 1 1 A 21 21 ALA C C 21 174.740 175.690 -0.950 1
1 259 . 1 1 1 A 21 21 ALA CA C 21 49.510 50.459 -0.949 1
1 260 . 1 1 1 A 21 21 ALA CB C 21 22.990 24.235 -1.245 1
1 261 . 1 1 1 A 21 21 ALA N N 21 120.460 122.833 -2.373 1
1 262 . 1 1 1 A 22 22 HIS H H 22 9.140 8.713 0.427 1
1 263 . 1 1 1 A 22 22 HIS HA H 22 5.070 5.143 -0.073 1
1 268 . 1 1 1 A 22 22 HIS C C 22 174.310 173.906 0.404 1
1 269 . 1 1 1 A 22 22 HIS CA C 22 54.040 53.886 0.154 1
1 270 . 1 1 1 A 22 22 HIS CB C 22 32.390 33.225 -0.835 1
1 272 . 1 1 1 A 22 22 HIS N N 22 119.890 115.581 4.309 1
1 273 . 1 1 1 A 23 23 TRP H H 23 9.160 9.097 0.063 1
1 274 . 1 1 1 A 23 23 TRP HA H 23 4.360 4.882 -0.522 1
1 283 . 1 1 1 A 23 23 TRP C C 23 175.070 174.922 0.148 1
1 284 . 1 1 1 A 23 23 TRP CA C 23 59.160 56.591 2.569 1
1 285 . 1 1 1 A 23 23 TRP CB C 23 30.710 30.500 0.210 1
1 291 . 1 1 1 A 23 23 TRP N N 23 126.610 126.098 0.512 1
1 293 . 1 1 1 A 24 24 ASP H H 24 7.720 7.984 -0.264 1
1 294 . 1 1 1 A 24 24 ASP HA H 24 4.880 4.912 -0.032 1
1 297 . 1 1 1 A 24 24 ASP C C 24 175.340 175.538 -0.198 1
1 298 . 1 1 1 A 24 24 ASP CA C 24 53.030 52.748 0.282 1
1 299 . 1 1 1 A 24 24 ASP CB C 24 43.510 42.456 1.054 1
1 300 . 1 1 1 A 24 24 ASP N N 24 126.750 127.884 -1.134 1
1 301 . 1 1 1 A 25 25 SER H H 25 8.490 8.429 0.061 1
1 302 . 1 1 1 A 25 25 SER HA H 25 3.580 3.514 0.066 1
1 305 . 1 1 1 A 25 25 SER C C 25 175.340 176.446 -1.106 1
1 306 . 1 1 1 A 25 25 SER CA C 25 60.640 60.878 -0.238 1
1 307 . 1 1 1 A 25 25 SER CB C 25 62.990 62.568 0.422 1
1 308 . 1 1 1 A 25 25 SER N N 25 119.220 120.891 -1.671 1
1 309 . 1 1 1 A 26 26 GLY H H 26 8.670 8.056 0.614 1
1 310 . 1 1 1 A 26 26 GLY HA2 H 26 3.630 3.882 -0.252 1
1 311 . 1 1 1 A 26 26 GLY HA3 H 26 4.200 3.889 0.311 1
1 312 . 1 1 1 A 26 26 GLY C C 26 174.190 174.490 -0.300 1
1 313 . 1 1 1 A 26 26 GLY CA C 26 44.760 46.355 -1.595 1
1 314 . 1 1 1 A 26 26 GLY N N 26 109.290 107.292 1.998 1
1 315 . 1 1 1 A 27 27 ALA H H 27 7.550 7.454 0.096 1
1 316 . 1 1 1 A 27 27 ALA HA H 27 4.370 4.304 0.066 1
1 320 . 1 1 1 A 27 27 ALA C C 27 178.430 178.511 -0.081 1
1 321 . 1 1 1 A 27 27 ALA CA C 27 52.240 51.524 0.716 1
1 322 . 1 1 1 A 27 27 ALA CB C 27 18.240 19.456 -1.216 1
1 323 . 1 1 1 A 27 27 ALA N N 27 124.840 123.258 1.582 1
1 324 . 1 1 1 A 28 28 THR H H 28 8.260 8.846 -0.586 1
1 325 . 1 1 1 A 28 28 THR HA H 28 4.230 4.378 -0.148 1
1 330 . 1 1 1 A 28 28 THR C C 28 173.830 174.427 -0.597 1
1 331 . 1 1 1 A 28 28 THR CA C 28 62.180 62.432 -0.252 1
1 332 . 1 1 1 A 28 28 THR CB C 28 69.240 69.286 -0.046 1
1 333 . 1 1 1 A 28 28 THR N N 28 112.480 112.804 -0.324 1
1 334 . 1 1 1 A 29 29 ILE H H 29 7.460 7.591 -0.131 1
1 335 . 1 1 1 A 29 29 ILE HA H 29 4.540 4.789 -0.249 1
1 345 . 1 1 1 A 29 29 ILE C C 29 173.440 174.606 -1.166 1
1 346 . 1 1 1 A 29 29 ILE CA C 29 60.540 59.566 0.974 1
1 347 . 1 1 1 A 29 29 ILE CB C 29 40.780 42.081 -1.301 1
1 351 . 1 1 1 A 29 29 ILE N N 29 118.820 121.904 -3.084 1
1 352 . 1 1 1 A 30 30 THR H H 30 9.380 8.681 0.699 1
1 353 . 1 1 1 A 30 30 THR HA H 30 4.870 4.546 0.324 1
1 358 . 1 1 1 A 30 30 THR C C 30 173.600 173.898 -0.298 1
1 359 . 1 1 1 A 30 30 THR CA C 30 64.280 63.015 1.265 1
1 360 . 1 1 1 A 30 30 THR CB C 30 69.840 69.590 0.250 1
1 361 . 1 1 1 A 30 30 THR N N 30 129.290 121.273 8.017 1
1 362 . 1 1 1 A 31 31 CYS H H 31 9.180 8.910 0.270 1
1 363 . 1 1 1 A 31 31 CYS HA H 31 5.530 5.139 0.391 1
1 366 . 1 1 1 A 31 31 CYS C C 31 174.420 173.998 0.422 1
1 367 . 1 1 1 A 31 31 CYS CA C 31 56.540 57.079 -0.539 1
1 368 . 1 1 1 A 31 31 CYS CB C 31 30.780 30.046 0.734 1
1 369 . 1 1 1 A 31 31 CYS N N 31 122.220 125.260 -3.040 1
1 370 . 1 1 1 A 32 32 VAL H H 32 9.090 8.840 0.250 1
1 371 . 1 1 1 A 32 32 VAL HA H 32 4.710 4.834 -0.124 1
1 379 . 1 1 1 A 32 32 VAL CA C 32 57.300 57.808 -0.508 1
1 380 . 1 1 1 A 32 32 VAL CB C 32 32.860 33.839 -0.979 1
1 383 . 1 1 1 A 32 32 VAL N N 32 117.890 119.769 -1.879 1
1 384 . 1 1 1 A 33 33 PRO HA H 33 4.530 5.252 -0.722 1
1 391 . 1 1 1 A 33 33 PRO C C 33 178.110 177.939 0.171 1
1 392 . 1 1 1 A 33 33 PRO CA C 33 64.140 62.536 1.604 1
1 393 . 1 1 1 A 33 33 PRO CB C 33 32.200 32.504 -0.304 1
1 396 . 1 1 1 A 34 34 GLU H H 34 8.380 8.270 0.110 1
1 397 . 1 1 1 A 34 34 GLU HA H 34 3.730 3.820 -0.090 1
1 402 . 1 1 1 A 34 34 GLU C C 34 177.830 178.595 -0.765 1
1 403 . 1 1 1 A 34 34 GLU CA C 34 59.480 59.723 -0.243 1
1 404 . 1 1 1 A 34 34 GLU CB C 34 29.860 29.358 0.502 1
1 406 . 1 1 1 A 34 34 GLU N N 34 122.200 122.954 -0.754 1
1 407 . 1 1 1 A 35 35 ALA H H 35 9.050 8.148 0.902 1
1 408 . 1 1 1 A 35 35 ALA HA H 35 4.030 3.985 0.045 1
1 412 . 1 1 1 A 35 35 ALA C C 35 180.250 178.485 1.765 1
1 413 . 1 1 1 A 35 35 ALA CA C 35 54.850 54.608 0.242 1
1 414 . 1 1 1 A 35 35 ALA CB C 35 18.160 18.367 -0.207 1
1 415 . 1 1 1 A 35 35 ALA N N 35 123.090 121.252 1.838 1
1 416 . 1 1 1 A 36 36 PHE H H 36 7.510 8.319 -0.809 1
1 417 . 1 1 1 A 36 36 PHE HA H 36 4.370 4.435 -0.065 1
1 425 . 1 1 1 A 36 36 PHE C C 36 174.870 176.962 -2.092 1
1 426 . 1 1 1 A 36 36 PHE CA C 36 60.160 58.923 1.237 1
1 427 . 1 1 1 A 36 36 PHE CB C 36 38.930 39.787 -0.857 1
1 433 . 1 1 1 A 36 36 PHE N N 36 112.030 115.661 -3.631 1
1 434 . 1 1 1 A 37 37 LEU H H 37 7.640 8.421 -0.781 1
1 435 . 1 1 1 A 37 37 LEU HA H 37 4.230 4.534 -0.304 1
1 445 . 1 1 1 A 37 37 LEU C C 37 177.380 177.286 0.094 1
1 446 . 1 1 1 A 37 37 LEU CA C 37 53.080 54.716 -1.636 1
1 447 . 1 1 1 A 37 37 LEU CB C 37 41.050 41.993 -0.943 1
1 451 . 1 1 1 A 37 37 LEU N N 37 116.800 117.899 -1.099 1
1 452 . 1 1 1 A 38 38 GLU H H 38 7.050 8.057 -1.007 1
1 453 . 1 1 1 A 38 38 GLU HA H 38 3.980 3.945 0.035 1
1 458 . 1 1 1 A 38 38 GLU C C 38 176.630 177.429 -0.799 1
1 459 . 1 1 1 A 38 38 GLU CA C 38 59.250 59.753 -0.503 1
1 460 . 1 1 1 A 38 38 GLU CB C 38 29.870 29.316 0.554 1
1 462 . 1 1 1 A 38 38 GLU N N 38 121.260 121.783 -0.523 1
1 463 . 1 1 1 A 39 39 ASP H H 39 8.690 7.808 0.882 1
1 464 . 1 1 1 A 39 39 ASP HA H 39 4.700 4.876 -0.176 1
1 467 . 1 1 1 A 39 39 ASP C C 39 175.570 175.589 -0.019 1
1 468 . 1 1 1 A 39 39 ASP CA C 39 53.760 53.965 -0.205 1
1 469 . 1 1 1 A 39 39 ASP CB C 39 40.010 41.462 -1.452 1
1 470 . 1 1 1 A 39 39 ASP N N 39 115.590 116.421 -0.831 1
1 471 . 1 1 1 A 40 40 GLU H H 40 7.460 8.021 -0.561 1
1 472 . 1 1 1 A 40 40 GLU HA H 40 4.720 4.846 -0.126 1
1 477 . 1 1 1 A 40 40 GLU C C 40 175.660 175.092 0.568 1
1 478 . 1 1 1 A 40 40 GLU CA C 40 54.240 54.992 -0.752 1
1 479 . 1 1 1 A 40 40 GLU CB C 40 31.240 32.561 -1.321 1
1 481 . 1 1 1 A 40 40 GLU N N 40 118.210 117.316 0.894 1
1 482 . 1 1 1 A 41 41 ARG H H 41 9.130 9.114 0.016 1
1 483 . 1 1 1 A 41 41 ARG HA H 41 5.080 5.091 -0.011 1
1 490 . 1 1 1 A 41 41 ARG CA C 41 52.540 54.203 -1.663 1
1 491 . 1 1 1 A 41 41 ARG CB C 41 31.240 33.571 -2.331 1
1 494 . 1 1 1 A 41 41 ARG N N 41 121.830 118.651 3.179 1
1 495 . 1 1 1 A 42 42 PRO HA H 42 3.840 4.288 -0.448 1
1 502 . 1 1 1 A 42 42 PRO C C 42 177.180 177.312 -0.132 1
1 503 . 1 1 1 A 42 42 PRO CA C 42 63.010 62.076 0.934 1
1 504 . 1 1 1 A 42 42 PRO CB C 42 32.490 31.232 1.258 1
1 507 . 1 1 1 A 43 43 ILE H H 43 9.110 7.887 1.223 1
1 508 . 1 1 1 A 43 43 ILE HA H 43 4.410 3.936 0.474 1
1 518 . 1 1 1 A 43 43 ILE C C 43 176.220 175.990 0.230 1
1 519 . 1 1 1 A 43 43 ILE CA C 43 61.480 63.292 -1.812 1
1 520 . 1 1 1 A 43 43 ILE CB C 43 39.510 38.117 1.393 1
1 524 . 1 1 1 A 43 43 ILE N N 43 115.610 119.610 -4.000 1
1 525 . 1 1 1 A 44 44 GLN H H 44 7.750 7.628 0.122 1
1 526 . 1 1 1 A 44 44 GLN HA H 44 4.610 4.711 -0.101 1
1 533 . 1 1 1 A 44 44 GLN C C 44 173.610 174.468 -0.858 1
1 534 . 1 1 1 A 44 44 GLN CA C 44 55.140 54.211 0.929 1
1 535 . 1 1 1 A 44 44 GLN CB C 44 31.460 34.024 -2.564 1
1 537 . 1 1 1 A 44 44 GLN N N 44 118.360 120.122 -1.762 1
1 539 . 1 1 1 A 45 45 THR H H 45 8.560 8.723 -0.163 1
1 540 . 1 1 1 A 45 45 THR HA H 45 5.140 4.984 0.156 1
1 545 . 1 1 1 A 45 45 THR C C 45 177.830 173.461 4.369 1
1 546 . 1 1 1 A 45 45 THR CA C 45 61.450 59.796 1.654 1
1 547 . 1 1 1 A 45 45 THR CB C 45 71.380 71.964 -0.584 1
1 549 . 1 1 1 A 45 45 THR N N 45 115.470 112.437 3.033 1
1 550 . 1 1 1 A 46 46 MET H H 46 9.100 9.738 -0.638 1
1 551 . 1 1 1 A 46 46 MET HA H 46 4.730 5.165 -0.435 1
1 556 . 1 1 1 A 46 46 MET C C 46 173.520 174.444 -0.924 1
1 557 . 1 1 1 A 46 46 MET CA C 46 54.560 54.257 0.303 1
1 558 . 1 1 1 A 46 46 MET CB C 46 36.500 36.862 -0.362 1
1 560 . 1 1 1 A 46 46 MET N N 46 123.160 121.303 1.857 1
1 561 . 1 1 1 A 47 47 LEU H H 47 8.490 8.739 -0.249 1
1 562 . 1 1 1 A 47 47 LEU HA H 47 4.730 5.189 -0.459 1
1 572 . 1 1 1 A 47 47 LEU C C 47 176.210 176.167 0.043 1
1 573 . 1 1 1 A 47 47 LEU CA C 47 54.440 53.526 0.914 1
1 574 . 1 1 1 A 47 47 LEU CB C 47 42.540 43.205 -0.665 1
1 578 . 1 1 1 A 47 47 LEU N N 47 124.300 123.109 1.191 1
1 579 . 1 1 1 A 48 48 ILE H H 48 8.990 9.789 -0.799 1
1 580 . 1 1 1 A 48 48 ILE HA H 48 4.430 4.871 -0.441 1
1 590 . 1 1 1 A 48 48 ILE C C 48 175.040 174.031 1.009 1
1 591 . 1 1 1 A 48 48 ILE CA C 48 59.150 60.076 -0.926 1
1 592 . 1 1 1 A 48 48 ILE CB C 48 39.910 41.549 -1.639 1
1 596 . 1 1 1 A 48 48 ILE N N 48 125.760 124.826 0.934 1
1 597 . 1 1 1 A 49 49 LYS H H 49 8.710 9.081 -0.371 1
1 598 . 1 1 1 A 49 49 LYS HA H 49 4.550 5.107 -0.557 1
1 607 . 1 1 1 A 49 49 LYS C C 49 176.060 175.817 0.243 1
1 608 . 1 1 1 A 49 49 LYS CA C 49 56.570 54.846 1.724 1
1 609 . 1 1 1 A 49 49 LYS CB C 49 33.010 34.608 -1.598 1
1 613 . 1 1 1 A 49 49 LYS N N 49 126.480 128.168 -1.688 1
1 614 . 1 1 1 A 50 50 THR H H 50 8.150 8.929 -0.779 1
1 615 . 1 1 1 A 50 50 THR HA H 50 4.860 5.049 -0.189 1
1 620 . 1 1 1 A 50 50 THR CA C 50 60.030 59.224 0.806 1
1 621 . 1 1 1 A 50 50 THR CB C 50 72.820 71.715 1.105 1
1 623 . 1 1 1 A 50 50 THR N N 50 116.220 116.830 -0.610 1
1 624 . 1 1 1 A 51 51 ILE HA H 51 4.400 3.772 0.628 1
1 634 . 1 1 1 A 51 51 ILE C C 51 176.140 177.938 -1.798 1
1 635 . 1 1 1 A 51 51 ILE CA C 51 63.450 64.495 -1.045 1
1 636 . 1 1 1 A 51 51 ILE CB C 51 37.970 37.912 0.058 1
1 640 . 1 1 1 A 52 52 HIS H H 52 7.820 7.923 -0.103 1
1 641 . 1 1 1 A 52 52 HIS HA H 52 4.830 4.253 0.577 1
1 644 . 1 1 1 A 52 52 HIS C C 52 175.190 175.357 -0.167 1
1 645 . 1 1 1 A 52 52 HIS CA C 52 55.670 59.022 -3.352 1
1 646 . 1 1 1 A 52 52 HIS CB C 52 31.260 30.510 0.750 1
1 647 . 1 1 1 A 52 52 HIS N N 52 118.280 122.392 -4.112 1
1 648 . 1 1 1 A 53 53 GLY H H 53 7.590 7.360 0.230 1
1 649 . 1 1 1 A 53 53 GLY HA2 H 53 3.880 3.927 -0.047 1
1 650 . 1 1 1 A 53 53 GLY HA3 H 53 4.510 3.938 0.572 1
1 651 . 1 1 1 A 53 53 GLY C C 53 173.360 171.477 1.883 1
1 652 . 1 1 1 A 53 53 GLY CA C 53 44.510 45.775 -1.265 1
1 653 . 1 1 1 A 53 53 GLY N N 53 108.490 105.735 2.755 1
1 654 . 1 1 1 A 54 54 GLU H H 54 8.710 8.502 0.208 1
1 655 . 1 1 1 A 54 54 GLU HA H 54 5.050 4.942 0.108 1
1 660 . 1 1 1 A 54 54 GLU C C 54 175.890 175.280 0.610 1
1 661 . 1 1 1 A 54 54 GLU CA C 54 55.980 55.312 0.668 1
1 662 . 1 1 1 A 54 54 GLU CB C 54 31.610 31.584 0.026 1
1 664 . 1 1 1 A 54 54 GLU N N 54 121.850 121.014 0.836 1
1 665 . 1 1 1 A 55 55 LYS H H 55 8.930 9.417 -0.487 1
1 666 . 1 1 1 A 55 55 LYS HA H 55 4.670 5.138 -0.468 1
1 675 . 1 1 1 A 55 55 LYS C C 55 174.630 175.192 -0.562 1
1 676 . 1 1 1 A 55 55 LYS CA C 55 54.750 54.742 0.008 1
1 677 . 1 1 1 A 55 55 LYS CB C 55 35.910 35.730 0.180 1
1 681 . 1 1 1 A 55 55 LYS N N 55 123.380 125.802 -2.422 1
1 682 . 1 1 1 A 56 56 GLN H H 56 8.670 8.808 -0.138 1
1 683 . 1 1 1 A 56 56 GLN HA H 56 4.820 5.170 -0.350 1
1 688 . 1 1 1 A 56 56 GLN C C 56 175.780 174.695 1.085 1
1 689 . 1 1 1 A 56 56 GLN CA C 56 55.500 54.281 1.219 1
1 690 . 1 1 1 A 56 56 GLN CB C 56 29.470 31.520 -2.050 1
1 692 . 1 1 1 A 56 56 GLN N N 56 122.950 121.439 1.511 1
1 693 . 1 1 1 A 57 57 GLN H H 57 9.210 9.179 0.031 1
1 694 . 1 1 1 A 57 57 GLN HA H 57 4.740 4.818 -0.078 1
1 701 . 1 1 1 A 57 57 GLN C C 57 174.100 175.156 -1.056 1
1 702 . 1 1 1 A 57 57 GLN CA C 57 54.760 54.632 0.128 1
1 703 . 1 1 1 A 57 57 GLN CB C 57 32.670 30.915 1.755 1
1 705 . 1 1 1 A 57 57 GLN N N 57 125.030 122.574 2.456 1
1 707 . 1 1 1 A 58 58 ASP H H 58 8.570 8.729 -0.159 1
1 708 . 1 1 1 A 58 58 ASP HA H 58 4.860 4.928 -0.068 1
1 711 . 1 1 1 A 58 58 ASP C C 58 173.690 175.864 -2.174 1
1 712 . 1 1 1 A 58 58 ASP CA C 58 55.090 54.581 0.509 1
1 713 . 1 1 1 A 58 58 ASP CB C 58 42.120 42.170 -0.050 1
1 714 . 1 1 1 A 58 58 ASP N N 58 124.680 123.313 1.367 1
1 715 . 1 1 1 A 59 59 VAL H H 59 8.480 8.780 -0.300 1
1 716 . 1 1 1 A 59 59 VAL HA H 59 4.610 4.967 -0.357 1
1 724 . 1 1 1 A 59 59 VAL C C 59 174.600 174.775 -0.175 1
1 725 . 1 1 1 A 59 59 VAL CA C 59 61.130 61.207 -0.077 1
1 726 . 1 1 1 A 59 59 VAL CB C 59 34.250 34.073 0.177 1
1 729 . 1 1 1 A 59 59 VAL N N 59 121.270 121.528 -0.258 1
1 730 . 1 1 1 A 60 60 TYR H H 60 9.390 9.417 -0.027 1
1 731 . 1 1 1 A 60 60 TYR HA H 60 4.800 5.325 -0.525 1
1 738 . 1 1 1 A 60 60 TYR C C 60 173.840 174.364 -0.524 1
1 739 . 1 1 1 A 60 60 TYR CA C 60 56.840 56.348 0.492 1
1 740 . 1 1 1 A 60 60 TYR CB C 60 41.190 41.777 -0.587 1
1 745 . 1 1 1 A 60 60 TYR N N 60 125.760 125.555 0.205 1
1 746 . 1 1 1 A 61 61 TYR H H 61 9.300 9.080 0.220 1
1 747 . 1 1 1 A 61 61 TYR HA H 61 5.370 5.067 0.303 1
1 754 . 1 1 1 A 61 61 TYR C C 61 174.300 174.339 -0.039 1
1 755 . 1 1 1 A 61 61 TYR CA C 61 57.490 57.150 0.340 1
1 756 . 1 1 1 A 61 61 TYR CB C 61 40.900 39.705 1.195 1
1 761 . 1 1 1 A 61 61 TYR N N 61 122.890 125.402 -2.512 1
1 762 . 1 1 1 A 62 62 LEU H H 62 8.770 8.757 0.013 1
1 763 . 1 1 1 A 62 62 LEU HA H 62 4.780 5.102 -0.322 1
1 773 . 1 1 1 A 62 62 LEU C C 62 174.070 175.747 -1.677 1
1 774 . 1 1 1 A 62 62 LEU CA C 62 53.760 53.329 0.431 1
1 775 . 1 1 1 A 62 62 LEU CB C 62 49.020 45.633 3.387 1
1 779 . 1 1 1 A 62 62 LEU N N 62 129.700 129.022 0.678 1
1 780 . 1 1 1 A 63 63 THR H H 63 7.960 8.690 -0.730 1
1 781 . 1 1 1 A 63 63 THR HA H 63 5.410 5.086 0.324 1
1 786 . 1 1 1 A 63 63 THR C C 63 173.860 174.105 -0.245 1
1 787 . 1 1 1 A 63 63 THR CA C 63 60.850 61.169 -0.319 1
1 788 . 1 1 1 A 63 63 THR CB C 63 69.790 70.320 -0.530 1
1 790 . 1 1 1 A 63 63 THR N N 63 118.460 115.812 2.648 1
1 791 . 1 1 1 A 64 64 PHE H H 64 9.270 8.533 0.737 1
1 792 . 1 1 1 A 64 64 PHE HA H 64 5.100 5.740 -0.640 1
1 800 . 1 1 1 A 64 64 PHE C C 64 172.280 172.546 -0.266 1
1 801 . 1 1 1 A 64 64 PHE CA C 64 56.020 55.307 0.713 1
1 802 . 1 1 1 A 64 64 PHE CB C 64 38.350 41.963 -3.613 1
1 808 . 1 1 1 A 64 64 PHE N N 64 123.960 123.078 0.882 1
1 809 . 1 1 1 A 65 65 LYS H H 65 8.750 8.987 -0.237 1
1 810 . 1 1 1 A 65 65 LYS HA H 65 5.500 4.930 0.570 1
1 819 . 1 1 1 A 65 65 LYS C C 65 176.300 175.923 0.377 1
1 820 . 1 1 1 A 65 65 LYS CA C 65 54.900 55.818 -0.918 1
1 821 . 1 1 1 A 65 65 LYS CB C 65 37.730 33.749 3.981 1
1 825 . 1 1 1 A 65 65 LYS N N 65 117.930 119.943 -2.013 1
1 826 . 1 1 1 A 66 66 VAL H H 66 8.840 9.282 -0.442 1
1 827 . 1 1 1 A 66 66 VAL HA H 66 4.520 4.647 -0.127 1
1 835 . 1 1 1 A 66 66 VAL C C 66 175.550 175.974 -0.424 1
1 836 . 1 1 1 A 66 66 VAL CA C 66 62.130 61.290 0.840 1
1 837 . 1 1 1 A 66 66 VAL CB C 66 35.100 31.869 3.231 1
1 840 . 1 1 1 A 66 66 VAL N N 66 119.330 125.248 -5.918 1
1 841 . 1 1 1 A 67 67 GLN H H 67 9.690 9.263 0.427 1
1 842 . 1 1 1 A 67 67 GLN HA H 67 4.050 4.095 -0.045 1
1 849 . 1 1 1 A 67 67 GLN C C 67 176.300 176.266 0.034 1
1 850 . 1 1 1 A 67 67 GLN CA C 67 56.720 57.218 -0.498 1
1 851 . 1 1 1 A 67 67 GLN CB C 67 28.230 27.010 1.220 1
1 853 . 1 1 1 A 67 67 GLN N N 67 125.930 128.565 -2.635 1
1 855 . 1 1 1 A 68 68 GLY H H 68 8.980 8.709 0.271 1
1 856 . 1 1 1 A 68 68 GLY HA2 H 68 3.510 3.866 -0.356 1
1 857 . 1 1 1 A 68 68 GLY HA3 H 68 4.140 3.873 0.267 1
1 858 . 1 1 1 A 68 68 GLY C C 68 173.410 173.802 -0.392 1
1 859 . 1 1 1 A 68 68 GLY CA C 68 45.460 45.826 -0.366 1
1 860 . 1 1 1 A 68 68 GLY N N 68 103.510 104.196 -0.686 1
1 861 . 1 1 1 A 69 69 ARG H H 69 8.070 7.821 0.249 1
1 862 . 1 1 1 A 69 69 ARG HA H 69 4.400 4.556 -0.156 1
1 869 . 1 1 1 A 69 69 ARG C C 69 174.880 174.882 -0.002 1
1 870 . 1 1 1 A 69 69 ARG CA C 69 54.730 54.283 0.447 1
1 871 . 1 1 1 A 69 69 ARG CB C 69 31.520 31.963 -0.443 1
1 874 . 1 1 1 A 69 69 ARG N N 69 122.680 119.783 2.897 1
1 875 . 1 1 1 A 70 70 LYS H H 70 8.390 8.685 -0.295 1
1 876 . 1 1 1 A 70 70 LYS HA H 70 4.220 4.260 -0.040 1
1 885 . 1 1 1 A 70 70 LYS C C 70 175.330 174.911 0.419 1
1 886 . 1 1 1 A 70 70 LYS CA C 70 57.860 56.927 0.933 1
1 887 . 1 1 1 A 70 70 LYS CB C 70 32.790 32.742 0.048 1
1 891 . 1 1 1 A 70 70 LYS N N 70 123.590 127.175 -3.585 1
1 892 . 1 1 1 A 71 71 VAL H H 71 9.050 8.378 0.672 1
1 893 . 1 1 1 A 71 71 VAL HA H 71 4.140 4.515 -0.375 1
1 901 . 1 1 1 A 71 71 VAL C C 71 173.310 173.993 -0.683 1
1 902 . 1 1 1 A 71 71 VAL CA C 71 61.370 60.469 0.901 1
1 903 . 1 1 1 A 71 71 VAL CB C 71 34.610 35.522 -0.912 1
1 906 . 1 1 1 A 71 71 VAL N N 71 128.340 126.967 1.373 1
1 907 . 1 1 1 A 72 72 GLU H H 72 8.150 8.590 -0.440 1
1 908 . 1 1 1 A 72 72 GLU HA H 72 4.970 4.942 0.028 1
1 913 . 1 1 1 A 72 72 GLU C C 72 174.910 175.428 -0.518 1
1 914 . 1 1 1 A 72 72 GLU CA C 72 54.490 54.853 -0.363 1
1 915 . 1 1 1 A 72 72 GLU CB C 72 31.410 32.535 -1.125 1
1 917 . 1 1 1 A 72 72 GLU N N 72 124.430 125.225 -0.795 1
1 918 . 1 1 1 A 73 73 ALA H H 73 8.420 8.079 0.341 1
1 919 . 1 1 1 A 73 73 ALA HA H 73 4.770 4.658 0.112 1
1 923 . 1 1 1 A 73 73 ALA C C 73 175.140 175.993 -0.853 1
1 924 . 1 1 1 A 73 73 ALA CA C 73 51.050 50.920 0.130 1
1 925 . 1 1 1 A 73 73 ALA CB C 73 23.060 23.226 -0.166 1
1 926 . 1 1 1 A 73 73 ALA N N 73 124.790 122.413 2.377 1
1 927 . 1 1 1 A 74 74 GLU H H 74 8.520 8.498 0.022 1
1 928 . 1 1 1 A 74 74 GLU HA H 74 5.260 5.183 0.077 1
1 933 . 1 1 1 A 74 74 GLU C C 74 176.570 176.468 0.102 1
1 934 . 1 1 1 A 74 74 GLU CA C 74 55.770 56.778 -1.008 1
1 935 . 1 1 1 A 74 74 GLU CB C 74 29.840 30.185 -0.345 1
1 937 . 1 1 1 A 74 74 GLU N N 74 120.480 119.340 1.140 1
1 938 . 1 1 1 A 75 75 VAL H H 75 9.240 9.942 -0.702 1
1 939 . 1 1 1 A 75 75 VAL HA H 75 5.730 5.329 0.401 1
1 947 . 1 1 1 A 75 75 VAL C C 75 174.700 174.276 0.424 1
1 948 . 1 1 1 A 75 75 VAL CA C 75 57.950 59.022 -1.072 1
1 949 . 1 1 1 A 75 75 VAL CB C 75 36.540 35.608 0.932 1
1 952 . 1 1 1 A 75 75 VAL N N 75 113.070 118.871 -5.801 1
1 953 . 1 1 1 A 76 76 LEU H H 76 8.420 8.589 -0.169 1
1 954 . 1 1 1 A 76 76 LEU HA H 76 5.110 4.937 0.173 1
1 964 . 1 1 1 A 76 76 LEU C C 76 176.970 176.680 0.290 1
1 965 . 1 1 1 A 76 76 LEU CA C 76 52.370 53.390 -1.020 1
1 966 . 1 1 1 A 76 76 LEU CB C 76 45.230 43.833 1.397 1
1 970 . 1 1 1 A 76 76 LEU N N 76 117.790 123.986 -6.196 1
1 971 . 1 1 1 A 77 77 ALA H H 77 8.930 8.443 0.487 1
1 972 . 1 1 1 A 77 77 ALA HA H 77 4.500 4.715 -0.215 1
1 976 . 1 1 1 A 77 77 ALA C C 77 177.950 176.781 1.169 1
1 977 . 1 1 1 A 77 77 ALA CA C 77 52.090 52.209 -0.119 1
1 978 . 1 1 1 A 77 77 ALA CB C 77 20.280 19.419 0.861 1
1 979 . 1 1 1 A 77 77 ALA N N 77 122.210 126.943 -4.733 1
1 980 . 1 1 1 A 78 78 SER H H 78 8.380 8.504 -0.124 1
1 981 . 1 1 1 A 78 78 SER HA H 78 5.010 4.968 0.042 1
1 984 . 1 1 1 A 78 78 SER CA C 78 54.230 55.395 -1.165 1
1 985 . 1 1 1 A 78 78 SER CB C 78 66.050 66.197 -0.147 1
1 986 . 1 1 1 A 78 78 SER N N 78 117.830 116.439 1.391 1
1 987 . 1 1 1 A 79 79 PRO HA H 79 4.660 4.470 0.190 1
1 994 . 1 1 1 A 79 79 PRO C C 79 176.150 175.940 0.210 1
1 995 . 1 1 1 A 79 79 PRO CA C 79 62.860 63.396 -0.536 1
1 996 . 1 1 1 A 79 79 PRO CB C 79 31.230 31.544 -0.314 1
1 999 . 1 1 1 A 80 80 TYR H H 80 7.380 7.335 0.045 1
1 1000 . 1 1 1 A 80 80 TYR HA H 80 4.710 4.724 -0.014 1
1 1007 . 1 1 1 A 80 80 TYR C C 80 175.550 175.462 0.088 1
1 1008 . 1 1 1 A 80 80 TYR CA C 80 56.150 57.676 -1.526 1
1 1009 . 1 1 1 A 80 80 TYR CB C 80 38.490 39.345 -0.855 1
1 1014 . 1 1 1 A 80 80 TYR N N 80 120.860 120.411 0.449 1
1 1015 . 1 1 1 A 81 81 ASP H H 81 8.290 9.445 -1.155 1
1 1016 . 1 1 1 A 81 81 ASP HA H 81 4.640 5.021 -0.381 1
1 1019 . 1 1 1 A 81 81 ASP C C 81 175.290 175.083 0.207 1
1 1020 . 1 1 1 A 81 81 ASP CA C 81 53.560 54.168 -0.608 1
1 1021 . 1 1 1 A 81 81 ASP CB C 81 40.650 41.782 -1.132 1
1 1022 . 1 1 1 A 81 81 ASP N N 81 115.600 120.723 -5.123 1
1 1023 . 1 1 1 A 82 82 TYR H H 82 6.680 7.691 -1.011 1
1 1024 . 1 1 1 A 82 82 TYR HA H 82 5.160 5.117 0.043 1
1 1031 . 1 1 1 A 82 82 TYR C C 82 173.930 172.996 0.934 1
1 1032 . 1 1 1 A 82 82 TYR CA C 82 53.190 55.999 -2.809 1
1 1033 . 1 1 1 A 82 82 TYR CB C 82 40.820 41.459 -0.639 1
1 1038 . 1 1 1 A 82 82 TYR N N 82 116.100 116.418 -0.318 1
1 1039 . 1 1 1 A 83 83 ILE H H 83 8.900 8.608 0.292 1
1 1040 . 1 1 1 A 83 83 ILE HA H 83 4.480 4.698 -0.218 1
1 1050 . 1 1 1 A 83 83 ILE C C 83 175.160 174.852 0.308 1
1 1051 . 1 1 1 A 83 83 ILE CA C 83 60.940 59.496 1.444 1
1 1052 . 1 1 1 A 83 83 ILE CB C 83 40.980 41.324 -0.344 1
1 1056 . 1 1 1 A 83 83 ILE N N 83 119.050 119.118 -0.068 1
1 1057 . 1 1 1 A 84 84 LEU H H 84 8.740 9.660 -0.920 1
1 1058 . 1 1 1 A 84 84 LEU HA H 84 5.140 5.206 -0.066 1
1 1068 . 1 1 1 A 84 84 LEU C C 84 174.920 175.163 -0.243 1
1 1069 . 1 1 1 A 84 84 LEU CA C 84 53.800 53.079 0.721 1
1 1070 . 1 1 1 A 84 84 LEU CB C 84 44.100 44.259 -0.159 1
1 1074 . 1 1 1 A 84 84 LEU N N 84 130.660 125.670 4.990 1
1 1075 . 1 1 1 A 85 85 LEU H H 85 9.010 9.269 -0.259 1
1 1076 . 1 1 1 A 85 85 LEU HA H 85 4.470 4.990 -0.520 1
1 1086 . 1 1 1 A 85 85 LEU C C 85 174.660 176.455 -1.795 1
1 1087 . 1 1 1 A 85 85 LEU CA C 85 54.080 53.273 0.807 1
1 1088 . 1 1 1 A 85 85 LEU CB C 85 44.350 44.739 -0.389 1
1 1092 . 1 1 1 A 85 85 LEU N N 85 125.210 124.469 0.741 1
1 1093 . 1 1 1 A 86 86 ASN H H 86 8.370 9.336 -0.966 1
1 1094 . 1 1 1 A 86 86 ASN HA H 86 4.680 4.903 -0.223 1
1 1099 . 1 1 1 A 86 86 ASN CA C 86 49.780 50.678 -0.898 1
1 1100 . 1 1 1 A 86 86 ASN CB C 86 38.890 39.356 -0.466 1
1 1101 . 1 1 1 A 86 86 ASN N N 86 122.970 120.310 2.660 1
1 1103 . 1 1 1 A 87 87 PRO HA H 87 3.600 4.731 -1.131 1
1 1110 . 1 1 1 A 87 87 PRO C C 87 178.740 177.887 0.853 1
1 1111 . 1 1 1 A 87 87 PRO CA C 87 65.050 64.455 0.595 1
1 1112 . 1 1 1 A 87 87 PRO CB C 87 33.160 32.015 1.145 1
1 1115 . 1 1 1 A 88 88 SER H H 88 7.580 8.310 -0.730 1
1 1116 . 1 1 1 A 88 88 SER HA H 88 4.100 4.233 -0.133 1
1 1119 . 1 1 1 A 88 88 SER C C 88 175.480 175.706 -0.226 1
1 1120 . 1 1 1 A 88 88 SER CA C 88 60.730 61.312 -0.582 1
1 1121 . 1 1 1 A 88 88 SER CB C 88 62.870 63.133 -0.263 1
1 1122 . 1 1 1 A 88 88 SER N N 88 109.530 113.292 -3.762 1
1 1123 . 1 1 1 A 89 89 ASP H H 89 8.170 8.550 -0.380 1
1 1124 . 1 1 1 A 89 89 ASP HA H 89 4.770 4.502 0.268 1
1 1127 . 1 1 1 A 89 89 ASP C C 89 175.730 176.626 -0.896 1
1 1128 . 1 1 1 A 89 89 ASP CA C 89 56.030 56.572 -0.542 1
1 1129 . 1 1 1 A 89 89 ASP CB C 89 41.380 40.352 1.028 1
1 1130 . 1 1 1 A 89 89 ASP N N 89 118.600 119.434 -0.834 1
1 1131 . 1 1 1 A 90 90 VAL H H 90 7.050 7.310 -0.260 1
1 1132 . 1 1 1 A 90 90 VAL HA H 90 4.050 2.808 1.242 1
1 1140 . 1 1 1 A 90 90 VAL CA C 90 56.960 58.503 -1.543 1
1 1141 . 1 1 1 A 90 90 VAL CB C 90 31.710 31.328 0.382 1
1 1144 . 1 1 1 A 90 90 VAL N N 90 109.580 115.114 -5.534 1
1 1145 . 1 1 1 A 91 91 PRO HA H 91 4.250 4.402 -0.152 1
1 1152 . 1 1 1 A 91 91 PRO C C 91 176.870 177.673 -0.803 1
1 1153 . 1 1 1 A 91 91 PRO CA C 91 65.190 64.487 0.703 1
1 1154 . 1 1 1 A 91 91 PRO CB C 91 31.470 31.847 -0.377 1
1 1157 . 1 1 1 A 92 92 TRP H H 92 6.720 7.648 -0.928 1
1 1158 . 1 1 1 A 92 92 TRP HA H 92 4.570 4.446 0.124 1
1 1167 . 1 1 1 A 92 92 TRP C C 92 176.630 178.082 -1.452 1
1 1168 . 1 1 1 A 92 92 TRP CA C 92 56.910 59.919 -3.009 1
1 1169 . 1 1 1 A 92 92 TRP CB C 92 27.990 28.441 -0.451 1
1 1175 . 1 1 1 A 92 92 TRP N N 92 115.110 117.714 -2.604 1
1 1177 . 1 1 1 A 93 93 LEU H H 93 7.150 7.349 -0.199 1
1 1178 . 1 1 1 A 93 93 LEU HA H 93 4.220 3.916 0.304 1
1 1188 . 1 1 1 A 93 93 LEU C C 93 176.210 178.517 -2.307 1
1 1189 . 1 1 1 A 93 93 LEU CA C 93 55.350 57.834 -2.484 1
1 1190 . 1 1 1 A 93 93 LEU CB C 93 42.190 40.893 1.297 1
1 1194 . 1 1 1 A 93 93 LEU N N 93 123.090 124.438 -1.348 1
1 1195 . 1 1 1 A 94 94 MET H H 94 7.730 7.881 -0.151 1
1 1196 . 1 1 1 A 94 94 MET HA H 94 4.340 3.894 0.446 1
1 1201 . 1 1 1 A 94 94 MET C C 94 175.550 176.870 -1.320 1
1 1202 . 1 1 1 A 94 94 MET CA C 94 55.120 58.387 -3.267 1
1 1203 . 1 1 1 A 94 94 MET CB C 94 32.630 32.011 0.619 1
1 1205 . 1 1 1 A 94 94 MET N N 94 118.250 116.223 2.027 1
1 1206 . 1 1 1 A 95 95 LYS H H 95 7.950 7.530 0.420 1
1 1207 . 1 1 1 A 95 95 LYS HA H 95 4.260 4.368 -0.108 1
1 1210 . 1 1 1 A 95 95 LYS C C 95 176.130 176.422 -0.292 1
1 1211 . 1 1 1 A 95 95 LYS CA C 95 56.150 55.778 0.372 1
1 1212 . 1 1 1 A 95 95 LYS CB C 95 33.010 32.939 0.071 1
1 1213 . 1 1 1 A 95 95 LYS N N 95 121.650 117.236 4.414 1
1 1214 . 1 1 1 A 96 96 LYS H H 96 8.260 8.413 -0.153 1
1 1215 . 1 1 1 A 96 96 LYS N N 96 123.570 122.573 0.997 1
1 1216 . 1 1 1 A 97 97 PRO HA H 97 4.530 4.622 -0.092 1
1 1219 . 1 1 1 A 97 97 PRO C C 97 176.830 175.223 1.607 1
1 1220 . 1 1 1 A 97 97 PRO CA C 97 63.180 62.703 0.477 1
1 1221 . 1 1 1 A 97 97 PRO CB C 97 32.050 32.546 -0.496 1
1 88 . 2 1 1 A 9 9 PRO HA H 9 4.410 4.314 0.096 1
1 95 . 2 1 1 A 9 9 PRO C C 9 176.460 177.158 -0.698 1
1 96 . 2 1 1 A 9 9 PRO CA C 9 63.030 62.370 0.660 1
1 97 . 2 1 1 A 9 9 PRO CB C 9 32.210 31.627 0.583 1
1 100 . 2 1 1 A 10 10 LEU H H 10 9.190 8.345 0.845 1
1 101 . 2 1 1 A 10 10 LEU HA H 10 4.640 4.534 0.106 1
1 111 . 2 1 1 A 10 10 LEU C C 10 176.620 176.528 0.092 1
1 112 . 2 1 1 A 10 10 LEU CA C 10 53.420 54.295 -0.875 1
1 113 . 2 1 1 A 10 10 LEU CB C 10 44.290 42.644 1.646 1
1 117 . 2 1 1 A 10 10 LEU N N 10 123.060 123.022 0.038 1
1 118 . 2 1 1 A 11 11 GLU H H 11 8.720 8.603 0.117 1
1 119 . 2 1 1 A 11 11 GLU HA H 11 4.490 5.186 -0.696 1
1 124 . 2 1 1 A 11 11 GLU C C 11 176.620 175.308 1.312 1
1 125 . 2 1 1 A 11 11 GLU CA C 11 57.060 55.194 1.866 1
1 126 . 2 1 1 A 11 11 GLU CB C 11 30.820 31.934 -1.114 1
1 128 . 2 1 1 A 11 11 GLU N N 11 121.330 121.884 -0.554 1
1 129 . 2 1 1 A 12 12 ALA H H 12 8.760 8.675 0.085 1
1 130 . 2 1 1 A 12 12 ALA HA H 12 5.390 5.222 0.168 1
1 134 . 2 1 1 A 12 12 ALA C C 12 176.040 175.071 0.969 1
1 135 . 2 1 1 A 12 12 ALA CA C 12 50.350 50.948 -0.598 1
1 136 . 2 1 1 A 12 12 ALA CB C 12 24.490 23.932 0.558 1
1 137 . 2 1 1 A 12 12 ALA N N 12 127.010 127.321 -0.311 1
1 138 . 2 1 1 A 13 13 GLU H H 13 8.850 9.074 -0.224 1
1 139 . 2 1 1 A 13 13 GLU HA H 13 5.240 5.525 -0.285 1
1 144 . 2 1 1 A 13 13 GLU C C 13 175.320 174.841 0.479 1
1 145 . 2 1 1 A 13 13 GLU CA C 13 55.580 54.945 0.635 1
1 146 . 2 1 1 A 13 13 GLU CB C 13 34.410 32.779 1.631 1
1 148 . 2 1 1 A 13 13 GLU N N 13 119.980 121.277 -1.297 1
1 149 . 2 1 1 A 14 14 ILE H H 14 8.420 9.008 -0.588 1
1 150 . 2 1 1 A 14 14 ILE HA H 14 4.210 4.666 -0.456 1
1 160 . 2 1 1 A 14 14 ILE C C 14 174.520 175.953 -1.433 1
1 161 . 2 1 1 A 14 14 ILE CA C 14 61.000 59.955 1.045 1
1 162 . 2 1 1 A 14 14 ILE CB C 14 40.430 39.730 0.700 1
1 166 . 2 1 1 A 14 14 ILE N N 14 123.990 126.963 -2.973 1
1 167 . 2 1 1 A 15 15 LYS H H 15 9.590 9.666 -0.076 1
1 168 . 2 1 1 A 15 15 LYS HA H 15 3.880 4.066 -0.186 1
1 177 . 2 1 1 A 15 15 LYS C C 15 176.880 176.754 0.126 1
1 178 . 2 1 1 A 15 15 LYS CA C 15 57.890 57.530 0.360 1
1 179 . 2 1 1 A 15 15 LYS CB C 15 30.550 30.256 0.294 1
1 183 . 2 1 1 A 15 15 LYS N N 15 124.930 128.522 -3.592 1
1 184 . 2 1 1 A 16 16 GLY H H 16 8.730 8.585 0.145 1
1 185 . 2 1 1 A 16 16 GLY HA2 H 16 3.670 3.851 -0.181 1
1 186 . 2 1 1 A 16 16 GLY HA3 H 16 4.230 3.854 0.376 1
1 187 . 2 1 1 A 16 16 GLY C C 16 174.360 173.931 0.429 1
1 188 . 2 1 1 A 16 16 GLY CA C 16 45.540 45.377 0.163 1
1 189 . 2 1 1 A 16 16 GLY N N 16 104.580 105.736 -1.156 1
1 190 . 2 1 1 A 17 17 THR H H 17 8.400 8.401 -0.001 1
1 191 . 2 1 1 A 17 17 THR HA H 17 4.490 4.400 0.090 1
1 196 . 2 1 1 A 17 17 THR C C 17 172.970 173.761 -0.791 1
1 197 . 2 1 1 A 17 17 THR CA C 17 62.580 62.894 -0.314 1
1 198 . 2 1 1 A 17 17 THR CB C 17 70.320 69.892 0.428 1
1 200 . 2 1 1 A 17 17 THR N N 17 120.070 117.616 2.454 1
1 201 . 2 1 1 A 18 18 LYS H H 18 8.750 8.738 0.012 1
1 202 . 2 1 1 A 18 18 LYS HA H 18 4.920 4.812 0.108 1
1 211 . 2 1 1 A 18 18 LYS C C 18 175.860 176.034 -0.174 1
1 212 . 2 1 1 A 18 18 LYS CA C 18 56.350 56.377 -0.027 1
1 213 . 2 1 1 A 18 18 LYS CB C 18 32.940 33.129 -0.189 1
1 217 . 2 1 1 A 18 18 LYS N N 18 127.270 127.286 -0.016 1
1 218 . 2 1 1 A 19 19 LEU H H 19 8.750 9.020 -0.270 1
1 219 . 2 1 1 A 19 19 LEU HA H 19 4.850 4.964 -0.114 1
1 229 . 2 1 1 A 19 19 LEU C C 19 174.210 175.921 -1.711 1
1 230 . 2 1 1 A 19 19 LEU CA C 19 55.160 53.284 1.876 1
1 231 . 2 1 1 A 19 19 LEU CB C 19 43.340 45.709 -2.369 1
1 235 . 2 1 1 A 19 19 LEU N N 19 123.470 122.478 0.992 1
1 236 . 2 1 1 A 20 20 LYS H H 20 8.660 8.407 0.253 1
1 237 . 2 1 1 A 20 20 LYS HA H 20 5.180 4.715 0.465 1
1 246 . 2 1 1 A 20 20 LYS C C 20 175.650 175.713 -0.063 1
1 247 . 2 1 1 A 20 20 LYS CA C 20 54.630 55.861 -1.231 1
1 248 . 2 1 1 A 20 20 LYS CB C 20 34.710 34.204 0.506 1
1 252 . 2 1 1 A 20 20 LYS N N 20 118.320 120.593 -2.273 1
1 253 . 2 1 1 A 21 21 ALA H H 21 8.860 8.472 0.388 1
1 254 . 2 1 1 A 21 21 ALA HA H 21 5.470 5.355 0.115 1
1 258 . 2 1 1 A 21 21 ALA C C 21 174.740 175.439 -0.699 1
1 259 . 2 1 1 A 21 21 ALA CA C 21 49.510 50.956 -1.446 1
1 260 . 2 1 1 A 21 21 ALA CB C 21 22.990 24.342 -1.352 1
1 261 . 2 1 1 A 21 21 ALA N N 21 120.460 122.098 -1.638 1
1 262 . 2 1 1 A 22 22 HIS H H 22 9.140 9.176 -0.036 1
1 263 . 2 1 1 A 22 22 HIS HA H 22 5.070 5.140 -0.070 1
1 268 . 2 1 1 A 22 22 HIS C C 22 174.310 173.963 0.347 1
1 269 . 2 1 1 A 22 22 HIS CA C 22 54.040 53.859 0.181 1
1 270 . 2 1 1 A 22 22 HIS CB C 22 32.390 33.240 -0.850 1
1 272 . 2 1 1 A 22 22 HIS N N 22 119.890 115.286 4.604 1
1 273 . 2 1 1 A 23 23 TRP H H 23 9.160 9.138 0.022 1
1 274 . 2 1 1 A 23 23 TRP HA H 23 4.360 4.827 -0.467 1
1 283 . 2 1 1 A 23 23 TRP C C 23 175.070 175.135 -0.065 1
1 284 . 2 1 1 A 23 23 TRP CA C 23 59.160 56.728 2.432 1
1 285 . 2 1 1 A 23 23 TRP CB C 23 30.710 30.347 0.363 1
1 291 . 2 1 1 A 23 23 TRP N N 23 126.610 126.290 0.320 1
1 293 . 2 1 1 A 24 24 ASP H H 24 7.720 8.140 -0.420 1
1 294 . 2 1 1 A 24 24 ASP HA H 24 4.880 4.764 0.116 1
1 297 . 2 1 1 A 24 24 ASP C C 24 175.340 175.395 -0.055 1
1 298 . 2 1 1 A 24 24 ASP CA C 24 53.030 52.688 0.342 1
1 299 . 2 1 1 A 24 24 ASP CB C 24 43.510 42.147 1.363 1
1 300 . 2 1 1 A 24 24 ASP N N 24 126.750 127.953 -1.203 1
1 301 . 2 1 1 A 25 25 SER H H 25 8.490 8.384 0.106 1
1 302 . 2 1 1 A 25 25 SER HA H 25 3.580 3.532 0.048 1
1 305 . 2 1 1 A 25 25 SER C C 25 175.340 176.440 -1.100 1
1 306 . 2 1 1 A 25 25 SER CA C 25 60.640 60.953 -0.313 1
1 307 . 2 1 1 A 25 25 SER CB C 25 62.990 62.663 0.327 1
1 308 . 2 1 1 A 25 25 SER N N 25 119.220 119.248 -0.028 1
1 309 . 2 1 1 A 26 26 GLY H H 26 8.670 7.917 0.753 1
1 310 . 2 1 1 A 26 26 GLY HA2 H 26 3.630 3.886 -0.256 1
1 311 . 2 1 1 A 26 26 GLY HA3 H 26 4.200 3.891 0.309 1
1 312 . 2 1 1 A 26 26 GLY C C 26 174.190 174.476 -0.286 1
1 313 . 2 1 1 A 26 26 GLY CA C 26 44.760 46.327 -1.567 1
1 314 . 2 1 1 A 26 26 GLY N N 26 109.290 109.424 -0.134 1
1 315 . 2 1 1 A 27 27 ALA H H 27 7.550 7.412 0.138 1
1 316 . 2 1 1 A 27 27 ALA HA H 27 4.370 4.351 0.019 1
1 320 . 2 1 1 A 27 27 ALA C C 27 178.430 178.538 -0.108 1
1 321 . 2 1 1 A 27 27 ALA CA C 27 52.240 51.197 1.043 1
1 322 . 2 1 1 A 27 27 ALA CB C 27 18.240 19.727 -1.487 1
1 323 . 2 1 1 A 27 27 ALA N N 27 124.840 123.101 1.739 1
1 324 . 2 1 1 A 28 28 THR H H 28 8.260 8.827 -0.567 1
1 325 . 2 1 1 A 28 28 THR HA H 28 4.230 4.342 -0.112 1
1 330 . 2 1 1 A 28 28 THR C C 28 173.830 174.119 -0.289 1
1 331 . 2 1 1 A 28 28 THR CA C 28 62.180 62.738 -0.558 1
1 332 . 2 1 1 A 28 28 THR CB C 28 69.240 69.115 0.125 1
1 333 . 2 1 1 A 28 28 THR N N 28 112.480 113.380 -0.900 1
1 334 . 2 1 1 A 29 29 ILE H H 29 7.460 7.668 -0.208 1
1 335 . 2 1 1 A 29 29 ILE HA H 29 4.540 4.683 -0.143 1
1 345 . 2 1 1 A 29 29 ILE C C 29 173.440 174.516 -1.076 1
1 346 . 2 1 1 A 29 29 ILE CA C 29 60.540 59.292 1.248 1
1 347 . 2 1 1 A 29 29 ILE CB C 29 40.780 41.919 -1.139 1
1 351 . 2 1 1 A 29 29 ILE N N 29 118.820 122.237 -3.417 1
1 352 . 2 1 1 A 30 30 THR H H 30 9.380 8.738 0.642 1
1 353 . 2 1 1 A 30 30 THR HA H 30 4.870 4.546 0.324 1
1 358 . 2 1 1 A 30 30 THR C C 30 173.600 173.848 -0.248 1
1 359 . 2 1 1 A 30 30 THR CA C 30 64.280 63.043 1.237 1
1 360 . 2 1 1 A 30 30 THR CB C 30 69.840 69.550 0.290 1
1 361 . 2 1 1 A 30 30 THR N N 30 129.290 121.933 7.357 1
1 362 . 2 1 1 A 31 31 CYS H H 31 9.180 8.793 0.387 1
1 363 . 2 1 1 A 31 31 CYS HA H 31 5.530 5.186 0.344 1
1 366 . 2 1 1 A 31 31 CYS C C 31 174.420 173.503 0.917 1
1 367 . 2 1 1 A 31 31 CYS CA C 31 56.540 56.852 -0.312 1
1 368 . 2 1 1 A 31 31 CYS CB C 31 30.780 30.339 0.441 1
1 369 . 2 1 1 A 31 31 CYS N N 31 122.220 125.660 -3.440 1
1 370 . 2 1 1 A 32 32 VAL H H 32 9.090 8.749 0.341 1
1 371 . 2 1 1 A 32 32 VAL HA H 32 4.710 4.757 -0.047 1
1 379 . 2 1 1 A 32 32 VAL CA C 32 57.300 57.818 -0.518 1
1 380 . 2 1 1 A 32 32 VAL CB C 32 32.860 33.742 -0.882 1
1 383 . 2 1 1 A 32 32 VAL N N 32 117.890 120.644 -2.754 1
1 384 . 2 1 1 A 33 33 PRO HA H 33 4.530 5.264 -0.734 1
1 391 . 2 1 1 A 33 33 PRO C C 33 178.110 177.795 0.315 1
1 392 . 2 1 1 A 33 33 PRO CA C 33 64.140 62.535 1.605 1
1 393 . 2 1 1 A 33 33 PRO CB C 33 32.200 32.198 0.002 1
1 396 . 2 1 1 A 34 34 GLU H H 34 8.380 8.680 -0.300 1
1 397 . 2 1 1 A 34 34 GLU HA H 34 3.730 3.940 -0.210 1
1 402 . 2 1 1 A 34 34 GLU C C 34 177.830 178.155 -0.325 1
1 403 . 2 1 1 A 34 34 GLU CA C 34 59.480 59.563 -0.083 1
1 404 . 2 1 1 A 34 34 GLU CB C 34 29.860 29.228 0.632 1
1 406 . 2 1 1 A 34 34 GLU N N 34 122.200 124.570 -2.370 1
1 407 . 2 1 1 A 35 35 ALA H H 35 9.050 8.104 0.946 1
1 408 . 2 1 1 A 35 35 ALA HA H 35 4.030 4.049 -0.019 1
1 412 . 2 1 1 A 35 35 ALA C C 35 180.250 178.965 1.285 1
1 413 . 2 1 1 A 35 35 ALA CA C 35 54.850 54.881 -0.031 1
1 414 . 2 1 1 A 35 35 ALA CB C 35 18.160 18.475 -0.315 1
1 415 . 2 1 1 A 35 35 ALA N N 35 123.090 122.029 1.061 1
1 416 . 2 1 1 A 36 36 PHE H H 36 7.510 8.369 -0.859 1
1 417 . 2 1 1 A 36 36 PHE HA H 36 4.370 4.367 0.003 1
1 425 . 2 1 1 A 36 36 PHE C C 36 174.870 176.961 -2.091 1
1 426 . 2 1 1 A 36 36 PHE CA C 36 60.160 59.326 0.834 1
1 427 . 2 1 1 A 36 36 PHE CB C 36 38.930 39.580 -0.650 1
1 433 . 2 1 1 A 36 36 PHE N N 36 112.030 115.295 -3.265 1
1 434 . 2 1 1 A 37 37 LEU H H 37 7.640 8.033 -0.393 1
1 435 . 2 1 1 A 37 37 LEU HA H 37 4.230 4.480 -0.250 1
1 445 . 2 1 1 A 37 37 LEU C C 37 177.380 177.225 0.155 1
1 446 . 2 1 1 A 37 37 LEU CA C 37 53.080 54.728 -1.648 1
1 447 . 2 1 1 A 37 37 LEU CB C 37 41.050 42.100 -1.050 1
1 451 . 2 1 1 A 37 37 LEU N N 37 116.800 117.820 -1.020 1
1 452 . 2 1 1 A 38 38 GLU H H 38 7.050 7.744 -0.694 1
1 453 . 2 1 1 A 38 38 GLU HA H 38 3.980 4.008 -0.028 1
1 458 . 2 1 1 A 38 38 GLU C C 38 176.630 177.052 -0.422 1
1 459 . 2 1 1 A 38 38 GLU CA C 38 59.250 59.057 0.193 1
1 460 . 2 1 1 A 38 38 GLU CB C 38 29.870 29.532 0.338 1
1 462 . 2 1 1 A 38 38 GLU N N 38 121.260 121.779 -0.519 1
1 463 . 2 1 1 A 39 39 ASP H H 39 8.690 7.826 0.864 1
1 464 . 2 1 1 A 39 39 ASP HA H 39 4.700 4.870 -0.170 1
1 467 . 2 1 1 A 39 39 ASP C C 39 175.570 175.172 0.398 1
1 468 . 2 1 1 A 39 39 ASP CA C 39 53.760 53.844 -0.084 1
1 469 . 2 1 1 A 39 39 ASP CB C 39 40.010 41.943 -1.933 1
1 470 . 2 1 1 A 39 39 ASP N N 39 115.590 116.796 -1.206 1
1 471 . 2 1 1 A 40 40 GLU H H 40 7.460 8.212 -0.752 1
1 472 . 2 1 1 A 40 40 GLU HA H 40 4.720 5.019 -0.299 1
1 477 . 2 1 1 A 40 40 GLU C C 40 175.660 175.631 0.029 1
1 478 . 2 1 1 A 40 40 GLU CA C 40 54.240 54.856 -0.616 1
1 479 . 2 1 1 A 40 40 GLU CB C 40 31.240 31.771 -0.531 1
1 481 . 2 1 1 A 40 40 GLU N N 40 118.210 118.074 0.136 1
1 482 . 2 1 1 A 41 41 ARG H H 41 9.130 8.712 0.418 1
1 483 . 2 1 1 A 41 41 ARG HA H 41 5.080 4.917 0.163 1
1 490 . 2 1 1 A 41 41 ARG CA C 41 52.540 52.295 0.245 1
1 491 . 2 1 1 A 41 41 ARG CB C 41 31.240 31.756 -0.516 1
1 494 . 2 1 1 A 41 41 ARG N N 41 121.830 122.074 -0.244 1
1 495 . 2 1 1 A 42 42 PRO HA H 42 3.840 4.136 -0.296 1
1 502 . 2 1 1 A 42 42 PRO C C 42 177.180 177.266 -0.086 1
1 503 . 2 1 1 A 42 42 PRO CA C 42 63.010 62.049 0.961 1
1 504 . 2 1 1 A 42 42 PRO CB C 42 32.490 31.103 1.387 1
1 507 . 2 1 1 A 43 43 ILE H H 43 9.110 8.172 0.938 1
1 508 . 2 1 1 A 43 43 ILE HA H 43 4.410 3.846 0.564 1
1 518 . 2 1 1 A 43 43 ILE C C 43 176.220 176.022 0.198 1
1 519 . 2 1 1 A 43 43 ILE CA C 43 61.480 63.542 -2.062 1
1 520 . 2 1 1 A 43 43 ILE CB C 43 39.510 38.039 1.471 1
1 524 . 2 1 1 A 43 43 ILE N N 43 115.610 120.986 -5.376 1
1 525 . 2 1 1 A 44 44 GLN H H 44 7.750 7.580 0.170 1
1 526 . 2 1 1 A 44 44 GLN HA H 44 4.610 4.701 -0.091 1
1 533 . 2 1 1 A 44 44 GLN C C 44 173.610 174.417 -0.807 1
1 534 . 2 1 1 A 44 44 GLN CA C 44 55.140 54.293 0.847 1
1 535 . 2 1 1 A 44 44 GLN CB C 44 31.460 34.405 -2.945 1
1 537 . 2 1 1 A 44 44 GLN N N 44 118.360 120.004 -1.644 1
1 539 . 2 1 1 A 45 45 THR H H 45 8.560 8.783 -0.223 1
1 540 . 2 1 1 A 45 45 THR HA H 45 5.140 5.057 0.083 1
1 545 . 2 1 1 A 45 45 THR C C 45 177.830 173.573 4.257 1
1 546 . 2 1 1 A 45 45 THR CA C 45 61.450 59.958 1.492 1
1 547 . 2 1 1 A 45 45 THR CB C 45 71.380 71.811 -0.431 1
1 549 . 2 1 1 A 45 45 THR N N 45 115.470 112.432 3.038 1
1 550 . 2 1 1 A 46 46 MET H H 46 9.100 9.459 -0.359 1
1 551 . 2 1 1 A 46 46 MET HA H 46 4.730 4.975 -0.245 1
1 556 . 2 1 1 A 46 46 MET C C 46 173.520 174.407 -0.887 1
1 557 . 2 1 1 A 46 46 MET CA C 46 54.560 54.376 0.184 1
1 558 . 2 1 1 A 46 46 MET CB C 46 36.500 37.165 -0.665 1
1 560 . 2 1 1 A 46 46 MET N N 46 123.160 121.141 2.019 1
1 561 . 2 1 1 A 47 47 LEU H H 47 8.490 8.754 -0.264 1
1 562 . 2 1 1 A 47 47 LEU HA H 47 4.730 5.125 -0.395 1
1 572 . 2 1 1 A 47 47 LEU C C 47 176.210 175.557 0.653 1
1 573 . 2 1 1 A 47 47 LEU CA C 47 54.440 53.535 0.905 1
1 574 . 2 1 1 A 47 47 LEU CB C 47 42.540 43.551 -1.011 1
1 578 . 2 1 1 A 47 47 LEU N N 47 124.300 119.097 5.203 1
1 579 . 2 1 1 A 48 48 ILE H H 48 8.990 9.489 -0.499 1
1 580 . 2 1 1 A 48 48 ILE HA H 48 4.430 4.836 -0.406 1
1 590 . 2 1 1 A 48 48 ILE C C 48 175.040 174.618 0.422 1
1 591 . 2 1 1 A 48 48 ILE CA C 48 59.150 59.978 -0.828 1
1 592 . 2 1 1 A 48 48 ILE CB C 48 39.910 41.145 -1.235 1
1 596 . 2 1 1 A 48 48 ILE N N 48 125.760 125.180 0.580 1
1 597 . 2 1 1 A 49 49 LYS H H 49 8.710 8.969 -0.259 1
1 598 . 2 1 1 A 49 49 LYS HA H 49 4.550 5.004 -0.454 1
1 607 . 2 1 1 A 49 49 LYS C C 49 176.060 176.150 -0.090 1
1 608 . 2 1 1 A 49 49 LYS CA C 49 56.570 55.110 1.460 1
1 609 . 2 1 1 A 49 49 LYS CB C 49 33.010 35.275 -2.265 1
1 613 . 2 1 1 A 49 49 LYS N N 49 126.480 126.709 -0.229 1
1 614 . 2 1 1 A 50 50 THR H H 50 8.150 9.043 -0.893 1
1 615 . 2 1 1 A 50 50 THR HA H 50 4.860 5.071 -0.211 1
1 620 . 2 1 1 A 50 50 THR CA C 50 60.030 59.087 0.943 1
1 621 . 2 1 1 A 50 50 THR CB C 50 72.820 72.194 0.626 1
1 623 . 2 1 1 A 50 50 THR N N 50 116.220 113.311 2.909 1
1 624 . 2 1 1 A 51 51 ILE HA H 51 4.400 3.841 0.559 1
1 634 . 2 1 1 A 51 51 ILE C C 51 176.140 177.585 -1.445 1
1 635 . 2 1 1 A 51 51 ILE CA C 51 63.450 64.694 -1.244 1
1 636 . 2 1 1 A 51 51 ILE CB C 51 37.970 37.754 0.216 1
1 640 . 2 1 1 A 52 52 HIS H H 52 7.820 7.893 -0.073 1
1 641 . 2 1 1 A 52 52 HIS HA H 52 4.830 4.348 0.482 1
1 644 . 2 1 1 A 52 52 HIS C C 52 175.190 175.251 -0.061 1
1 645 . 2 1 1 A 52 52 HIS CA C 52 55.670 58.592 -2.922 1
1 646 . 2 1 1 A 52 52 HIS CB C 52 31.260 29.933 1.327 1
1 647 . 2 1 1 A 52 52 HIS N N 52 118.280 118.770 -0.490 1
1 648 . 2 1 1 A 53 53 GLY H H 53 7.590 7.179 0.411 1
1 649 . 2 1 1 A 53 53 GLY HA2 H 53 3.880 4.007 -0.127 1
1 650 . 2 1 1 A 53 53 GLY HA3 H 53 4.510 4.022 0.488 1
1 651 . 2 1 1 A 53 53 GLY C C 53 173.360 171.750 1.610 1
1 652 . 2 1 1 A 53 53 GLY CA C 53 44.510 45.727 -1.217 1
1 653 . 2 1 1 A 53 53 GLY N N 53 108.490 103.971 4.519 1
1 654 . 2 1 1 A 54 54 GLU H H 54 8.710 8.480 0.230 1
1 655 . 2 1 1 A 54 54 GLU HA H 54 5.050 4.563 0.487 1
1 660 . 2 1 1 A 54 54 GLU C C 54 175.890 176.004 -0.114 1
1 661 . 2 1 1 A 54 54 GLU CA C 54 55.980 56.263 -0.283 1
1 662 . 2 1 1 A 54 54 GLU CB C 54 31.610 30.627 0.983 1
1 664 . 2 1 1 A 54 54 GLU N N 54 121.850 120.342 1.508 1
1 665 . 2 1 1 A 55 55 LYS H H 55 8.930 9.392 -0.462 1
1 666 . 2 1 1 A 55 55 LYS HA H 55 4.670 5.065 -0.395 1
1 675 . 2 1 1 A 55 55 LYS C C 55 174.630 174.603 0.027 1
1 676 . 2 1 1 A 55 55 LYS CA C 55 54.750 54.831 -0.081 1
1 677 . 2 1 1 A 55 55 LYS CB C 55 35.910 36.145 -0.235 1
1 681 . 2 1 1 A 55 55 LYS N N 55 123.380 123.583 -0.203 1
1 682 . 2 1 1 A 56 56 GLN H H 56 8.670 8.830 -0.160 1
1 683 . 2 1 1 A 56 56 GLN HA H 56 4.820 4.879 -0.059 1
1 688 . 2 1 1 A 56 56 GLN C C 56 175.780 174.832 0.948 1
1 689 . 2 1 1 A 56 56 GLN CA C 56 55.500 54.814 0.686 1
1 690 . 2 1 1 A 56 56 GLN CB C 56 29.470 30.605 -1.135 1
1 692 . 2 1 1 A 56 56 GLN N N 56 122.950 123.534 -0.584 1
1 693 . 2 1 1 A 57 57 GLN H H 57 9.210 8.871 0.339 1
1 694 . 2 1 1 A 57 57 GLN HA H 57 4.740 5.011 -0.271 1
1 701 . 2 1 1 A 57 57 GLN C C 57 174.100 174.481 -0.381 1
1 702 . 2 1 1 A 57 57 GLN CA C 57 54.760 54.388 0.372 1
1 703 . 2 1 1 A 57 57 GLN CB C 57 32.670 31.312 1.358 1
1 705 . 2 1 1 A 57 57 GLN N N 57 125.030 125.344 -0.314 1
1 707 . 2 1 1 A 58 58 ASP H H 58 8.570 8.926 -0.356 1
1 708 . 2 1 1 A 58 58 ASP HA H 58 4.860 5.298 -0.438 1
1 711 . 2 1 1 A 58 58 ASP C C 58 173.690 174.894 -1.204 1
1 712 . 2 1 1 A 58 58 ASP CA C 58 55.090 52.872 2.218 1
1 713 . 2 1 1 A 58 58 ASP CB C 58 42.120 44.286 -2.166 1
1 714 . 2 1 1 A 58 58 ASP N N 58 124.680 121.814 2.866 1
1 715 . 2 1 1 A 59 59 VAL H H 59 8.480 9.037 -0.557 1
1 716 . 2 1 1 A 59 59 VAL HA H 59 4.610 4.768 -0.158 1
1 724 . 2 1 1 A 59 59 VAL C C 59 174.600 175.227 -0.627 1
1 725 . 2 1 1 A 59 59 VAL CA C 59 61.130 61.530 -0.400 1
1 726 . 2 1 1 A 59 59 VAL CB C 59 34.250 33.145 1.105 1
1 729 . 2 1 1 A 59 59 VAL N N 59 121.270 121.413 -0.143 1
1 730 . 2 1 1 A 60 60 TYR H H 60 9.390 8.873 0.517 1
1 731 . 2 1 1 A 60 60 TYR HA H 60 4.800 5.039 -0.239 1
1 738 . 2 1 1 A 60 60 TYR C C 60 173.840 174.194 -0.354 1
1 739 . 2 1 1 A 60 60 TYR CA C 60 56.840 56.695 0.145 1
1 740 . 2 1 1 A 60 60 TYR CB C 60 41.190 41.759 -0.569 1
1 745 . 2 1 1 A 60 60 TYR N N 60 125.760 125.082 0.678 1
1 746 . 2 1 1 A 61 61 TYR H H 61 9.300 9.113 0.187 1
1 747 . 2 1 1 A 61 61 TYR HA H 61 5.370 5.041 0.329 1
1 754 . 2 1 1 A 61 61 TYR C C 61 174.300 174.322 -0.022 1
1 755 . 2 1 1 A 61 61 TYR CA C 61 57.490 57.174 0.316 1
1 756 . 2 1 1 A 61 61 TYR CB C 61 40.900 39.612 1.288 1
1 761 . 2 1 1 A 61 61 TYR N N 61 122.890 125.687 -2.797 1
1 762 . 2 1 1 A 62 62 LEU H H 62 8.770 8.858 -0.088 1
1 763 . 2 1 1 A 62 62 LEU HA H 62 4.780 5.146 -0.366 1
1 773 . 2 1 1 A 62 62 LEU C C 62 174.070 175.932 -1.862 1
1 774 . 2 1 1 A 62 62 LEU CA C 62 53.760 53.361 0.399 1
1 775 . 2 1 1 A 62 62 LEU CB C 62 49.020 45.874 3.146 1
1 779 . 2 1 1 A 62 62 LEU N N 62 129.700 128.994 0.706 1
1 780 . 2 1 1 A 63 63 THR H H 63 7.960 8.710 -0.750 1
1 781 . 2 1 1 A 63 63 THR HA H 63 5.410 5.030 0.380 1
1 786 . 2 1 1 A 63 63 THR C C 63 173.860 174.006 -0.146 1
1 787 . 2 1 1 A 63 63 THR CA C 63 60.850 61.418 -0.568 1
1 788 . 2 1 1 A 63 63 THR CB C 63 69.790 70.716 -0.926 1
1 790 . 2 1 1 A 63 63 THR N N 63 118.460 115.838 2.622 1
1 791 . 2 1 1 A 64 64 PHE H H 64 9.270 8.490 0.780 1
1 792 . 2 1 1 A 64 64 PHE HA H 64 5.100 5.542 -0.442 1
1 800 . 2 1 1 A 64 64 PHE C C 64 172.280 172.896 -0.616 1
1 801 . 2 1 1 A 64 64 PHE CA C 64 56.020 55.086 0.934 1
1 802 . 2 1 1 A 64 64 PHE CB C 64 38.350 42.230 -3.880 1
1 808 . 2 1 1 A 64 64 PHE N N 64 123.960 123.045 0.915 1
1 809 . 2 1 1 A 65 65 LYS H H 65 8.750 8.890 -0.140 1
1 810 . 2 1 1 A 65 65 LYS HA H 65 5.500 4.909 0.591 1
1 819 . 2 1 1 A 65 65 LYS C C 65 176.300 175.553 0.747 1
1 820 . 2 1 1 A 65 65 LYS CA C 65 54.900 55.827 -0.927 1
1 821 . 2 1 1 A 65 65 LYS CB C 65 37.730 33.500 4.230 1
1 825 . 2 1 1 A 65 65 LYS N N 65 117.930 119.484 -1.554 1
1 826 . 2 1 1 A 66 66 VAL H H 66 8.840 9.401 -0.561 1
1 827 . 2 1 1 A 66 66 VAL HA H 66 4.520 4.609 -0.089 1
1 835 . 2 1 1 A 66 66 VAL C C 66 175.550 175.866 -0.316 1
1 836 . 2 1 1 A 66 66 VAL CA C 66 62.130 61.250 0.880 1
1 837 . 2 1 1 A 66 66 VAL CB C 66 35.100 32.129 2.971 1
1 840 . 2 1 1 A 66 66 VAL N N 66 119.330 125.243 -5.913 1
1 841 . 2 1 1 A 67 67 GLN H H 67 9.690 9.241 0.449 1
1 842 . 2 1 1 A 67 67 GLN HA H 67 4.050 4.071 -0.021 1
1 849 . 2 1 1 A 67 67 GLN C C 67 176.300 176.241 0.059 1
1 850 . 2 1 1 A 67 67 GLN CA C 67 56.720 57.200 -0.480 1
1 851 . 2 1 1 A 67 67 GLN CB C 67 28.230 26.839 1.391 1
1 853 . 2 1 1 A 67 67 GLN N N 67 125.930 128.804 -2.874 1
1 855 . 2 1 1 A 68 68 GLY H H 68 8.980 8.699 0.281 1
1 856 . 2 1 1 A 68 68 GLY HA2 H 68 3.510 3.817 -0.307 1
1 857 . 2 1 1 A 68 68 GLY HA3 H 68 4.140 3.832 0.308 1
1 858 . 2 1 1 A 68 68 GLY C C 68 173.410 173.799 -0.389 1
1 859 . 2 1 1 A 68 68 GLY CA C 68 45.460 45.669 -0.209 1
1 860 . 2 1 1 A 68 68 GLY N N 68 103.510 104.310 -0.800 1
1 861 . 2 1 1 A 69 69 ARG H H 69 8.070 7.795 0.275 1
1 862 . 2 1 1 A 69 69 ARG HA H 69 4.400 4.537 -0.137 1
1 869 . 2 1 1 A 69 69 ARG C C 69 174.880 174.835 0.045 1
1 870 . 2 1 1 A 69 69 ARG CA C 69 54.730 54.291 0.439 1
1 871 . 2 1 1 A 69 69 ARG CB C 69 31.520 32.407 -0.887 1
1 874 . 2 1 1 A 69 69 ARG N N 69 122.680 119.924 2.756 1
1 875 . 2 1 1 A 70 70 LYS H H 70 8.390 8.623 -0.233 1
1 876 . 2 1 1 A 70 70 LYS HA H 70 4.220 4.289 -0.069 1
1 885 . 2 1 1 A 70 70 LYS C C 70 175.330 174.891 0.439 1
1 886 . 2 1 1 A 70 70 LYS CA C 70 57.860 56.971 0.889 1
1 887 . 2 1 1 A 70 70 LYS CB C 70 32.790 32.631 0.159 1
1 891 . 2 1 1 A 70 70 LYS N N 70 123.590 127.215 -3.625 1
1 892 . 2 1 1 A 71 71 VAL H H 71 9.050 8.541 0.509 1
1 893 . 2 1 1 A 71 71 VAL HA H 71 4.140 4.631 -0.491 1
1 901 . 2 1 1 A 71 71 VAL C C 71 173.310 174.051 -0.741 1
1 902 . 2 1 1 A 71 71 VAL CA C 71 61.370 60.496 0.874 1
1 903 . 2 1 1 A 71 71 VAL CB C 71 34.610 35.398 -0.788 1
1 906 . 2 1 1 A 71 71 VAL N N 71 128.340 126.997 1.343 1
1 907 . 2 1 1 A 72 72 GLU H H 72 8.150 8.723 -0.573 1
1 908 . 2 1 1 A 72 72 GLU HA H 72 4.970 5.000 -0.030 1
1 913 . 2 1 1 A 72 72 GLU C C 72 174.910 175.427 -0.517 1
1 914 . 2 1 1 A 72 72 GLU CA C 72 54.490 54.814 -0.324 1
1 915 . 2 1 1 A 72 72 GLU CB C 72 31.410 32.705 -1.295 1
1 917 . 2 1 1 A 72 72 GLU N N 72 124.430 125.253 -0.823 1
1 918 . 2 1 1 A 73 73 ALA H H 73 8.420 8.081 0.339 1
1 919 . 2 1 1 A 73 73 ALA HA H 73 4.770 4.645 0.125 1
1 923 . 2 1 1 A 73 73 ALA C C 73 175.140 175.924 -0.784 1
1 924 . 2 1 1 A 73 73 ALA CA C 73 51.050 50.870 0.180 1
1 925 . 2 1 1 A 73 73 ALA CB C 73 23.060 23.246 -0.186 1
1 926 . 2 1 1 A 73 73 ALA N N 73 124.790 122.778 2.012 1
1 927 . 2 1 1 A 74 74 GLU H H 74 8.520 8.478 0.042 1
1 928 . 2 1 1 A 74 74 GLU HA H 74 5.260 5.302 -0.042 1
1 933 . 2 1 1 A 74 74 GLU C C 74 176.570 176.454 0.116 1
1 934 . 2 1 1 A 74 74 GLU CA C 74 55.770 56.664 -0.894 1
1 935 . 2 1 1 A 74 74 GLU CB C 74 29.840 30.319 -0.479 1
1 937 . 2 1 1 A 74 74 GLU N N 74 120.480 119.302 1.178 1
1 938 . 2 1 1 A 75 75 VAL H H 75 9.240 10.053 -0.813 1
1 939 . 2 1 1 A 75 75 VAL HA H 75 5.730 5.510 0.220 1
1 947 . 2 1 1 A 75 75 VAL C C 75 174.700 174.582 0.118 1
1 948 . 2 1 1 A 75 75 VAL CA C 75 57.950 59.072 -1.122 1
1 949 . 2 1 1 A 75 75 VAL CB C 75 36.540 35.591 0.949 1
1 952 . 2 1 1 A 75 75 VAL N N 75 113.070 118.699 -5.629 1
1 953 . 2 1 1 A 76 76 LEU H H 76 8.420 8.657 -0.237 1
1 954 . 2 1 1 A 76 76 LEU HA H 76 5.110 5.178 -0.068 1
1 964 . 2 1 1 A 76 76 LEU C C 76 176.970 175.576 1.394 1
1 965 . 2 1 1 A 76 76 LEU CA C 76 52.370 53.422 -1.052 1
1 966 . 2 1 1 A 76 76 LEU CB C 76 45.230 45.020 0.210 1
1 970 . 2 1 1 A 76 76 LEU N N 76 117.790 122.575 -4.785 1
1 971 . 2 1 1 A 77 77 ALA H H 77 8.930 8.518 0.412 1
1 972 . 2 1 1 A 77 77 ALA HA H 77 4.500 4.700 -0.200 1
1 976 . 2 1 1 A 77 77 ALA C C 77 177.950 176.819 1.131 1
1 977 . 2 1 1 A 77 77 ALA CA C 77 52.090 52.093 -0.003 1
1 978 . 2 1 1 A 77 77 ALA CB C 77 20.280 19.440 0.840 1
1 979 . 2 1 1 A 77 77 ALA N N 77 122.210 126.753 -4.543 1
1 980 . 2 1 1 A 78 78 SER H H 78 8.380 8.596 -0.216 1
1 981 . 2 1 1 A 78 78 SER HA H 78 5.010 4.943 0.067 1
1 984 . 2 1 1 A 78 78 SER CA C 78 54.230 55.332 -1.102 1
1 985 . 2 1 1 A 78 78 SER CB C 78 66.050 66.177 -0.127 1
1 986 . 2 1 1 A 78 78 SER N N 78 117.830 116.531 1.299 1
1 987 . 2 1 1 A 79 79 PRO HA H 79 4.660 4.458 0.202 1
1 994 . 2 1 1 A 79 79 PRO C C 79 176.150 175.945 0.205 1
1 995 . 2 1 1 A 79 79 PRO CA C 79 62.860 63.431 -0.571 1
1 996 . 2 1 1 A 79 79 PRO CB C 79 31.230 31.537 -0.307 1
1 999 . 2 1 1 A 80 80 TYR H H 80 7.380 7.274 0.106 1
1 1000 . 2 1 1 A 80 80 TYR HA H 80 4.710 4.721 -0.011 1
1 1007 . 2 1 1 A 80 80 TYR C C 80 175.550 175.956 -0.406 1
1 1008 . 2 1 1 A 80 80 TYR CA C 80 56.150 57.813 -1.663 1
1 1009 . 2 1 1 A 80 80 TYR CB C 80 38.490 39.312 -0.822 1
1 1014 . 2 1 1 A 80 80 TYR N N 80 120.860 120.326 0.534 1
1 1015 . 2 1 1 A 81 81 ASP H H 81 8.290 9.080 -0.790 1
1 1016 . 2 1 1 A 81 81 ASP HA H 81 4.640 4.976 -0.336 1
1 1019 . 2 1 1 A 81 81 ASP C C 81 175.290 175.152 0.138 1
1 1020 . 2 1 1 A 81 81 ASP CA C 81 53.560 53.228 0.332 1
1 1021 . 2 1 1 A 81 81 ASP CB C 81 40.650 41.204 -0.554 1
1 1022 . 2 1 1 A 81 81 ASP N N 81 115.600 119.040 -3.440 1
1 1023 . 2 1 1 A 82 82 TYR H H 82 6.680 7.618 -0.938 1
1 1024 . 2 1 1 A 82 82 TYR HA H 82 5.160 5.061 0.099 1
1 1031 . 2 1 1 A 82 82 TYR C C 82 173.930 172.873 1.057 1
1 1032 . 2 1 1 A 82 82 TYR CA C 82 53.190 55.932 -2.742 1
1 1033 . 2 1 1 A 82 82 TYR CB C 82 40.820 41.440 -0.620 1
1 1038 . 2 1 1 A 82 82 TYR N N 82 116.100 116.450 -0.350 1
1 1039 . 2 1 1 A 83 83 ILE H H 83 8.900 8.581 0.319 1
1 1040 . 2 1 1 A 83 83 ILE HA H 83 4.480 4.584 -0.104 1
1 1050 . 2 1 1 A 83 83 ILE C C 83 175.160 174.757 0.403 1
1 1051 . 2 1 1 A 83 83 ILE CA C 83 60.940 59.323 1.617 1
1 1052 . 2 1 1 A 83 83 ILE CB C 83 40.980 41.639 -0.659 1
1 1056 . 2 1 1 A 83 83 ILE N N 83 119.050 119.185 -0.135 1
1 1057 . 2 1 1 A 84 84 LEU H H 84 8.740 9.744 -1.004 1
1 1058 . 2 1 1 A 84 84 LEU HA H 84 5.140 5.312 -0.172 1
1 1068 . 2 1 1 A 84 84 LEU C C 84 174.920 175.088 -0.168 1
1 1069 . 2 1 1 A 84 84 LEU CA C 84 53.800 53.422 0.378 1
1 1070 . 2 1 1 A 84 84 LEU CB C 84 44.100 43.089 1.011 1
1 1074 . 2 1 1 A 84 84 LEU N N 84 130.660 126.577 4.083 1
1 1075 . 2 1 1 A 85 85 LEU H H 85 9.010 9.249 -0.239 1
1 1076 . 2 1 1 A 85 85 LEU HA H 85 4.470 4.966 -0.496 1
1 1086 . 2 1 1 A 85 85 LEU C C 85 174.660 176.573 -1.913 1
1 1087 . 2 1 1 A 85 85 LEU CA C 85 54.080 53.451 0.629 1
1 1088 . 2 1 1 A 85 85 LEU CB C 85 44.350 44.422 -0.072 1
1 1092 . 2 1 1 A 85 85 LEU N N 85 125.210 125.305 -0.095 1
1 1093 . 2 1 1 A 86 86 ASN H H 86 8.370 9.024 -0.654 1
1 1094 . 2 1 1 A 86 86 ASN HA H 86 4.680 4.886 -0.206 1
1 1099 . 2 1 1 A 86 86 ASN CA C 86 49.780 50.745 -0.965 1
1 1100 . 2 1 1 A 86 86 ASN CB C 86 38.890 39.375 -0.485 1
1 1101 . 2 1 1 A 86 86 ASN N N 86 122.970 121.113 1.857 1
1 1103 . 2 1 1 A 87 87 PRO HA H 87 3.600 4.637 -1.037 1
1 1110 . 2 1 1 A 87 87 PRO C C 87 178.740 178.515 0.225 1
1 1111 . 2 1 1 A 87 87 PRO CA C 87 65.050 64.583 0.467 1
1 1112 . 2 1 1 A 87 87 PRO CB C 87 33.160 32.151 1.009 1
1 1115 . 2 1 1 A 88 88 SER H H 88 7.580 8.386 -0.806 1
1 1116 . 2 1 1 A 88 88 SER HA H 88 4.100 4.156 -0.056 1
1 1119 . 2 1 1 A 88 88 SER C C 88 175.480 175.728 -0.248 1
1 1120 . 2 1 1 A 88 88 SER CA C 88 60.730 61.525 -0.795 1
1 1121 . 2 1 1 A 88 88 SER CB C 88 62.870 62.825 0.045 1
1 1122 . 2 1 1 A 88 88 SER N N 88 109.530 114.054 -4.524 1
1 1123 . 2 1 1 A 89 89 ASP H H 89 8.170 8.709 -0.539 1
1 1124 . 2 1 1 A 89 89 ASP HA H 89 4.770 4.416 0.354 1
1 1127 . 2 1 1 A 89 89 ASP C C 89 175.730 176.519 -0.789 1
1 1128 . 2 1 1 A 89 89 ASP CA C 89 56.030 56.507 -0.477 1
1 1129 . 2 1 1 A 89 89 ASP CB C 89 41.380 40.095 1.285 1
1 1130 . 2 1 1 A 89 89 ASP N N 89 118.600 119.665 -1.065 1
1 1131 . 2 1 1 A 90 90 VAL H H 90 7.050 7.314 -0.264 1
1 1132 . 2 1 1 A 90 90 VAL HA H 90 4.050 2.937 1.113 1
1 1140 . 2 1 1 A 90 90 VAL CA C 90 56.960 58.560 -1.600 1
1 1141 . 2 1 1 A 90 90 VAL CB C 90 31.710 31.425 0.285 1
1 1144 . 2 1 1 A 90 90 VAL N N 90 109.580 115.611 -6.031 1
1 1145 . 2 1 1 A 91 91 PRO HA H 91 4.250 4.244 0.006 1
1 1152 . 2 1 1 A 91 91 PRO C C 91 176.870 178.419 -1.549 1
1 1153 . 2 1 1 A 91 91 PRO CA C 91 65.190 64.793 0.397 1
1 1154 . 2 1 1 A 91 91 PRO CB C 91 31.470 31.905 -0.435 1
1 1157 . 2 1 1 A 92 92 TRP H H 92 6.720 7.240 -0.520 1
1 1158 . 2 1 1 A 92 92 TRP HA H 92 4.570 4.439 0.131 1
1 1167 . 2 1 1 A 92 92 TRP C C 92 176.630 176.338 0.292 1
1 1168 . 2 1 1 A 92 92 TRP CA C 92 56.910 59.085 -2.175 1
1 1169 . 2 1 1 A 92 92 TRP CB C 92 27.990 30.293 -2.303 1
1 1175 . 2 1 1 A 92 92 TRP N N 92 115.110 115.836 -0.726 1
1 1177 . 2 1 1 A 93 93 LEU H H 93 7.150 7.229 -0.079 1
1 1178 . 2 1 1 A 93 93 LEU HA H 93 4.220 3.572 0.648 1
1 1188 . 2 1 1 A 93 93 LEU C C 93 176.210 176.035 0.175 1
1 1189 . 2 1 1 A 93 93 LEU CA C 93 55.350 56.145 -0.795 1
1 1190 . 2 1 1 A 93 93 LEU CB C 93 42.190 40.494 1.696 1
1 1194 . 2 1 1 A 93 93 LEU N N 93 123.090 118.076 5.014 1
1 1195 . 2 1 1 A 94 94 MET H H 94 7.730 8.589 -0.859 1
1 1196 . 2 1 1 A 94 94 MET HA H 94 4.340 5.074 -0.734 1
1 1201 . 2 1 1 A 94 94 MET C C 94 175.550 175.165 0.385 1
1 1202 . 2 1 1 A 94 94 MET CA C 94 55.120 57.676 -2.556 1
1 1203 . 2 1 1 A 94 94 MET CB C 94 32.630 31.398 1.232 1
1 1205 . 2 1 1 A 94 94 MET N N 94 118.250 110.072 8.178 1
1 1206 . 2 1 1 A 95 95 LYS H H 95 7.950 8.479 -0.529 1
1 1207 . 2 1 1 A 95 95 LYS HA H 95 4.260 4.477 -0.217 1
1 1210 . 2 1 1 A 95 95 LYS C C 95 176.130 176.316 -0.186 1
1 1211 . 2 1 1 A 95 95 LYS CA C 95 56.150 56.967 -0.817 1
1 1212 . 2 1 1 A 95 95 LYS CB C 95 33.010 33.150 -0.140 1
1 1213 . 2 1 1 A 95 95 LYS N N 95 121.650 121.737 -0.087 1
1 1214 . 2 1 1 A 96 96 LYS H H 96 8.260 8.689 -0.429 1
1 1215 . 2 1 1 A 96 96 LYS N N 96 123.570 125.603 -2.033 1
1 1216 . 2 1 1 A 97 97 PRO HA H 97 4.530 4.483 0.047 1
1 1219 . 2 1 1 A 97 97 PRO C C 97 176.830 177.084 -0.254 1
1 1220 . 2 1 1 A 97 97 PRO CA C 97 63.180 62.513 0.667 1
1 1221 . 2 1 1 A 97 97 PRO CB C 97 32.050 32.000 0.050 1
1 88 . 3 1 1 A 9 9 PRO HA H 9 4.410 4.502 -0.092 1
1 95 . 3 1 1 A 9 9 PRO C C 9 176.460 176.147 0.313 1
1 96 . 3 1 1 A 9 9 PRO CA C 9 63.030 62.312 0.718 1
1 97 . 3 1 1 A 9 9 PRO CB C 9 32.210 32.163 0.047 1
1 100 . 3 1 1 A 10 10 LEU H H 10 9.190 8.887 0.303 1
1 101 . 3 1 1 A 10 10 LEU HA H 10 4.640 4.850 -0.210 1
1 111 . 3 1 1 A 10 10 LEU C C 10 176.620 176.130 0.490 1
1 112 . 3 1 1 A 10 10 LEU CA C 10 53.420 53.310 0.110 1
1 113 . 3 1 1 A 10 10 LEU CB C 10 44.290 43.253 1.037 1
1 117 . 3 1 1 A 10 10 LEU N N 10 123.060 121.461 1.599 1
1 118 . 3 1 1 A 11 11 GLU H H 11 8.720 8.449 0.271 1
1 119 . 3 1 1 A 11 11 GLU HA H 11 4.490 5.113 -0.623 1
1 124 . 3 1 1 A 11 11 GLU C C 11 176.620 175.794 0.826 1
1 125 . 3 1 1 A 11 11 GLU CA C 11 57.060 55.136 1.924 1
1 126 . 3 1 1 A 11 11 GLU CB C 11 30.820 32.306 -1.486 1
1 128 . 3 1 1 A 11 11 GLU N N 11 121.330 118.836 2.494 1
1 129 . 3 1 1 A 12 12 ALA H H 12 8.760 8.768 -0.008 1
1 130 . 3 1 1 A 12 12 ALA HA H 12 5.390 5.374 0.016 1
1 134 . 3 1 1 A 12 12 ALA C C 12 176.040 175.571 0.469 1
1 135 . 3 1 1 A 12 12 ALA CA C 12 50.350 51.068 -0.718 1
1 136 . 3 1 1 A 12 12 ALA CB C 12 24.490 23.752 0.738 1
1 137 . 3 1 1 A 12 12 ALA N N 12 127.010 123.959 3.051 1
1 138 . 3 1 1 A 13 13 GLU H H 13 8.850 9.140 -0.290 1
1 139 . 3 1 1 A 13 13 GLU HA H 13 5.240 5.437 -0.197 1
1 144 . 3 1 1 A 13 13 GLU C C 13 175.320 175.573 -0.253 1
1 145 . 3 1 1 A 13 13 GLU CA C 13 55.580 55.090 0.490 1
1 146 . 3 1 1 A 13 13 GLU CB C 13 34.410 32.005 2.405 1
1 148 . 3 1 1 A 13 13 GLU N N 13 119.980 120.032 -0.052 1
1 149 . 3 1 1 A 14 14 ILE H H 14 8.420 8.635 -0.215 1
1 150 . 3 1 1 A 14 14 ILE HA H 14 4.210 4.561 -0.351 1
1 160 . 3 1 1 A 14 14 ILE C C 14 174.520 175.837 -1.317 1
1 161 . 3 1 1 A 14 14 ILE CA C 14 61.000 59.813 1.187 1
1 162 . 3 1 1 A 14 14 ILE CB C 14 40.430 38.818 1.612 1
1 166 . 3 1 1 A 14 14 ILE N N 14 123.990 125.016 -1.026 1
1 167 . 3 1 1 A 15 15 LYS H H 15 9.590 9.623 -0.033 1
1 168 . 3 1 1 A 15 15 LYS HA H 15 3.880 4.049 -0.169 1
1 177 . 3 1 1 A 15 15 LYS C C 15 176.880 176.664 0.216 1
1 178 . 3 1 1 A 15 15 LYS CA C 15 57.890 57.498 0.392 1
1 179 . 3 1 1 A 15 15 LYS CB C 15 30.550 30.323 0.227 1
1 183 . 3 1 1 A 15 15 LYS N N 15 124.930 128.481 -3.551 1
1 184 . 3 1 1 A 16 16 GLY H H 16 8.730 8.507 0.223 1
1 185 . 3 1 1 A 16 16 GLY HA2 H 16 3.670 3.863 -0.193 1
1 186 . 3 1 1 A 16 16 GLY HA3 H 16 4.230 3.872 0.358 1
1 187 . 3 1 1 A 16 16 GLY C C 16 174.360 174.052 0.308 1
1 188 . 3 1 1 A 16 16 GLY CA C 16 45.540 45.297 0.243 1
1 189 . 3 1 1 A 16 16 GLY N N 16 104.580 105.781 -1.201 1
1 190 . 3 1 1 A 17 17 THR H H 17 8.400 8.640 -0.240 1
1 191 . 3 1 1 A 17 17 THR HA H 17 4.490 4.288 0.202 1
1 196 . 3 1 1 A 17 17 THR C C 17 172.970 173.686 -0.716 1
1 197 . 3 1 1 A 17 17 THR CA C 17 62.580 63.439 -0.859 1
1 198 . 3 1 1 A 17 17 THR CB C 17 70.320 69.207 1.113 1
1 200 . 3 1 1 A 17 17 THR N N 17 120.070 117.511 2.559 1
1 201 . 3 1 1 A 18 18 LYS H H 18 8.750 8.721 0.029 1
1 202 . 3 1 1 A 18 18 LYS HA H 18 4.920 4.693 0.227 1
1 211 . 3 1 1 A 18 18 LYS C C 18 175.860 175.337 0.523 1
1 212 . 3 1 1 A 18 18 LYS CA C 18 56.350 56.317 0.033 1
1 213 . 3 1 1 A 18 18 LYS CB C 18 32.940 33.120 -0.180 1
1 217 . 3 1 1 A 18 18 LYS N N 18 127.270 128.099 -0.829 1
1 218 . 3 1 1 A 19 19 LEU H H 19 8.750 8.764 -0.014 1
1 219 . 3 1 1 A 19 19 LEU HA H 19 4.850 4.934 -0.084 1
1 229 . 3 1 1 A 19 19 LEU C C 19 174.210 176.042 -1.832 1
1 230 . 3 1 1 A 19 19 LEU CA C 19 55.160 53.520 1.640 1
1 231 . 3 1 1 A 19 19 LEU CB C 19 43.340 46.422 -3.082 1
1 235 . 3 1 1 A 19 19 LEU N N 19 123.470 127.630 -4.160 1
1 236 . 3 1 1 A 20 20 LYS H H 20 8.660 8.335 0.325 1
1 237 . 3 1 1 A 20 20 LYS HA H 20 5.180 4.559 0.621 1
1 246 . 3 1 1 A 20 20 LYS C C 20 175.650 175.744 -0.094 1
1 247 . 3 1 1 A 20 20 LYS CA C 20 54.630 56.119 -1.489 1
1 248 . 3 1 1 A 20 20 LYS CB C 20 34.710 33.570 1.140 1
1 252 . 3 1 1 A 20 20 LYS N N 20 118.320 121.159 -2.839 1
1 253 . 3 1 1 A 21 21 ALA H H 21 8.860 9.414 -0.554 1
1 254 . 3 1 1 A 21 21 ALA HA H 21 5.470 5.386 0.084 1
1 258 . 3 1 1 A 21 21 ALA C C 21 174.740 175.677 -0.937 1
1 259 . 3 1 1 A 21 21 ALA CA C 21 49.510 50.354 -0.844 1
1 260 . 3 1 1 A 21 21 ALA CB C 21 22.990 24.098 -1.108 1
1 261 . 3 1 1 A 21 21 ALA N N 21 120.460 123.358 -2.898 1
1 262 . 3 1 1 A 22 22 HIS H H 22 9.140 8.937 0.203 1
1 263 . 3 1 1 A 22 22 HIS HA H 22 5.070 5.310 -0.240 1
1 268 . 3 1 1 A 22 22 HIS C C 22 174.310 173.995 0.315 1
1 269 . 3 1 1 A 22 22 HIS CA C 22 54.040 53.501 0.539 1
1 270 . 3 1 1 A 22 22 HIS CB C 22 32.390 33.123 -0.733 1
1 272 . 3 1 1 A 22 22 HIS N N 22 119.890 115.025 4.865 1
1 273 . 3 1 1 A 23 23 TRP H H 23 9.160 9.214 -0.054 1
1 274 . 3 1 1 A 23 23 TRP HA H 23 4.360 5.054 -0.694 1
1 283 . 3 1 1 A 23 23 TRP C C 23 175.070 174.919 0.151 1
1 284 . 3 1 1 A 23 23 TRP CA C 23 59.160 55.987 3.173 1
1 285 . 3 1 1 A 23 23 TRP CB C 23 30.710 31.511 -0.801 1
1 291 . 3 1 1 A 23 23 TRP N N 23 126.610 126.249 0.361 1
1 293 . 3 1 1 A 24 24 ASP H H 24 7.720 7.846 -0.126 1
1 294 . 3 1 1 A 24 24 ASP HA H 24 4.880 4.811 0.069 1
1 297 . 3 1 1 A 24 24 ASP C C 24 175.340 175.494 -0.154 1
1 298 . 3 1 1 A 24 24 ASP CA C 24 53.030 52.709 0.321 1
1 299 . 3 1 1 A 24 24 ASP CB C 24 43.510 42.148 1.362 1
1 300 . 3 1 1 A 24 24 ASP N N 24 126.750 127.977 -1.227 1
1 301 . 3 1 1 A 25 25 SER H H 25 8.490 8.470 0.020 1
1 302 . 3 1 1 A 25 25 SER HA H 25 3.580 3.474 0.106 1
1 305 . 3 1 1 A 25 25 SER C C 25 175.340 176.455 -1.115 1
1 306 . 3 1 1 A 25 25 SER CA C 25 60.640 60.915 -0.275 1
1 307 . 3 1 1 A 25 25 SER CB C 25 62.990 62.597 0.393 1
1 308 . 3 1 1 A 25 25 SER N N 25 119.220 119.409 -0.189 1
1 309 . 3 1 1 A 26 26 GLY H H 26 8.670 8.082 0.588 1
1 310 . 3 1 1 A 26 26 GLY HA2 H 26 3.630 3.849 -0.219 1
1 311 . 3 1 1 A 26 26 GLY HA3 H 26 4.200 3.853 0.347 1
1 312 . 3 1 1 A 26 26 GLY C C 26 174.190 174.588 -0.398 1
1 313 . 3 1 1 A 26 26 GLY CA C 26 44.760 46.378 -1.618 1
1 314 . 3 1 1 A 26 26 GLY N N 26 109.290 109.596 -0.306 1
1 315 . 3 1 1 A 27 27 ALA H H 27 7.550 7.438 0.112 1
1 316 . 3 1 1 A 27 27 ALA HA H 27 4.370 4.206 0.164 1
1 320 . 3 1 1 A 27 27 ALA C C 27 178.430 177.215 1.215 1
1 321 . 3 1 1 A 27 27 ALA CA C 27 52.240 52.412 -0.172 1
1 322 . 3 1 1 A 27 27 ALA CB C 27 18.240 19.104 -0.864 1
1 323 . 3 1 1 A 27 27 ALA N N 27 124.840 123.477 1.363 1
1 324 . 3 1 1 A 28 28 THR H H 28 8.260 8.945 -0.685 1
1 325 . 3 1 1 A 28 28 THR HA H 28 4.230 4.513 -0.283 1
1 330 . 3 1 1 A 28 28 THR C C 28 173.830 174.362 -0.532 1
1 331 . 3 1 1 A 28 28 THR CA C 28 62.180 61.889 0.291 1
1 332 . 3 1 1 A 28 28 THR CB C 28 69.240 69.789 -0.549 1
1 333 . 3 1 1 A 28 28 THR N N 28 112.480 116.660 -4.180 1
1 334 . 3 1 1 A 29 29 ILE H H 29 7.460 7.416 0.044 1
1 335 . 3 1 1 A 29 29 ILE HA H 29 4.540 4.628 -0.088 1
1 345 . 3 1 1 A 29 29 ILE C C 29 173.440 174.205 -0.765 1
1 346 . 3 1 1 A 29 29 ILE CA C 29 60.540 59.659 0.881 1
1 347 . 3 1 1 A 29 29 ILE CB C 29 40.780 41.337 -0.557 1
1 351 . 3 1 1 A 29 29 ILE N N 29 118.820 121.391 -2.571 1
1 352 . 3 1 1 A 30 30 THR H H 30 9.380 8.596 0.784 1
1 353 . 3 1 1 A 30 30 THR HA H 30 4.870 4.332 0.538 1
1 358 . 3 1 1 A 30 30 THR C C 30 173.600 173.887 -0.287 1
1 359 . 3 1 1 A 30 30 THR CA C 30 64.280 63.031 1.249 1
1 360 . 3 1 1 A 30 30 THR CB C 30 69.840 69.503 0.337 1
1 361 . 3 1 1 A 30 30 THR N N 30 129.290 121.160 8.130 1
1 362 . 3 1 1 A 31 31 CYS H H 31 9.180 8.743 0.437 1
1 363 . 3 1 1 A 31 31 CYS HA H 31 5.530 5.181 0.349 1
1 366 . 3 1 1 A 31 31 CYS C C 31 174.420 173.058 1.362 1
1 367 . 3 1 1 A 31 31 CYS CA C 31 56.540 56.810 -0.270 1
1 368 . 3 1 1 A 31 31 CYS CB C 31 30.780 30.267 0.513 1
1 369 . 3 1 1 A 31 31 CYS N N 31 122.220 125.115 -2.895 1
1 370 . 3 1 1 A 32 32 VAL H H 32 9.090 8.960 0.130 1
1 371 . 3 1 1 A 32 32 VAL HA H 32 4.710 4.355 0.355 1
1 379 . 3 1 1 A 32 32 VAL CA C 32 57.300 58.666 -1.366 1
1 380 . 3 1 1 A 32 32 VAL CB C 32 32.860 35.335 -2.475 1
1 383 . 3 1 1 A 32 32 VAL N N 32 117.890 126.259 -8.369 1
1 384 . 3 1 1 A 33 33 PRO HA H 33 4.530 5.255 -0.725 1
1 391 . 3 1 1 A 33 33 PRO C C 33 178.110 177.794 0.316 1
1 392 . 3 1 1 A 33 33 PRO CA C 33 64.140 62.544 1.596 1
1 393 . 3 1 1 A 33 33 PRO CB C 33 32.200 32.123 0.077 1
1 396 . 3 1 1 A 34 34 GLU H H 34 8.380 8.662 -0.282 1
1 397 . 3 1 1 A 34 34 GLU HA H 34 3.730 3.903 -0.173 1
1 402 . 3 1 1 A 34 34 GLU C C 34 177.830 178.286 -0.456 1
1 403 . 3 1 1 A 34 34 GLU CA C 34 59.480 59.567 -0.087 1
1 404 . 3 1 1 A 34 34 GLU CB C 34 29.860 29.401 0.459 1
1 406 . 3 1 1 A 34 34 GLU N N 34 122.200 124.546 -2.346 1
1 407 . 3 1 1 A 35 35 ALA H H 35 9.050 8.130 0.920 1
1 408 . 3 1 1 A 35 35 ALA HA H 35 4.030 4.006 0.024 1
1 412 . 3 1 1 A 35 35 ALA C C 35 180.250 178.998 1.252 1
1 413 . 3 1 1 A 35 35 ALA CA C 35 54.850 54.816 0.034 1
1 414 . 3 1 1 A 35 35 ALA CB C 35 18.160 18.589 -0.429 1
1 415 . 3 1 1 A 35 35 ALA N N 35 123.090 122.006 1.084 1
1 416 . 3 1 1 A 36 36 PHE H H 36 7.510 8.133 -0.623 1
1 417 . 3 1 1 A 36 36 PHE HA H 36 4.370 4.372 -0.002 1
1 425 . 3 1 1 A 36 36 PHE C C 36 174.870 177.004 -2.134 1
1 426 . 3 1 1 A 36 36 PHE CA C 36 60.160 59.588 0.572 1
1 427 . 3 1 1 A 36 36 PHE CB C 36 38.930 39.333 -0.403 1
1 433 . 3 1 1 A 36 36 PHE N N 36 112.030 115.051 -3.021 1
1 434 . 3 1 1 A 37 37 LEU H H 37 7.640 8.182 -0.542 1
1 435 . 3 1 1 A 37 37 LEU HA H 37 4.230 4.444 -0.214 1
1 445 . 3 1 1 A 37 37 LEU C C 37 177.380 177.326 0.054 1
1 446 . 3 1 1 A 37 37 LEU CA C 37 53.080 54.587 -1.507 1
1 447 . 3 1 1 A 37 37 LEU CB C 37 41.050 41.962 -0.912 1
1 451 . 3 1 1 A 37 37 LEU N N 37 116.800 118.182 -1.382 1
1 452 . 3 1 1 A 38 38 GLU H H 38 7.050 7.680 -0.630 1
1 453 . 3 1 1 A 38 38 GLU HA H 38 3.980 4.055 -0.075 1
1 458 . 3 1 1 A 38 38 GLU C C 38 176.630 176.770 -0.140 1
1 459 . 3 1 1 A 38 38 GLU CA C 38 59.250 59.523 -0.273 1
1 460 . 3 1 1 A 38 38 GLU CB C 38 29.870 29.585 0.285 1
1 462 . 3 1 1 A 38 38 GLU N N 38 121.260 120.128 1.132 1
1 463 . 3 1 1 A 39 39 ASP H H 39 8.690 7.856 0.834 1
1 464 . 3 1 1 A 39 39 ASP HA H 39 4.700 4.863 -0.163 1
1 467 . 3 1 1 A 39 39 ASP C C 39 175.570 175.197 0.373 1
1 468 . 3 1 1 A 39 39 ASP CA C 39 53.760 53.790 -0.030 1
1 469 . 3 1 1 A 39 39 ASP CB C 39 40.010 41.853 -1.843 1
1 470 . 3 1 1 A 39 39 ASP N N 39 115.590 117.446 -1.856 1
1 471 . 3 1 1 A 40 40 GLU H H 40 7.460 8.394 -0.934 1
1 472 . 3 1 1 A 40 40 GLU HA H 40 4.720 4.994 -0.274 1
1 477 . 3 1 1 A 40 40 GLU C C 40 175.660 175.535 0.125 1
1 478 . 3 1 1 A 40 40 GLU CA C 40 54.240 54.824 -0.584 1
1 479 . 3 1 1 A 40 40 GLU CB C 40 31.240 31.884 -0.644 1
1 481 . 3 1 1 A 40 40 GLU N N 40 118.210 117.718 0.492 1
1 482 . 3 1 1 A 41 41 ARG H H 41 9.130 8.725 0.405 1
1 483 . 3 1 1 A 41 41 ARG HA H 41 5.080 4.919 0.161 1
1 490 . 3 1 1 A 41 41 ARG CA C 41 52.540 52.354 0.186 1
1 491 . 3 1 1 A 41 41 ARG CB C 41 31.240 31.818 -0.578 1
1 494 . 3 1 1 A 41 41 ARG N N 41 121.830 121.890 -0.060 1
1 495 . 3 1 1 A 42 42 PRO HA H 42 3.840 3.848 -0.008 1
1 502 . 3 1 1 A 42 42 PRO C C 42 177.180 177.224 -0.044 1
1 503 . 3 1 1 A 42 42 PRO CA C 42 63.010 61.940 1.070 1
1 504 . 3 1 1 A 42 42 PRO CB C 42 32.490 31.231 1.259 1
1 507 . 3 1 1 A 43 43 ILE H H 43 9.110 8.176 0.934 1
1 508 . 3 1 1 A 43 43 ILE HA H 43 4.410 3.958 0.452 1
1 518 . 3 1 1 A 43 43 ILE C C 43 176.220 175.966 0.254 1
1 519 . 3 1 1 A 43 43 ILE CA C 43 61.480 62.628 -1.148 1
1 520 . 3 1 1 A 43 43 ILE CB C 43 39.510 38.184 1.326 1
1 524 . 3 1 1 A 43 43 ILE N N 43 115.610 120.111 -4.501 1
1 525 . 3 1 1 A 44 44 GLN H H 44 7.750 6.952 0.798 1
1 526 . 3 1 1 A 44 44 GLN HA H 44 4.610 4.816 -0.206 1
1 533 . 3 1 1 A 44 44 GLN C C 44 173.610 173.906 -0.296 1
1 534 . 3 1 1 A 44 44 GLN CA C 44 55.140 54.904 0.236 1
1 535 . 3 1 1 A 44 44 GLN CB C 44 31.460 32.428 -0.968 1
1 537 . 3 1 1 A 44 44 GLN N N 44 118.360 120.147 -1.787 1
1 539 . 3 1 1 A 45 45 THR H H 45 8.560 8.644 -0.084 1
1 540 . 3 1 1 A 45 45 THR HA H 45 5.140 5.107 0.033 1
1 545 . 3 1 1 A 45 45 THR C C 45 177.830 173.460 4.370 1
1 546 . 3 1 1 A 45 45 THR CA C 45 61.450 60.000 1.450 1
1 547 . 3 1 1 A 45 45 THR CB C 45 71.380 71.661 -0.281 1
1 549 . 3 1 1 A 45 45 THR N N 45 115.470 114.432 1.038 1
1 550 . 3 1 1 A 46 46 MET H H 46 9.100 9.165 -0.065 1
1 551 . 3 1 1 A 46 46 MET HA H 46 4.730 4.985 -0.255 1
1 556 . 3 1 1 A 46 46 MET C C 46 173.520 173.803 -0.283 1
1 557 . 3 1 1 A 46 46 MET CA C 46 54.560 54.491 0.069 1
1 558 . 3 1 1 A 46 46 MET CB C 46 36.500 37.024 -0.524 1
1 560 . 3 1 1 A 46 46 MET N N 46 123.160 120.905 2.255 1
1 561 . 3 1 1 A 47 47 LEU H H 47 8.490 8.800 -0.310 1
1 562 . 3 1 1 A 47 47 LEU HA H 47 4.730 5.038 -0.308 1
1 572 . 3 1 1 A 47 47 LEU C C 47 176.210 174.625 1.585 1
1 573 . 3 1 1 A 47 47 LEU CA C 47 54.440 53.645 0.795 1
1 574 . 3 1 1 A 47 47 LEU CB C 47 42.540 44.495 -1.955 1
1 578 . 3 1 1 A 47 47 LEU N N 47 124.300 126.002 -1.702 1
1 579 . 3 1 1 A 48 48 ILE H H 48 8.990 9.414 -0.424 1
1 580 . 3 1 1 A 48 48 ILE HA H 48 4.430 4.801 -0.371 1
1 590 . 3 1 1 A 48 48 ILE C C 48 175.040 174.144 0.896 1
1 591 . 3 1 1 A 48 48 ILE CA C 48 59.150 60.179 -1.029 1
1 592 . 3 1 1 A 48 48 ILE CB C 48 39.910 40.960 -1.050 1
1 596 . 3 1 1 A 48 48 ILE N N 48 125.760 127.723 -1.963 1
1 597 . 3 1 1 A 49 49 LYS H H 49 8.710 8.983 -0.273 1
1 598 . 3 1 1 A 49 49 LYS HA H 49 4.550 5.123 -0.573 1
1 607 . 3 1 1 A 49 49 LYS C C 49 176.060 176.328 -0.268 1
1 608 . 3 1 1 A 49 49 LYS CA C 49 56.570 54.702 1.868 1
1 609 . 3 1 1 A 49 49 LYS CB C 49 33.010 35.242 -2.232 1
1 613 . 3 1 1 A 49 49 LYS N N 49 126.480 128.746 -2.266 1
1 614 . 3 1 1 A 50 50 THR H H 50 8.150 8.941 -0.791 1
1 615 . 3 1 1 A 50 50 THR HA H 50 4.860 4.921 -0.061 1
1 620 . 3 1 1 A 50 50 THR CA C 50 60.030 60.003 0.027 1
1 621 . 3 1 1 A 50 50 THR CB C 50 72.820 70.461 2.359 1
1 623 . 3 1 1 A 50 50 THR N N 50 116.220 117.689 -1.469 1
1 624 . 3 1 1 A 51 51 ILE HA H 51 4.400 3.725 0.675 1
1 634 . 3 1 1 A 51 51 ILE C C 51 176.140 177.892 -1.752 1
1 635 . 3 1 1 A 51 51 ILE CA C 51 63.450 64.097 -0.647 1
1 636 . 3 1 1 A 51 51 ILE CB C 51 37.970 37.535 0.435 1
1 640 . 3 1 1 A 52 52 HIS H H 52 7.820 8.043 -0.223 1
1 641 . 3 1 1 A 52 52 HIS HA H 52 4.830 4.230 0.600 1
1 644 . 3 1 1 A 52 52 HIS C C 52 175.190 175.340 -0.150 1
1 645 . 3 1 1 A 52 52 HIS CA C 52 55.670 58.339 -2.669 1
1 646 . 3 1 1 A 52 52 HIS CB C 52 31.260 29.744 1.516 1
1 647 . 3 1 1 A 52 52 HIS N N 52 118.280 118.573 -0.293 1
1 648 . 3 1 1 A 53 53 GLY H H 53 7.590 7.371 0.219 1
1 649 . 3 1 1 A 53 53 GLY HA2 H 53 3.880 4.005 -0.125 1
1 650 . 3 1 1 A 53 53 GLY HA3 H 53 4.510 4.018 0.492 1
1 651 . 3 1 1 A 53 53 GLY C C 53 173.360 171.649 1.711 1
1 652 . 3 1 1 A 53 53 GLY CA C 53 44.510 45.896 -1.386 1
1 653 . 3 1 1 A 53 53 GLY N N 53 108.490 103.771 4.719 1
1 654 . 3 1 1 A 54 54 GLU H H 54 8.710 8.558 0.152 1
1 655 . 3 1 1 A 54 54 GLU HA H 54 5.050 4.553 0.497 1
1 660 . 3 1 1 A 54 54 GLU C C 54 175.890 176.244 -0.354 1
1 661 . 3 1 1 A 54 54 GLU CA C 54 55.980 56.152 -0.172 1
1 662 . 3 1 1 A 54 54 GLU CB C 54 31.610 30.657 0.953 1
1 664 . 3 1 1 A 54 54 GLU N N 54 121.850 120.584 1.266 1
1 665 . 3 1 1 A 55 55 LYS H H 55 8.930 9.459 -0.529 1
1 666 . 3 1 1 A 55 55 LYS HA H 55 4.670 5.114 -0.444 1
1 675 . 3 1 1 A 55 55 LYS C C 55 174.630 174.707 -0.077 1
1 676 . 3 1 1 A 55 55 LYS CA C 55 54.750 54.873 -0.123 1
1 677 . 3 1 1 A 55 55 LYS CB C 55 35.910 35.755 0.155 1
1 681 . 3 1 1 A 55 55 LYS N N 55 123.380 122.992 0.388 1
1 682 . 3 1 1 A 56 56 GLN H H 56 8.670 8.912 -0.242 1
1 683 . 3 1 1 A 56 56 GLN HA H 56 4.820 4.916 -0.096 1
1 688 . 3 1 1 A 56 56 GLN C C 56 175.780 174.691 1.089 1
1 689 . 3 1 1 A 56 56 GLN CA C 56 55.500 54.405 1.095 1
1 690 . 3 1 1 A 56 56 GLN CB C 56 29.470 30.652 -1.182 1
1 692 . 3 1 1 A 56 56 GLN N N 56 122.950 123.573 -0.623 1
1 693 . 3 1 1 A 57 57 GLN H H 57 9.210 8.950 0.260 1
1 694 . 3 1 1 A 57 57 GLN HA H 57 4.740 4.933 -0.193 1
1 701 . 3 1 1 A 57 57 GLN C C 57 174.100 174.620 -0.520 1
1 702 . 3 1 1 A 57 57 GLN CA C 57 54.760 54.508 0.252 1
1 703 . 3 1 1 A 57 57 GLN CB C 57 32.670 31.179 1.491 1
1 705 . 3 1 1 A 57 57 GLN N N 57 125.030 125.425 -0.395 1
1 707 . 3 1 1 A 58 58 ASP H H 58 8.570 9.030 -0.460 1
1 708 . 3 1 1 A 58 58 ASP HA H 58 4.860 5.315 -0.455 1
1 711 . 3 1 1 A 58 58 ASP C C 58 173.690 175.020 -1.330 1
1 712 . 3 1 1 A 58 58 ASP CA C 58 55.090 52.870 2.220 1
1 713 . 3 1 1 A 58 58 ASP CB C 58 42.120 43.947 -1.827 1
1 714 . 3 1 1 A 58 58 ASP N N 58 124.680 125.102 -0.422 1
1 715 . 3 1 1 A 59 59 VAL H H 59 8.480 9.026 -0.546 1
1 716 . 3 1 1 A 59 59 VAL HA H 59 4.610 4.840 -0.230 1
1 724 . 3 1 1 A 59 59 VAL C C 59 174.600 174.699 -0.099 1
1 725 . 3 1 1 A 59 59 VAL CA C 59 61.130 61.486 -0.356 1
1 726 . 3 1 1 A 59 59 VAL CB C 59 34.250 33.323 0.927 1
1 729 . 3 1 1 A 59 59 VAL N N 59 121.270 121.110 0.160 1
1 730 . 3 1 1 A 60 60 TYR H H 60 9.390 8.917 0.473 1
1 731 . 3 1 1 A 60 60 TYR HA H 60 4.800 5.027 -0.227 1
1 738 . 3 1 1 A 60 60 TYR C C 60 173.840 174.237 -0.397 1
1 739 . 3 1 1 A 60 60 TYR CA C 60 56.840 56.728 0.112 1
1 740 . 3 1 1 A 60 60 TYR CB C 60 41.190 41.674 -0.484 1
1 745 . 3 1 1 A 60 60 TYR N N 60 125.760 125.038 0.722 1
1 746 . 3 1 1 A 61 61 TYR H H 61 9.300 9.091 0.209 1
1 747 . 3 1 1 A 61 61 TYR HA H 61 5.370 5.053 0.317 1
1 754 . 3 1 1 A 61 61 TYR C C 61 174.300 174.400 -0.100 1
1 755 . 3 1 1 A 61 61 TYR CA C 61 57.490 57.162 0.328 1
1 756 . 3 1 1 A 61 61 TYR CB C 61 40.900 39.477 1.423 1
1 761 . 3 1 1 A 61 61 TYR N N 61 122.890 125.887 -2.997 1
1 762 . 3 1 1 A 62 62 LEU H H 62 8.770 8.830 -0.060 1
1 763 . 3 1 1 A 62 62 LEU HA H 62 4.780 5.108 -0.328 1
1 773 . 3 1 1 A 62 62 LEU C C 62 174.070 175.894 -1.824 1
1 774 . 3 1 1 A 62 62 LEU CA C 62 53.760 53.102 0.658 1
1 775 . 3 1 1 A 62 62 LEU CB C 62 49.020 45.611 3.409 1
1 779 . 3 1 1 A 62 62 LEU N N 62 129.700 128.965 0.735 1
1 780 . 3 1 1 A 63 63 THR H H 63 7.960 8.662 -0.702 1
1 781 . 3 1 1 A 63 63 THR HA H 63 5.410 5.217 0.193 1
1 786 . 3 1 1 A 63 63 THR C C 63 173.860 174.093 -0.233 1
1 787 . 3 1 1 A 63 63 THR CA C 63 60.850 61.142 -0.292 1
1 788 . 3 1 1 A 63 63 THR CB C 63 69.790 71.017 -1.227 1
1 790 . 3 1 1 A 63 63 THR N N 63 118.460 115.789 2.671 1
1 791 . 3 1 1 A 64 64 PHE H H 64 9.270 8.583 0.687 1
1 792 . 3 1 1 A 64 64 PHE HA H 64 5.100 5.340 -0.240 1
1 800 . 3 1 1 A 64 64 PHE C C 64 172.280 172.638 -0.358 1
1 801 . 3 1 1 A 64 64 PHE CA C 64 56.020 55.208 0.812 1
1 802 . 3 1 1 A 64 64 PHE CB C 64 38.350 42.137 -3.787 1
1 808 . 3 1 1 A 64 64 PHE N N 64 123.960 122.707 1.253 1
1 809 . 3 1 1 A 65 65 LYS H H 65 8.750 8.570 0.180 1
1 810 . 3 1 1 A 65 65 LYS HA H 65 5.500 4.910 0.590 1
1 819 . 3 1 1 A 65 65 LYS C C 65 176.300 175.564 0.736 1
1 820 . 3 1 1 A 65 65 LYS CA C 65 54.900 56.005 -1.105 1
1 821 . 3 1 1 A 65 65 LYS CB C 65 37.730 33.573 4.157 1
1 825 . 3 1 1 A 65 65 LYS N N 65 117.930 119.902 -1.972 1
1 826 . 3 1 1 A 66 66 VAL H H 66 8.840 9.370 -0.530 1
1 827 . 3 1 1 A 66 66 VAL HA H 66 4.520 4.563 -0.043 1
1 835 . 3 1 1 A 66 66 VAL C C 66 175.550 176.069 -0.519 1
1 836 . 3 1 1 A 66 66 VAL CA C 66 62.130 61.233 0.897 1
1 837 . 3 1 1 A 66 66 VAL CB C 66 35.100 32.804 2.296 1
1 840 . 3 1 1 A 66 66 VAL N N 66 119.330 125.019 -5.689 1
1 841 . 3 1 1 A 67 67 GLN H H 67 9.690 9.427 0.263 1
1 842 . 3 1 1 A 67 67 GLN HA H 67 4.050 4.077 -0.027 1
1 849 . 3 1 1 A 67 67 GLN C C 67 176.300 176.253 0.047 1
1 850 . 3 1 1 A 67 67 GLN CA C 67 56.720 57.136 -0.416 1
1 851 . 3 1 1 A 67 67 GLN CB C 67 28.230 26.807 1.423 1
1 853 . 3 1 1 A 67 67 GLN N N 67 125.930 128.816 -2.886 1
1 855 . 3 1 1 A 68 68 GLY H H 68 8.980 8.699 0.281 1
1 856 . 3 1 1 A 68 68 GLY HA2 H 68 3.510 3.855 -0.345 1
1 857 . 3 1 1 A 68 68 GLY HA3 H 68 4.140 3.861 0.279 1
1 858 . 3 1 1 A 68 68 GLY C C 68 173.410 173.762 -0.352 1
1 859 . 3 1 1 A 68 68 GLY CA C 68 45.460 45.848 -0.388 1
1 860 . 3 1 1 A 68 68 GLY N N 68 103.510 104.266 -0.756 1
1 861 . 3 1 1 A 69 69 ARG H H 69 8.070 7.782 0.288 1
1 862 . 3 1 1 A 69 69 ARG HA H 69 4.400 4.634 -0.234 1
1 869 . 3 1 1 A 69 69 ARG C C 69 174.880 174.608 0.272 1
1 870 . 3 1 1 A 69 69 ARG CA C 69 54.730 54.235 0.495 1
1 871 . 3 1 1 A 69 69 ARG CB C 69 31.520 32.904 -1.384 1
1 874 . 3 1 1 A 69 69 ARG N N 69 122.680 119.536 3.144 1
1 875 . 3 1 1 A 70 70 LYS H H 70 8.390 8.692 -0.302 1
1 876 . 3 1 1 A 70 70 LYS HA H 70 4.220 4.271 -0.051 1
1 885 . 3 1 1 A 70 70 LYS C C 70 175.330 174.927 0.403 1
1 886 . 3 1 1 A 70 70 LYS CA C 70 57.860 56.852 1.008 1
1 887 . 3 1 1 A 70 70 LYS CB C 70 32.790 32.778 0.012 1
1 891 . 3 1 1 A 70 70 LYS N N 70 123.590 126.912 -3.322 1
1 892 . 3 1 1 A 71 71 VAL H H 71 9.050 8.504 0.546 1
1 893 . 3 1 1 A 71 71 VAL HA H 71 4.140 4.547 -0.407 1
1 901 . 3 1 1 A 71 71 VAL C C 71 173.310 174.069 -0.759 1
1 902 . 3 1 1 A 71 71 VAL CA C 71 61.370 60.569 0.801 1
1 903 . 3 1 1 A 71 71 VAL CB C 71 34.610 35.480 -0.870 1
1 906 . 3 1 1 A 71 71 VAL N N 71 128.340 126.798 1.542 1
1 907 . 3 1 1 A 72 72 GLU H H 72 8.150 8.615 -0.465 1
1 908 . 3 1 1 A 72 72 GLU HA H 72 4.970 5.037 -0.067 1
1 913 . 3 1 1 A 72 72 GLU C C 72 174.910 175.546 -0.636 1
1 914 . 3 1 1 A 72 72 GLU CA C 72 54.490 54.979 -0.489 1
1 915 . 3 1 1 A 72 72 GLU CB C 72 31.410 32.331 -0.921 1
1 917 . 3 1 1 A 72 72 GLU N N 72 124.430 125.332 -0.902 1
1 918 . 3 1 1 A 73 73 ALA H H 73 8.420 8.189 0.231 1
1 919 . 3 1 1 A 73 73 ALA HA H 73 4.770 4.673 0.097 1
1 923 . 3 1 1 A 73 73 ALA C C 73 175.140 175.930 -0.790 1
1 924 . 3 1 1 A 73 73 ALA CA C 73 51.050 50.910 0.140 1
1 925 . 3 1 1 A 73 73 ALA CB C 73 23.060 23.279 -0.219 1
1 926 . 3 1 1 A 73 73 ALA N N 73 124.790 122.867 1.923 1
1 927 . 3 1 1 A 74 74 GLU H H 74 8.520 8.490 0.030 1
1 928 . 3 1 1 A 74 74 GLU HA H 74 5.260 5.339 -0.079 1
1 933 . 3 1 1 A 74 74 GLU C C 74 176.570 176.421 0.149 1
1 934 . 3 1 1 A 74 74 GLU CA C 74 55.770 56.470 -0.700 1
1 935 . 3 1 1 A 74 74 GLU CB C 74 29.840 30.311 -0.471 1
1 937 . 3 1 1 A 74 74 GLU N N 74 120.480 119.334 1.146 1
1 938 . 3 1 1 A 75 75 VAL H H 75 9.240 9.829 -0.589 1
1 939 . 3 1 1 A 75 75 VAL HA H 75 5.730 5.394 0.336 1
1 947 . 3 1 1 A 75 75 VAL C C 75 174.700 174.425 0.275 1
1 948 . 3 1 1 A 75 75 VAL CA C 75 57.950 59.070 -1.120 1
1 949 . 3 1 1 A 75 75 VAL CB C 75 36.540 35.295 1.245 1
1 952 . 3 1 1 A 75 75 VAL N N 75 113.070 118.760 -5.690 1
1 953 . 3 1 1 A 76 76 LEU H H 76 8.420 8.618 -0.198 1
1 954 . 3 1 1 A 76 76 LEU HA H 76 5.110 5.143 -0.033 1
1 964 . 3 1 1 A 76 76 LEU C C 76 176.970 175.962 1.008 1
1 965 . 3 1 1 A 76 76 LEU CA C 76 52.370 53.210 -0.840 1
1 966 . 3 1 1 A 76 76 LEU CB C 76 45.230 44.600 0.630 1
1 970 . 3 1 1 A 76 76 LEU N N 76 117.790 122.668 -4.878 1
1 971 . 3 1 1 A 77 77 ALA H H 77 8.930 8.572 0.358 1
1 972 . 3 1 1 A 77 77 ALA HA H 77 4.500 5.032 -0.532 1
1 976 . 3 1 1 A 77 77 ALA C C 77 177.950 176.751 1.199 1
1 977 . 3 1 1 A 77 77 ALA CA C 77 52.090 52.072 0.018 1
1 978 . 3 1 1 A 77 77 ALA CB C 77 20.280 19.418 0.862 1
1 979 . 3 1 1 A 77 77 ALA N N 77 122.210 127.391 -5.181 1
1 980 . 3 1 1 A 78 78 SER H H 78 8.380 8.410 -0.030 1
1 981 . 3 1 1 A 78 78 SER HA H 78 5.010 4.963 0.047 1
1 984 . 3 1 1 A 78 78 SER CA C 78 54.230 55.386 -1.156 1
1 985 . 3 1 1 A 78 78 SER CB C 78 66.050 66.200 -0.150 1
1 986 . 3 1 1 A 78 78 SER N N 78 117.830 116.396 1.434 1
1 987 . 3 1 1 A 79 79 PRO HA H 79 4.660 4.450 0.210 1
1 994 . 3 1 1 A 79 79 PRO C C 79 176.150 175.930 0.220 1
1 995 . 3 1 1 A 79 79 PRO CA C 79 62.860 63.353 -0.493 1
1 996 . 3 1 1 A 79 79 PRO CB C 79 31.230 31.503 -0.273 1
1 999 . 3 1 1 A 80 80 TYR H H 80 7.380 7.320 0.060 1
1 1000 . 3 1 1 A 80 80 TYR HA H 80 4.710 4.726 -0.016 1
1 1007 . 3 1 1 A 80 80 TYR C C 80 175.550 175.986 -0.436 1
1 1008 . 3 1 1 A 80 80 TYR CA C 80 56.150 57.722 -1.572 1
1 1009 . 3 1 1 A 80 80 TYR CB C 80 38.490 39.184 -0.694 1
1 1014 . 3 1 1 A 80 80 TYR N N 80 120.860 119.961 0.899 1
1 1015 . 3 1 1 A 81 81 ASP H H 81 8.290 8.984 -0.694 1
1 1016 . 3 1 1 A 81 81 ASP HA H 81 4.640 5.014 -0.374 1
1 1019 . 3 1 1 A 81 81 ASP C C 81 175.290 175.114 0.176 1
1 1020 . 3 1 1 A 81 81 ASP CA C 81 53.560 53.329 0.231 1
1 1021 . 3 1 1 A 81 81 ASP CB C 81 40.650 41.369 -0.719 1
1 1022 . 3 1 1 A 81 81 ASP N N 81 115.600 118.791 -3.191 1
1 1023 . 3 1 1 A 82 82 TYR H H 82 6.680 7.684 -1.004 1
1 1024 . 3 1 1 A 82 82 TYR HA H 82 5.160 5.303 -0.143 1
1 1031 . 3 1 1 A 82 82 TYR C C 82 173.930 172.897 1.033 1
1 1032 . 3 1 1 A 82 82 TYR CA C 82 53.190 55.677 -2.487 1
1 1033 . 3 1 1 A 82 82 TYR CB C 82 40.820 41.755 -0.935 1
1 1038 . 3 1 1 A 82 82 TYR N N 82 116.100 116.390 -0.290 1
1 1039 . 3 1 1 A 83 83 ILE H H 83 8.900 8.866 0.034 1
1 1040 . 3 1 1 A 83 83 ILE HA H 83 4.480 4.435 0.045 1
1 1050 . 3 1 1 A 83 83 ILE C C 83 175.160 174.700 0.460 1
1 1051 . 3 1 1 A 83 83 ILE CA C 83 60.940 60.171 0.769 1
1 1052 . 3 1 1 A 83 83 ILE CB C 83 40.980 40.268 0.712 1
1 1056 . 3 1 1 A 83 83 ILE N N 83 119.050 119.546 -0.496 1
1 1057 . 3 1 1 A 84 84 LEU H H 84 8.740 8.104 0.636 1
1 1058 . 3 1 1 A 84 84 LEU HA H 84 5.140 5.132 0.008 1
1 1068 . 3 1 1 A 84 84 LEU C C 84 174.920 175.210 -0.290 1
1 1069 . 3 1 1 A 84 84 LEU CA C 84 53.800 54.611 -0.811 1
1 1070 . 3 1 1 A 84 84 LEU CB C 84 44.100 43.199 0.901 1
1 1074 . 3 1 1 A 84 84 LEU N N 84 130.660 130.230 0.430 1
1 1075 . 3 1 1 A 85 85 LEU H H 85 9.010 9.635 -0.625 1
1 1076 . 3 1 1 A 85 85 LEU HA H 85 4.470 4.901 -0.431 1
1 1086 . 3 1 1 A 85 85 LEU C C 85 174.660 175.654 -0.994 1
1 1087 . 3 1 1 A 85 85 LEU CA C 85 54.080 53.675 0.405 1
1 1088 . 3 1 1 A 85 85 LEU CB C 85 44.350 43.964 0.386 1
1 1092 . 3 1 1 A 85 85 LEU N N 85 125.210 127.286 -2.076 1
1 1093 . 3 1 1 A 86 86 ASN H H 86 8.370 8.543 -0.173 1
1 1094 . 3 1 1 A 86 86 ASN HA H 86 4.680 4.804 -0.124 1
1 1099 . 3 1 1 A 86 86 ASN CA C 86 49.780 50.772 -0.992 1
1 1100 . 3 1 1 A 86 86 ASN CB C 86 38.890 40.263 -1.373 1
1 1101 . 3 1 1 A 86 86 ASN N N 86 122.970 122.729 0.241 1
1 1103 . 3 1 1 A 87 87 PRO HA H 87 3.600 4.537 -0.937 1
1 1110 . 3 1 1 A 87 87 PRO C C 87 178.740 178.664 0.076 1
1 1111 . 3 1 1 A 87 87 PRO CA C 87 65.050 64.758 0.292 1
1 1112 . 3 1 1 A 87 87 PRO CB C 87 33.160 32.106 1.054 1
1 1115 . 3 1 1 A 88 88 SER H H 88 7.580 8.327 -0.747 1
1 1116 . 3 1 1 A 88 88 SER HA H 88 4.100 4.170 -0.070 1
1 1119 . 3 1 1 A 88 88 SER C C 88 175.480 176.688 -1.208 1
1 1120 . 3 1 1 A 88 88 SER CA C 88 60.730 61.465 -0.735 1
1 1121 . 3 1 1 A 88 88 SER CB C 88 62.870 62.852 0.018 1
1 1122 . 3 1 1 A 88 88 SER N N 88 109.530 114.401 -4.871 1
1 1123 . 3 1 1 A 89 89 ASP H H 89 8.170 8.222 -0.052 1
1 1124 . 3 1 1 A 89 89 ASP HA H 89 4.770 4.538 0.232 1
1 1127 . 3 1 1 A 89 89 ASP C C 89 175.730 177.181 -1.451 1
1 1128 . 3 1 1 A 89 89 ASP CA C 89 56.030 56.779 -0.749 1
1 1129 . 3 1 1 A 89 89 ASP CB C 89 41.380 41.120 0.260 1
1 1130 . 3 1 1 A 89 89 ASP N N 89 118.600 121.042 -2.442 1
1 1131 . 3 1 1 A 90 90 VAL H H 90 7.050 7.118 -0.068 1
1 1132 . 3 1 1 A 90 90 VAL HA H 90 4.050 2.817 1.233 1
1 1140 . 3 1 1 A 90 90 VAL CA C 90 56.960 58.402 -1.442 1
1 1141 . 3 1 1 A 90 90 VAL CB C 90 31.710 31.182 0.528 1
1 1144 . 3 1 1 A 90 90 VAL N N 90 109.580 112.490 -2.910 1
1 1145 . 3 1 1 A 91 91 PRO HA H 91 4.250 4.369 -0.119 1
1 1152 . 3 1 1 A 91 91 PRO C C 91 176.870 177.575 -0.705 1
1 1153 . 3 1 1 A 91 91 PRO CA C 91 65.190 64.417 0.773 1
1 1154 . 3 1 1 A 91 91 PRO CB C 91 31.470 31.840 -0.370 1
1 1157 . 3 1 1 A 92 92 TRP H H 92 6.720 7.893 -1.173 1
1 1158 . 3 1 1 A 92 92 TRP HA H 92 4.570 4.456 0.114 1
1 1167 . 3 1 1 A 92 92 TRP C C 92 176.630 179.314 -2.684 1
1 1168 . 3 1 1 A 92 92 TRP CA C 92 56.910 60.002 -3.092 1
1 1169 . 3 1 1 A 92 92 TRP CB C 92 27.990 28.138 -0.148 1
1 1175 . 3 1 1 A 92 92 TRP N N 92 115.110 117.893 -2.783 1
1 1177 . 3 1 1 A 93 93 LEU H H 93 7.150 7.478 -0.328 1
1 1178 . 3 1 1 A 93 93 LEU HA H 93 4.220 3.840 0.380 1
1 1188 . 3 1 1 A 93 93 LEU C C 93 176.210 179.100 -2.890 1
1 1189 . 3 1 1 A 93 93 LEU CA C 93 55.350 57.675 -2.325 1
1 1190 . 3 1 1 A 93 93 LEU CB C 93 42.190 40.864 1.326 1
1 1194 . 3 1 1 A 93 93 LEU N N 93 123.090 122.444 0.646 1
1 1195 . 3 1 1 A 94 94 MET H H 94 7.730 7.942 -0.212 1
1 1196 . 3 1 1 A 94 94 MET HA H 94 4.340 3.979 0.361 1
1 1201 . 3 1 1 A 94 94 MET C C 94 175.550 177.093 -1.543 1
1 1202 . 3 1 1 A 94 94 MET CA C 94 55.120 58.680 -3.560 1
1 1203 . 3 1 1 A 94 94 MET CB C 94 32.630 32.096 0.534 1
1 1205 . 3 1 1 A 94 94 MET N N 94 118.250 116.871 1.379 1
1 1206 . 3 1 1 A 95 95 LYS H H 95 7.950 7.373 0.577 1
1 1207 . 3 1 1 A 95 95 LYS HA H 95 4.260 4.341 -0.081 1
1 1210 . 3 1 1 A 95 95 LYS C C 95 176.130 177.009 -0.879 1
1 1211 . 3 1 1 A 95 95 LYS CA C 95 56.150 55.792 0.358 1
1 1212 . 3 1 1 A 95 95 LYS CB C 95 33.010 33.286 -0.276 1
1 1213 . 3 1 1 A 95 95 LYS N N 95 121.650 118.390 3.260 1
1 1214 . 3 1 1 A 96 96 LYS H H 96 8.260 8.908 -0.648 1
1 1215 . 3 1 1 A 96 96 LYS N N 96 123.570 123.241 0.329 1
1 1216 . 3 1 1 A 97 97 PRO HA H 97 4.530 4.358 0.172 1
1 1219 . 3 1 1 A 97 97 PRO C C 97 176.830 176.869 -0.039 1
1 1220 . 3 1 1 A 97 97 PRO CA C 97 63.180 63.200 -0.020 1
1 1221 . 3 1 1 A 97 97 PRO CB C 97 32.050 32.077 -0.027 1
1 88 . 4 1 1 A 9 9 PRO HA H 9 4.410 4.411 -0.001 1
1 95 . 4 1 1 A 9 9 PRO C C 9 176.460 176.607 -0.147 1
1 96 . 4 1 1 A 9 9 PRO CA C 9 63.030 62.276 0.754 1
1 97 . 4 1 1 A 9 9 PRO CB C 9 32.210 31.839 0.371 1
1 100 . 4 1 1 A 10 10 LEU H H 10 9.190 8.621 0.569 1
1 101 . 4 1 1 A 10 10 LEU HA H 10 4.640 4.522 0.118 1
1 111 . 4 1 1 A 10 10 LEU C C 10 176.620 176.859 -0.239 1
1 112 . 4 1 1 A 10 10 LEU CA C 10 53.420 54.312 -0.892 1
1 113 . 4 1 1 A 10 10 LEU CB C 10 44.290 42.642 1.648 1
1 117 . 4 1 1 A 10 10 LEU N N 10 123.060 122.595 0.465 1
1 118 . 4 1 1 A 11 11 GLU H H 11 8.720 8.452 0.268 1
1 119 . 4 1 1 A 11 11 GLU HA H 11 4.490 5.034 -0.544 1
1 124 . 4 1 1 A 11 11 GLU C C 11 176.620 175.910 0.710 1
1 125 . 4 1 1 A 11 11 GLU CA C 11 57.060 55.202 1.858 1
1 126 . 4 1 1 A 11 11 GLU CB C 11 30.820 32.091 -1.271 1
1 128 . 4 1 1 A 11 11 GLU N N 11 121.330 119.867 1.463 1
1 129 . 4 1 1 A 12 12 ALA H H 12 8.760 8.628 0.132 1
1 130 . 4 1 1 A 12 12 ALA HA H 12 5.390 5.289 0.101 1
1 134 . 4 1 1 A 12 12 ALA C C 12 176.040 175.004 1.036 1
1 135 . 4 1 1 A 12 12 ALA CA C 12 50.350 51.113 -0.763 1
1 136 . 4 1 1 A 12 12 ALA CB C 12 24.490 23.649 0.841 1
1 137 . 4 1 1 A 12 12 ALA N N 12 127.010 123.458 3.552 1
1 138 . 4 1 1 A 13 13 GLU H H 13 8.850 9.225 -0.375 1
1 139 . 4 1 1 A 13 13 GLU HA H 13 5.240 5.559 -0.319 1
1 144 . 4 1 1 A 13 13 GLU C C 13 175.320 174.881 0.439 1
1 145 . 4 1 1 A 13 13 GLU CA C 13 55.580 54.919 0.661 1
1 146 . 4 1 1 A 13 13 GLU CB C 13 34.410 32.749 1.661 1
1 148 . 4 1 1 A 13 13 GLU N N 13 119.980 121.314 -1.334 1
1 149 . 4 1 1 A 14 14 ILE H H 14 8.420 8.829 -0.409 1
1 150 . 4 1 1 A 14 14 ILE HA H 14 4.210 4.589 -0.379 1
1 160 . 4 1 1 A 14 14 ILE C C 14 174.520 175.903 -1.383 1
1 161 . 4 1 1 A 14 14 ILE CA C 14 61.000 59.864 1.136 1
1 162 . 4 1 1 A 14 14 ILE CB C 14 40.430 39.413 1.017 1
1 166 . 4 1 1 A 14 14 ILE N N 14 123.990 127.029 -3.039 1
1 167 . 4 1 1 A 15 15 LYS H H 15 9.590 9.155 0.435 1
1 168 . 4 1 1 A 15 15 LYS HA H 15 3.880 4.056 -0.176 1
1 177 . 4 1 1 A 15 15 LYS C C 15 176.880 176.807 0.073 1
1 178 . 4 1 1 A 15 15 LYS CA C 15 57.890 57.530 0.360 1
1 179 . 4 1 1 A 15 15 LYS CB C 15 30.550 30.317 0.233 1
1 183 . 4 1 1 A 15 15 LYS N N 15 124.930 128.534 -3.604 1
1 184 . 4 1 1 A 16 16 GLY H H 16 8.730 8.624 0.106 1
1 185 . 4 1 1 A 16 16 GLY HA2 H 16 3.670 3.858 -0.188 1
1 186 . 4 1 1 A 16 16 GLY HA3 H 16 4.230 3.864 0.366 1
1 187 . 4 1 1 A 16 16 GLY C C 16 174.360 173.799 0.561 1
1 188 . 4 1 1 A 16 16 GLY CA C 16 45.540 45.532 0.008 1
1 189 . 4 1 1 A 16 16 GLY N N 16 104.580 105.534 -0.954 1
1 190 . 4 1 1 A 17 17 THR H H 17 8.400 8.015 0.385 1
1 191 . 4 1 1 A 17 17 THR HA H 17 4.490 4.562 -0.072 1
1 196 . 4 1 1 A 17 17 THR C C 17 172.970 173.660 -0.690 1
1 197 . 4 1 1 A 17 17 THR CA C 17 62.580 62.039 0.541 1
1 198 . 4 1 1 A 17 17 THR CB C 17 70.320 70.672 -0.352 1
1 200 . 4 1 1 A 17 17 THR N N 17 120.070 117.018 3.052 1
1 201 . 4 1 1 A 18 18 LYS H H 18 8.750 8.857 -0.107 1
1 202 . 4 1 1 A 18 18 LYS HA H 18 4.920 4.736 0.184 1
1 211 . 4 1 1 A 18 18 LYS C C 18 175.860 176.197 -0.337 1
1 212 . 4 1 1 A 18 18 LYS CA C 18 56.350 56.502 -0.152 1
1 213 . 4 1 1 A 18 18 LYS CB C 18 32.940 32.926 0.014 1
1 217 . 4 1 1 A 18 18 LYS N N 18 127.270 127.262 0.008 1
1 218 . 4 1 1 A 19 19 LEU H H 19 8.750 9.180 -0.430 1
1 219 . 4 1 1 A 19 19 LEU HA H 19 4.850 5.046 -0.196 1
1 229 . 4 1 1 A 19 19 LEU C C 19 174.210 176.134 -1.924 1
1 230 . 4 1 1 A 19 19 LEU CA C 19 55.160 53.467 1.693 1
1 231 . 4 1 1 A 19 19 LEU CB C 19 43.340 46.222 -2.882 1
1 235 . 4 1 1 A 19 19 LEU N N 19 123.470 125.553 -2.083 1
1 236 . 4 1 1 A 20 20 LYS H H 20 8.660 8.432 0.228 1
1 237 . 4 1 1 A 20 20 LYS HA H 20 5.180 4.690 0.490 1
1 246 . 4 1 1 A 20 20 LYS C C 20 175.650 175.910 -0.260 1
1 247 . 4 1 1 A 20 20 LYS CA C 20 54.630 56.068 -1.438 1
1 248 . 4 1 1 A 20 20 LYS CB C 20 34.710 34.097 0.613 1
1 252 . 4 1 1 A 20 20 LYS N N 20 118.320 121.312 -2.992 1
1 253 . 4 1 1 A 21 21 ALA H H 21 8.860 8.625 0.235 1
1 254 . 4 1 1 A 21 21 ALA HA H 21 5.470 5.263 0.207 1
1 258 . 4 1 1 A 21 21 ALA C C 21 174.740 175.544 -0.804 1
1 259 . 4 1 1 A 21 21 ALA CA C 21 49.510 50.928 -1.418 1
1 260 . 4 1 1 A 21 21 ALA CB C 21 22.990 24.182 -1.192 1
1 261 . 4 1 1 A 21 21 ALA N N 21 120.460 122.121 -1.661 1
1 262 . 4 1 1 A 22 22 HIS H H 22 9.140 9.319 -0.179 1
1 263 . 4 1 1 A 22 22 HIS HA H 22 5.070 5.375 -0.305 1
1 268 . 4 1 1 A 22 22 HIS C C 22 174.310 173.919 0.391 1
1 269 . 4 1 1 A 22 22 HIS CA C 22 54.040 53.337 0.703 1
1 270 . 4 1 1 A 22 22 HIS CB C 22 32.390 33.563 -1.173 1
1 272 . 4 1 1 A 22 22 HIS N N 22 119.890 115.902 3.988 1
1 273 . 4 1 1 A 23 23 TRP H H 23 9.160 9.137 0.023 1
1 274 . 4 1 1 A 23 23 TRP HA H 23 4.360 4.747 -0.387 1
1 283 . 4 1 1 A 23 23 TRP C C 23 175.070 174.934 0.136 1
1 284 . 4 1 1 A 23 23 TRP CA C 23 59.160 56.882 2.278 1
1 285 . 4 1 1 A 23 23 TRP CB C 23 30.710 30.209 0.501 1
1 291 . 4 1 1 A 23 23 TRP N N 23 126.610 126.129 0.481 1
1 293 . 4 1 1 A 24 24 ASP H H 24 7.720 7.918 -0.198 1
1 294 . 4 1 1 A 24 24 ASP HA H 24 4.880 4.797 0.083 1
1 297 . 4 1 1 A 24 24 ASP C C 24 175.340 175.411 -0.071 1
1 298 . 4 1 1 A 24 24 ASP CA C 24 53.030 52.360 0.670 1
1 299 . 4 1 1 A 24 24 ASP CB C 24 43.510 41.733 1.777 1
1 300 . 4 1 1 A 24 24 ASP N N 24 126.750 128.465 -1.715 1
1 301 . 4 1 1 A 25 25 SER H H 25 8.490 8.279 0.211 1
1 302 . 4 1 1 A 25 25 SER HA H 25 3.580 3.476 0.104 1
1 305 . 4 1 1 A 25 25 SER C C 25 175.340 176.565 -1.225 1
1 306 . 4 1 1 A 25 25 SER CA C 25 60.640 60.928 -0.288 1
1 307 . 4 1 1 A 25 25 SER CB C 25 62.990 62.542 0.448 1
1 308 . 4 1 1 A 25 25 SER N N 25 119.220 119.528 -0.308 1
1 309 . 4 1 1 A 26 26 GLY H H 26 8.670 7.891 0.779 1
1 310 . 4 1 1 A 26 26 GLY HA2 H 26 3.630 3.896 -0.266 1
1 311 . 4 1 1 A 26 26 GLY HA3 H 26 4.200 3.900 0.300 1
1 312 . 4 1 1 A 26 26 GLY C C 26 174.190 174.641 -0.451 1
1 313 . 4 1 1 A 26 26 GLY CA C 26 44.760 46.444 -1.684 1
1 314 . 4 1 1 A 26 26 GLY N N 26 109.290 109.507 -0.217 1
1 315 . 4 1 1 A 27 27 ALA H H 27 7.550 7.457 0.093 1
1 316 . 4 1 1 A 27 27 ALA HA H 27 4.370 4.283 0.087 1
1 320 . 4 1 1 A 27 27 ALA C C 27 178.430 178.479 -0.049 1
1 321 . 4 1 1 A 27 27 ALA CA C 27 52.240 52.148 0.092 1
1 322 . 4 1 1 A 27 27 ALA CB C 27 18.240 19.644 -1.404 1
1 323 . 4 1 1 A 27 27 ALA N N 27 124.840 123.284 1.556 1
1 324 . 4 1 1 A 28 28 THR H H 28 8.260 8.868 -0.608 1
1 325 . 4 1 1 A 28 28 THR HA H 28 4.230 4.435 -0.205 1
1 330 . 4 1 1 A 28 28 THR C C 28 173.830 174.333 -0.503 1
1 331 . 4 1 1 A 28 28 THR CA C 28 62.180 62.051 0.129 1
1 332 . 4 1 1 A 28 28 THR CB C 28 69.240 69.368 -0.128 1
1 333 . 4 1 1 A 28 28 THR N N 28 112.480 112.041 0.439 1
1 334 . 4 1 1 A 29 29 ILE H H 29 7.460 7.495 -0.035 1
1 335 . 4 1 1 A 29 29 ILE HA H 29 4.540 4.676 -0.136 1
1 345 . 4 1 1 A 29 29 ILE C C 29 173.440 174.187 -0.747 1
1 346 . 4 1 1 A 29 29 ILE CA C 29 60.540 59.319 1.221 1
1 347 . 4 1 1 A 29 29 ILE CB C 29 40.780 42.059 -1.279 1
1 351 . 4 1 1 A 29 29 ILE N N 29 118.820 121.825 -3.005 1
1 352 . 4 1 1 A 30 30 THR H H 30 9.380 8.702 0.678 1
1 353 . 4 1 1 A 30 30 THR HA H 30 4.870 4.501 0.369 1
1 358 . 4 1 1 A 30 30 THR C C 30 173.600 174.301 -0.701 1
1 359 . 4 1 1 A 30 30 THR CA C 30 64.280 62.641 1.639 1
1 360 . 4 1 1 A 30 30 THR CB C 30 69.840 69.397 0.443 1
1 361 . 4 1 1 A 30 30 THR N N 30 129.290 121.037 8.253 1
1 362 . 4 1 1 A 31 31 CYS H H 31 9.180 8.706 0.474 1
1 363 . 4 1 1 A 31 31 CYS HA H 31 5.530 5.247 0.283 1
1 366 . 4 1 1 A 31 31 CYS C C 31 174.420 173.546 0.874 1
1 367 . 4 1 1 A 31 31 CYS CA C 31 56.540 57.111 -0.571 1
1 368 . 4 1 1 A 31 31 CYS CB C 31 30.780 29.744 1.036 1
1 369 . 4 1 1 A 31 31 CYS N N 31 122.220 123.934 -1.714 1
1 370 . 4 1 1 A 32 32 VAL H H 32 9.090 8.738 0.352 1
1 371 . 4 1 1 A 32 32 VAL HA H 32 4.710 4.769 -0.059 1
1 379 . 4 1 1 A 32 32 VAL CA C 32 57.300 57.930 -0.630 1
1 380 . 4 1 1 A 32 32 VAL CB C 32 32.860 33.607 -0.747 1
1 383 . 4 1 1 A 32 32 VAL N N 32 117.890 118.199 -0.309 1
1 384 . 4 1 1 A 33 33 PRO HA H 33 4.530 5.228 -0.698 1
1 391 . 4 1 1 A 33 33 PRO C C 33 178.110 177.815 0.295 1
1 392 . 4 1 1 A 33 33 PRO CA C 33 64.140 62.523 1.617 1
1 393 . 4 1 1 A 33 33 PRO CB C 33 32.200 32.412 -0.212 1
1 396 . 4 1 1 A 34 34 GLU H H 34 8.380 8.613 -0.233 1
1 397 . 4 1 1 A 34 34 GLU HA H 34 3.730 3.932 -0.202 1
1 402 . 4 1 1 A 34 34 GLU C C 34 177.830 178.268 -0.438 1
1 403 . 4 1 1 A 34 34 GLU CA C 34 59.480 59.521 -0.041 1
1 404 . 4 1 1 A 34 34 GLU CB C 34 29.860 29.234 0.626 1
1 406 . 4 1 1 A 34 34 GLU N N 34 122.200 124.348 -2.148 1
1 407 . 4 1 1 A 35 35 ALA H H 35 9.050 8.085 0.965 1
1 408 . 4 1 1 A 35 35 ALA HA H 35 4.030 4.004 0.026 1
1 412 . 4 1 1 A 35 35 ALA C C 35 180.250 179.097 1.153 1
1 413 . 4 1 1 A 35 35 ALA CA C 35 54.850 54.805 0.045 1
1 414 . 4 1 1 A 35 35 ALA CB C 35 18.160 18.482 -0.322 1
1 415 . 4 1 1 A 35 35 ALA N N 35 123.090 121.995 1.095 1
1 416 . 4 1 1 A 36 36 PHE H H 36 7.510 8.074 -0.564 1
1 417 . 4 1 1 A 36 36 PHE HA H 36 4.370 4.400 -0.030 1
1 425 . 4 1 1 A 36 36 PHE C C 36 174.870 176.862 -1.992 1
1 426 . 4 1 1 A 36 36 PHE CA C 36 60.160 59.730 0.430 1
1 427 . 4 1 1 A 36 36 PHE CB C 36 38.930 39.492 -0.562 1
1 433 . 4 1 1 A 36 36 PHE N N 36 112.030 115.506 -3.476 1
1 434 . 4 1 1 A 37 37 LEU H H 37 7.640 8.144 -0.504 1
1 435 . 4 1 1 A 37 37 LEU HA H 37 4.230 4.581 -0.351 1
1 445 . 4 1 1 A 37 37 LEU C C 37 177.380 176.152 1.228 1
1 446 . 4 1 1 A 37 37 LEU CA C 37 53.080 54.122 -1.042 1
1 447 . 4 1 1 A 37 37 LEU CB C 37 41.050 41.900 -0.850 1
1 451 . 4 1 1 A 37 37 LEU N N 37 116.800 116.625 0.175 1
1 452 . 4 1 1 A 38 38 GLU H H 38 7.050 7.779 -0.729 1
1 453 . 4 1 1 A 38 38 GLU HA H 38 3.980 4.043 -0.063 1
1 458 . 4 1 1 A 38 38 GLU C C 38 176.630 176.826 -0.196 1
1 459 . 4 1 1 A 38 38 GLU CA C 38 59.250 56.443 2.807 1
1 460 . 4 1 1 A 38 38 GLU CB C 38 29.870 29.328 0.542 1
1 462 . 4 1 1 A 38 38 GLU N N 38 121.260 122.667 -1.407 1
1 463 . 4 1 1 A 39 39 ASP H H 39 8.690 8.932 -0.242 1
1 464 . 4 1 1 A 39 39 ASP HA H 39 4.700 4.186 0.514 1
1 467 . 4 1 1 A 39 39 ASP C C 39 175.570 175.534 0.036 1
1 468 . 4 1 1 A 39 39 ASP CA C 39 53.760 55.263 -1.503 1
1 469 . 4 1 1 A 39 39 ASP CB C 39 40.010 39.252 0.758 1
1 470 . 4 1 1 A 39 39 ASP N N 39 115.590 121.323 -5.733 1
1 471 . 4 1 1 A 40 40 GLU H H 40 7.460 7.902 -0.442 1
1 472 . 4 1 1 A 40 40 GLU HA H 40 4.720 4.390 0.330 1
1 477 . 4 1 1 A 40 40 GLU C C 40 175.660 175.317 0.343 1
1 478 . 4 1 1 A 40 40 GLU CA C 40 54.240 56.594 -2.354 1
1 479 . 4 1 1 A 40 40 GLU CB C 40 31.240 31.202 0.038 1
1 481 . 4 1 1 A 40 40 GLU N N 40 118.210 117.984 0.226 1
1 482 . 4 1 1 A 41 41 ARG H H 41 9.130 8.678 0.452 1
1 483 . 4 1 1 A 41 41 ARG HA H 41 5.080 4.859 0.221 1
1 490 . 4 1 1 A 41 41 ARG CA C 41 52.540 52.300 0.240 1
1 491 . 4 1 1 A 41 41 ARG CB C 41 31.240 31.451 -0.211 1
1 494 . 4 1 1 A 41 41 ARG N N 41 121.830 119.933 1.897 1
1 495 . 4 1 1 A 42 42 PRO HA H 42 3.840 3.821 0.019 1
1 502 . 4 1 1 A 42 42 PRO C C 42 177.180 177.174 0.006 1
1 503 . 4 1 1 A 42 42 PRO CA C 42 63.010 61.834 1.176 1
1 504 . 4 1 1 A 42 42 PRO CB C 42 32.490 31.349 1.141 1
1 507 . 4 1 1 A 43 43 ILE H H 43 9.110 8.243 0.867 1
1 508 . 4 1 1 A 43 43 ILE HA H 43 4.410 4.095 0.315 1
1 518 . 4 1 1 A 43 43 ILE C C 43 176.220 176.074 0.146 1
1 519 . 4 1 1 A 43 43 ILE CA C 43 61.480 62.010 -0.530 1
1 520 . 4 1 1 A 43 43 ILE CB C 43 39.510 38.403 1.107 1
1 524 . 4 1 1 A 43 43 ILE N N 43 115.610 118.166 -2.556 1
1 525 . 4 1 1 A 44 44 GLN H H 44 7.750 7.570 0.180 1
1 526 . 4 1 1 A 44 44 GLN HA H 44 4.610 4.784 -0.174 1
1 533 . 4 1 1 A 44 44 GLN C C 44 173.610 174.033 -0.423 1
1 534 . 4 1 1 A 44 44 GLN CA C 44 55.140 54.383 0.757 1
1 535 . 4 1 1 A 44 44 GLN CB C 44 31.460 33.996 -2.536 1
1 537 . 4 1 1 A 44 44 GLN N N 44 118.360 119.561 -1.201 1
1 539 . 4 1 1 A 45 45 THR H H 45 8.560 8.821 -0.261 1
1 540 . 4 1 1 A 45 45 THR HA H 45 5.140 5.198 -0.058 1
1 545 . 4 1 1 A 45 45 THR C C 45 177.830 173.517 4.313 1
1 546 . 4 1 1 A 45 45 THR CA C 45 61.450 59.970 1.480 1
1 547 . 4 1 1 A 45 45 THR CB C 45 71.380 71.771 -0.391 1
1 549 . 4 1 1 A 45 45 THR N N 45 115.470 112.697 2.773 1
1 550 . 4 1 1 A 46 46 MET H H 46 9.100 8.984 0.116 1
1 551 . 4 1 1 A 46 46 MET HA H 46 4.730 5.123 -0.393 1
1 556 . 4 1 1 A 46 46 MET C C 46 173.520 174.405 -0.885 1
1 557 . 4 1 1 A 46 46 MET CA C 46 54.560 54.303 0.257 1
1 558 . 4 1 1 A 46 46 MET CB C 46 36.500 37.578 -1.078 1
1 560 . 4 1 1 A 46 46 MET N N 46 123.160 121.264 1.896 1
1 561 . 4 1 1 A 47 47 LEU H H 47 8.490 8.617 -0.127 1
1 562 . 4 1 1 A 47 47 LEU HA H 47 4.730 5.204 -0.474 1
1 572 . 4 1 1 A 47 47 LEU C C 47 176.210 176.120 0.090 1
1 573 . 4 1 1 A 47 47 LEU CA C 47 54.440 53.491 0.949 1
1 574 . 4 1 1 A 47 47 LEU CB C 47 42.540 43.936 -1.396 1
1 578 . 4 1 1 A 47 47 LEU N N 47 124.300 122.350 1.950 1
1 579 . 4 1 1 A 48 48 ILE H H 48 8.990 9.332 -0.342 1
1 580 . 4 1 1 A 48 48 ILE HA H 48 4.430 4.868 -0.438 1
1 590 . 4 1 1 A 48 48 ILE C C 48 175.040 174.499 0.541 1
1 591 . 4 1 1 A 48 48 ILE CA C 48 59.150 60.110 -0.960 1
1 592 . 4 1 1 A 48 48 ILE CB C 48 39.910 40.845 -0.935 1
1 596 . 4 1 1 A 48 48 ILE N N 48 125.760 123.108 2.652 1
1 597 . 4 1 1 A 49 49 LYS H H 49 8.710 8.938 -0.228 1
1 598 . 4 1 1 A 49 49 LYS HA H 49 4.550 4.931 -0.381 1
1 607 . 4 1 1 A 49 49 LYS C C 49 176.060 175.706 0.354 1
1 608 . 4 1 1 A 49 49 LYS CA C 49 56.570 55.444 1.126 1
1 609 . 4 1 1 A 49 49 LYS CB C 49 33.010 34.206 -1.196 1
1 613 . 4 1 1 A 49 49 LYS N N 49 126.480 126.984 -0.504 1
1 614 . 4 1 1 A 50 50 THR H H 50 8.150 8.935 -0.785 1
1 615 . 4 1 1 A 50 50 THR HA H 50 4.860 4.781 0.079 1
1 620 . 4 1 1 A 50 50 THR CA C 50 60.030 61.302 -1.272 1
1 621 . 4 1 1 A 50 50 THR CB C 50 72.820 72.873 -0.053 1
1 623 . 4 1 1 A 50 50 THR N N 50 116.220 118.241 -2.021 1
1 624 . 4 1 1 A 51 51 ILE HA H 51 4.400 3.714 0.686 1
1 634 . 4 1 1 A 51 51 ILE C C 51 176.140 177.460 -1.320 1
1 635 . 4 1 1 A 51 51 ILE CA C 51 63.450 64.418 -0.968 1
1 636 . 4 1 1 A 51 51 ILE CB C 51 37.970 37.692 0.278 1
1 640 . 4 1 1 A 52 52 HIS H H 52 7.820 8.031 -0.211 1
1 641 . 4 1 1 A 52 52 HIS HA H 52 4.830 4.286 0.544 1
1 644 . 4 1 1 A 52 52 HIS C C 52 175.190 175.265 -0.075 1
1 645 . 4 1 1 A 52 52 HIS CA C 52 55.670 58.574 -2.904 1
1 646 . 4 1 1 A 52 52 HIS CB C 52 31.260 30.105 1.155 1
1 647 . 4 1 1 A 52 52 HIS N N 52 118.280 120.769 -2.489 1
1 648 . 4 1 1 A 53 53 GLY H H 53 7.590 7.398 0.192 1
1 649 . 4 1 1 A 53 53 GLY HA2 H 53 3.880 4.007 -0.127 1
1 650 . 4 1 1 A 53 53 GLY HA3 H 53 4.510 4.021 0.489 1
1 651 . 4 1 1 A 53 53 GLY C C 53 173.360 171.523 1.837 1
1 652 . 4 1 1 A 53 53 GLY CA C 53 44.510 45.822 -1.312 1
1 653 . 4 1 1 A 53 53 GLY N N 53 108.490 103.917 4.573 1
1 654 . 4 1 1 A 54 54 GLU H H 54 8.710 8.492 0.218 1
1 655 . 4 1 1 A 54 54 GLU HA H 54 5.050 4.817 0.233 1
1 660 . 4 1 1 A 54 54 GLU C C 54 175.890 174.804 1.086 1
1 661 . 4 1 1 A 54 54 GLU CA C 54 55.980 55.689 0.291 1
1 662 . 4 1 1 A 54 54 GLU CB C 54 31.610 31.254 0.356 1
1 664 . 4 1 1 A 54 54 GLU N N 54 121.850 120.370 1.480 1
1 665 . 4 1 1 A 55 55 LYS H H 55 8.930 9.343 -0.413 1
1 666 . 4 1 1 A 55 55 LYS HA H 55 4.670 5.167 -0.497 1
1 675 . 4 1 1 A 55 55 LYS C C 55 174.630 173.887 0.743 1
1 676 . 4 1 1 A 55 55 LYS CA C 55 54.750 54.540 0.210 1
1 677 . 4 1 1 A 55 55 LYS CB C 55 35.910 36.102 -0.192 1
1 681 . 4 1 1 A 55 55 LYS N N 55 123.380 123.967 -0.587 1
1 682 . 4 1 1 A 56 56 GLN H H 56 8.670 8.951 -0.281 1
1 683 . 4 1 1 A 56 56 GLN HA H 56 4.820 5.026 -0.206 1
1 688 . 4 1 1 A 56 56 GLN C C 56 175.780 174.598 1.182 1
1 689 . 4 1 1 A 56 56 GLN CA C 56 55.500 54.332 1.168 1
1 690 . 4 1 1 A 56 56 GLN CB C 56 29.470 31.219 -1.749 1
1 692 . 4 1 1 A 56 56 GLN N N 56 122.950 127.842 -4.892 1
1 693 . 4 1 1 A 57 57 GLN H H 57 9.210 8.696 0.514 1
1 694 . 4 1 1 A 57 57 GLN HA H 57 4.740 5.031 -0.291 1
1 701 . 4 1 1 A 57 57 GLN C C 57 174.100 174.531 -0.431 1
1 702 . 4 1 1 A 57 57 GLN CA C 57 54.760 54.711 0.049 1
1 703 . 4 1 1 A 57 57 GLN CB C 57 32.670 32.375 0.295 1
1 705 . 4 1 1 A 57 57 GLN N N 57 125.030 124.988 0.042 1
1 707 . 4 1 1 A 58 58 ASP H H 58 8.570 8.685 -0.115 1
1 708 . 4 1 1 A 58 58 ASP HA H 58 4.860 5.022 -0.162 1
1 711 . 4 1 1 A 58 58 ASP C C 58 173.690 175.908 -2.218 1
1 712 . 4 1 1 A 58 58 ASP CA C 58 55.090 54.136 0.954 1
1 713 . 4 1 1 A 58 58 ASP CB C 58 42.120 42.510 -0.390 1
1 714 . 4 1 1 A 58 58 ASP N N 58 124.680 121.349 3.331 1
1 715 . 4 1 1 A 59 59 VAL H H 59 8.480 9.244 -0.764 1
1 716 . 4 1 1 A 59 59 VAL HA H 59 4.610 4.728 -0.118 1
1 724 . 4 1 1 A 59 59 VAL C C 59 174.600 174.401 0.199 1
1 725 . 4 1 1 A 59 59 VAL CA C 59 61.130 60.869 0.261 1
1 726 . 4 1 1 A 59 59 VAL CB C 59 34.250 33.407 0.843 1
1 729 . 4 1 1 A 59 59 VAL N N 59 121.270 123.267 -1.997 1
1 730 . 4 1 1 A 60 60 TYR H H 60 9.390 8.979 0.411 1
1 731 . 4 1 1 A 60 60 TYR HA H 60 4.800 5.026 -0.226 1
1 738 . 4 1 1 A 60 60 TYR C C 60 173.840 174.210 -0.370 1
1 739 . 4 1 1 A 60 60 TYR CA C 60 56.840 57.086 -0.246 1
1 740 . 4 1 1 A 60 60 TYR CB C 60 41.190 42.712 -1.522 1
1 745 . 4 1 1 A 60 60 TYR N N 60 125.760 125.328 0.432 1
1 746 . 4 1 1 A 61 61 TYR H H 61 9.300 9.008 0.292 1
1 747 . 4 1 1 A 61 61 TYR HA H 61 5.370 5.177 0.193 1
1 754 . 4 1 1 A 61 61 TYR C C 61 174.300 174.353 -0.053 1
1 755 . 4 1 1 A 61 61 TYR CA C 61 57.490 57.093 0.397 1
1 756 . 4 1 1 A 61 61 TYR CB C 61 40.900 40.329 0.571 1
1 761 . 4 1 1 A 61 61 TYR N N 61 122.890 125.077 -2.187 1
1 762 . 4 1 1 A 62 62 LEU H H 62 8.770 8.806 -0.036 1
1 763 . 4 1 1 A 62 62 LEU HA H 62 4.780 5.125 -0.345 1
1 773 . 4 1 1 A 62 62 LEU C C 62 174.070 175.813 -1.743 1
1 774 . 4 1 1 A 62 62 LEU CA C 62 53.760 53.234 0.526 1
1 775 . 4 1 1 A 62 62 LEU CB C 62 49.020 45.901 3.119 1
1 779 . 4 1 1 A 62 62 LEU N N 62 129.700 129.010 0.690 1
1 780 . 4 1 1 A 63 63 THR H H 63 7.960 8.663 -0.703 1
1 781 . 4 1 1 A 63 63 THR HA H 63 5.410 5.097 0.313 1
1 786 . 4 1 1 A 63 63 THR C C 63 173.860 174.069 -0.209 1
1 787 . 4 1 1 A 63 63 THR CA C 63 60.850 61.146 -0.296 1
1 788 . 4 1 1 A 63 63 THR CB C 63 69.790 70.445 -0.655 1
1 790 . 4 1 1 A 63 63 THR N N 63 118.460 115.627 2.833 1
1 791 . 4 1 1 A 64 64 PHE H H 64 9.270 8.576 0.694 1
1 792 . 4 1 1 A 64 64 PHE HA H 64 5.100 5.721 -0.621 1
1 800 . 4 1 1 A 64 64 PHE C C 64 172.280 172.577 -0.297 1
1 801 . 4 1 1 A 64 64 PHE CA C 64 56.020 55.173 0.847 1
1 802 . 4 1 1 A 64 64 PHE CB C 64 38.350 42.148 -3.798 1
1 808 . 4 1 1 A 64 64 PHE N N 64 123.960 123.074 0.886 1
1 809 . 4 1 1 A 65 65 LYS H H 65 8.750 9.127 -0.377 1
1 810 . 4 1 1 A 65 65 LYS HA H 65 5.500 5.101 0.399 1
1 819 . 4 1 1 A 65 65 LYS C C 65 176.300 175.844 0.456 1
1 820 . 4 1 1 A 65 65 LYS CA C 65 54.900 55.840 -0.940 1
1 821 . 4 1 1 A 65 65 LYS CB C 65 37.730 33.629 4.101 1
1 825 . 4 1 1 A 65 65 LYS N N 65 117.930 119.967 -2.037 1
1 826 . 4 1 1 A 66 66 VAL H H 66 8.840 9.545 -0.705 1
1 827 . 4 1 1 A 66 66 VAL HA H 66 4.520 4.620 -0.100 1
1 835 . 4 1 1 A 66 66 VAL C C 66 175.550 175.969 -0.419 1
1 836 . 4 1 1 A 66 66 VAL CA C 66 62.130 61.288 0.842 1
1 837 . 4 1 1 A 66 66 VAL CB C 66 35.100 32.215 2.885 1
1 840 . 4 1 1 A 66 66 VAL N N 66 119.330 125.200 -5.870 1
1 841 . 4 1 1 A 67 67 GLN H H 67 9.690 9.269 0.421 1
1 842 . 4 1 1 A 67 67 GLN HA H 67 4.050 4.082 -0.032 1
1 849 . 4 1 1 A 67 67 GLN C C 67 176.300 176.152 0.148 1
1 850 . 4 1 1 A 67 67 GLN CA C 67 56.720 57.130 -0.410 1
1 851 . 4 1 1 A 67 67 GLN CB C 67 28.230 26.770 1.460 1
1 853 . 4 1 1 A 67 67 GLN N N 67 125.930 128.774 -2.844 1
1 855 . 4 1 1 A 68 68 GLY H H 68 8.980 8.670 0.310 1
1 856 . 4 1 1 A 68 68 GLY HA2 H 68 3.510 3.838 -0.328 1
1 857 . 4 1 1 A 68 68 GLY HA3 H 68 4.140 3.846 0.294 1
1 858 . 4 1 1 A 68 68 GLY C C 68 173.410 173.828 -0.418 1
1 859 . 4 1 1 A 68 68 GLY CA C 68 45.460 45.773 -0.313 1
1 860 . 4 1 1 A 68 68 GLY N N 68 103.510 104.782 -1.272 1
1 861 . 4 1 1 A 69 69 ARG H H 69 8.070 7.846 0.224 1
1 862 . 4 1 1 A 69 69 ARG HA H 69 4.400 4.669 -0.269 1
1 869 . 4 1 1 A 69 69 ARG C C 69 174.880 174.694 0.186 1
1 870 . 4 1 1 A 69 69 ARG CA C 69 54.730 54.266 0.464 1
1 871 . 4 1 1 A 69 69 ARG CB C 69 31.520 32.892 -1.372 1
1 874 . 4 1 1 A 69 69 ARG N N 69 122.680 119.831 2.849 1
1 875 . 4 1 1 A 70 70 LYS H H 70 8.390 8.600 -0.210 1
1 876 . 4 1 1 A 70 70 LYS HA H 70 4.220 4.404 -0.184 1
1 885 . 4 1 1 A 70 70 LYS C C 70 175.330 174.919 0.411 1
1 886 . 4 1 1 A 70 70 LYS CA C 70 57.860 56.783 1.077 1
1 887 . 4 1 1 A 70 70 LYS CB C 70 32.790 32.784 0.006 1
1 891 . 4 1 1 A 70 70 LYS N N 70 123.590 125.567 -1.977 1
1 892 . 4 1 1 A 71 71 VAL H H 71 9.050 8.230 0.820 1
1 893 . 4 1 1 A 71 71 VAL HA H 71 4.140 4.572 -0.432 1
1 901 . 4 1 1 A 71 71 VAL C C 71 173.310 174.083 -0.773 1
1 902 . 4 1 1 A 71 71 VAL CA C 71 61.370 60.596 0.774 1
1 903 . 4 1 1 A 71 71 VAL CB C 71 34.610 35.309 -0.699 1
1 906 . 4 1 1 A 71 71 VAL N N 71 128.340 126.786 1.554 1
1 907 . 4 1 1 A 72 72 GLU H H 72 8.150 8.727 -0.577 1
1 908 . 4 1 1 A 72 72 GLU HA H 72 4.970 4.997 -0.027 1
1 913 . 4 1 1 A 72 72 GLU C C 72 174.910 175.503 -0.593 1
1 914 . 4 1 1 A 72 72 GLU CA C 72 54.490 54.897 -0.407 1
1 915 . 4 1 1 A 72 72 GLU CB C 72 31.410 32.387 -0.977 1
1 917 . 4 1 1 A 72 72 GLU N N 72 124.430 125.493 -1.063 1
1 918 . 4 1 1 A 73 73 ALA H H 73 8.420 8.069 0.351 1
1 919 . 4 1 1 A 73 73 ALA HA H 73 4.770 4.776 -0.006 1
1 923 . 4 1 1 A 73 73 ALA C C 73 175.140 175.931 -0.791 1
1 924 . 4 1 1 A 73 73 ALA CA C 73 51.050 50.894 0.156 1
1 925 . 4 1 1 A 73 73 ALA CB C 73 23.060 23.243 -0.183 1
1 926 . 4 1 1 A 73 73 ALA N N 73 124.790 122.845 1.945 1
1 927 . 4 1 1 A 74 74 GLU H H 74 8.520 8.556 -0.036 1
1 928 . 4 1 1 A 74 74 GLU HA H 74 5.260 5.309 -0.049 1
1 933 . 4 1 1 A 74 74 GLU C C 74 176.570 176.478 0.092 1
1 934 . 4 1 1 A 74 74 GLU CA C 74 55.770 56.783 -1.013 1
1 935 . 4 1 1 A 74 74 GLU CB C 74 29.840 30.343 -0.503 1
1 937 . 4 1 1 A 74 74 GLU N N 74 120.480 119.353 1.127 1
1 938 . 4 1 1 A 75 75 VAL H H 75 9.240 9.763 -0.523 1
1 939 . 4 1 1 A 75 75 VAL HA H 75 5.730 5.465 0.265 1
1 947 . 4 1 1 A 75 75 VAL C C 75 174.700 174.594 0.106 1
1 948 . 4 1 1 A 75 75 VAL CA C 75 57.950 59.071 -1.121 1
1 949 . 4 1 1 A 75 75 VAL CB C 75 36.540 35.591 0.949 1
1 952 . 4 1 1 A 75 75 VAL N N 75 113.070 118.724 -5.654 1
1 953 . 4 1 1 A 76 76 LEU H H 76 8.420 8.651 -0.231 1
1 954 . 4 1 1 A 76 76 LEU HA H 76 5.110 5.191 -0.081 1
1 964 . 4 1 1 A 76 76 LEU C C 76 176.970 176.225 0.745 1
1 965 . 4 1 1 A 76 76 LEU CA C 76 52.370 53.291 -0.921 1
1 966 . 4 1 1 A 76 76 LEU CB C 76 45.230 44.919 0.311 1
1 970 . 4 1 1 A 76 76 LEU N N 76 117.790 122.924 -5.134 1
1 971 . 4 1 1 A 77 77 ALA H H 77 8.930 8.554 0.376 1
1 972 . 4 1 1 A 77 77 ALA HA H 77 4.500 4.825 -0.325 1
1 976 . 4 1 1 A 77 77 ALA C C 77 177.950 176.754 1.196 1
1 977 . 4 1 1 A 77 77 ALA CA C 77 52.090 52.017 0.073 1
1 978 . 4 1 1 A 77 77 ALA CB C 77 20.280 19.700 0.580 1
1 979 . 4 1 1 A 77 77 ALA N N 77 122.210 126.895 -4.685 1
1 980 . 4 1 1 A 78 78 SER H H 78 8.380 8.368 0.012 1
1 981 . 4 1 1 A 78 78 SER HA H 78 5.010 4.913 0.097 1
1 984 . 4 1 1 A 78 78 SER CA C 78 54.230 55.469 -1.239 1
1 985 . 4 1 1 A 78 78 SER CB C 78 66.050 65.944 0.106 1
1 986 . 4 1 1 A 78 78 SER N N 78 117.830 115.918 1.912 1
1 987 . 4 1 1 A 79 79 PRO HA H 79 4.660 4.453 0.207 1
1 994 . 4 1 1 A 79 79 PRO C C 79 176.150 175.956 0.194 1
1 995 . 4 1 1 A 79 79 PRO CA C 79 62.860 63.385 -0.525 1
1 996 . 4 1 1 A 79 79 PRO CB C 79 31.230 31.526 -0.296 1
1 999 . 4 1 1 A 80 80 TYR H H 80 7.380 7.198 0.182 1
1 1000 . 4 1 1 A 80 80 TYR HA H 80 4.710 4.705 0.005 1
1 1007 . 4 1 1 A 80 80 TYR C C 80 175.550 175.952 -0.402 1
1 1008 . 4 1 1 A 80 80 TYR CA C 80 56.150 57.658 -1.508 1
1 1009 . 4 1 1 A 80 80 TYR CB C 80 38.490 39.340 -0.850 1
1 1014 . 4 1 1 A 80 80 TYR N N 80 120.860 120.314 0.546 1
1 1015 . 4 1 1 A 81 81 ASP H H 81 8.290 9.029 -0.739 1
1 1016 . 4 1 1 A 81 81 ASP HA H 81 4.640 4.964 -0.324 1
1 1019 . 4 1 1 A 81 81 ASP C C 81 175.290 175.175 0.115 1
1 1020 . 4 1 1 A 81 81 ASP CA C 81 53.560 53.355 0.205 1
1 1021 . 4 1 1 A 81 81 ASP CB C 81 40.650 41.335 -0.685 1
1 1022 . 4 1 1 A 81 81 ASP N N 81 115.600 119.101 -3.501 1
1 1023 . 4 1 1 A 82 82 TYR H H 82 6.680 7.624 -0.944 1
1 1024 . 4 1 1 A 82 82 TYR HA H 82 5.160 5.161 -0.001 1
1 1031 . 4 1 1 A 82 82 TYR C C 82 173.930 173.103 0.827 1
1 1032 . 4 1 1 A 82 82 TYR CA C 82 53.190 55.962 -2.772 1
1 1033 . 4 1 1 A 82 82 TYR CB C 82 40.820 41.652 -0.832 1
1 1038 . 4 1 1 A 82 82 TYR N N 82 116.100 116.218 -0.118 1
1 1039 . 4 1 1 A 83 83 ILE H H 83 8.900 8.666 0.234 1
1 1040 . 4 1 1 A 83 83 ILE HA H 83 4.480 4.588 -0.108 1
1 1050 . 4 1 1 A 83 83 ILE C C 83 175.160 174.805 0.355 1
1 1051 . 4 1 1 A 83 83 ILE CA C 83 60.940 59.327 1.613 1
1 1052 . 4 1 1 A 83 83 ILE CB C 83 40.980 41.662 -0.682 1
1 1056 . 4 1 1 A 83 83 ILE N N 83 119.050 119.126 -0.076 1
1 1057 . 4 1 1 A 84 84 LEU H H 84 8.740 9.788 -1.048 1
1 1058 . 4 1 1 A 84 84 LEU HA H 84 5.140 5.351 -0.211 1
1 1068 . 4 1 1 A 84 84 LEU C C 84 174.920 175.501 -0.581 1
1 1069 . 4 1 1 A 84 84 LEU CA C 84 53.800 53.372 0.428 1
1 1070 . 4 1 1 A 84 84 LEU CB C 84 44.100 43.310 0.790 1
1 1074 . 4 1 1 A 84 84 LEU N N 84 130.660 126.354 4.306 1
1 1075 . 4 1 1 A 85 85 LEU H H 85 9.010 8.933 0.077 1
1 1076 . 4 1 1 A 85 85 LEU HA H 85 4.470 4.810 -0.340 1
1 1086 . 4 1 1 A 85 85 LEU C C 85 174.660 175.713 -1.053 1
1 1087 . 4 1 1 A 85 85 LEU CA C 85 54.080 53.311 0.769 1
1 1088 . 4 1 1 A 85 85 LEU CB C 85 44.350 44.439 -0.089 1
1 1092 . 4 1 1 A 85 85 LEU N N 85 125.210 124.443 0.767 1
1 1093 . 4 1 1 A 86 86 ASN H H 86 8.370 8.581 -0.211 1
1 1094 . 4 1 1 A 86 86 ASN HA H 86 4.680 4.958 -0.278 1
1 1099 . 4 1 1 A 86 86 ASN CA C 86 49.780 49.940 -0.160 1
1 1100 . 4 1 1 A 86 86 ASN CB C 86 38.890 40.504 -1.614 1
1 1101 . 4 1 1 A 86 86 ASN N N 86 122.970 121.812 1.158 1
1 1103 . 4 1 1 A 87 87 PRO HA H 87 3.600 4.675 -1.075 1
1 1110 . 4 1 1 A 87 87 PRO C C 87 178.740 178.442 0.298 1
1 1111 . 4 1 1 A 87 87 PRO CA C 87 65.050 64.920 0.130 1
1 1112 . 4 1 1 A 87 87 PRO CB C 87 33.160 32.136 1.024 1
1 1115 . 4 1 1 A 88 88 SER H H 88 7.580 9.353 -1.773 1
1 1116 . 4 1 1 A 88 88 SER HA H 88 4.100 4.270 -0.170 1
1 1119 . 4 1 1 A 88 88 SER C C 88 175.480 176.575 -1.095 1
1 1120 . 4 1 1 A 88 88 SER CA C 88 60.730 61.097 -0.367 1
1 1121 . 4 1 1 A 88 88 SER CB C 88 62.870 63.272 -0.402 1
1 1122 . 4 1 1 A 88 88 SER N N 88 109.530 114.200 -4.670 1
1 1123 . 4 1 1 A 89 89 ASP H H 89 8.170 8.288 -0.118 1
1 1124 . 4 1 1 A 89 89 ASP HA H 89 4.770 4.550 0.220 1
1 1127 . 4 1 1 A 89 89 ASP C C 89 175.730 177.122 -1.392 1
1 1128 . 4 1 1 A 89 89 ASP CA C 89 56.030 56.774 -0.744 1
1 1129 . 4 1 1 A 89 89 ASP CB C 89 41.380 41.217 0.163 1
1 1130 . 4 1 1 A 89 89 ASP N N 89 118.600 120.494 -1.894 1
1 1131 . 4 1 1 A 90 90 VAL H H 90 7.050 7.236 -0.186 1
1 1132 . 4 1 1 A 90 90 VAL HA H 90 4.050 3.302 0.748 1
1 1140 . 4 1 1 A 90 90 VAL CA C 90 56.960 58.531 -1.571 1
1 1141 . 4 1 1 A 90 90 VAL CB C 90 31.710 31.284 0.426 1
1 1144 . 4 1 1 A 90 90 VAL N N 90 109.580 112.746 -3.166 1
1 1145 . 4 1 1 A 91 91 PRO HA H 91 4.250 4.425 -0.175 1
1 1152 . 4 1 1 A 91 91 PRO C C 91 176.870 177.729 -0.859 1
1 1153 . 4 1 1 A 91 91 PRO CA C 91 65.190 64.472 0.718 1
1 1154 . 4 1 1 A 91 91 PRO CB C 91 31.470 31.815 -0.345 1
1 1157 . 4 1 1 A 92 92 TRP H H 92 6.720 7.661 -0.941 1
1 1158 . 4 1 1 A 92 92 TRP HA H 92 4.570 4.457 0.113 1
1 1167 . 4 1 1 A 92 92 TRP C C 92 176.630 178.188 -1.558 1
1 1168 . 4 1 1 A 92 92 TRP CA C 92 56.910 59.300 -2.390 1
1 1169 . 4 1 1 A 92 92 TRP CB C 92 27.990 28.496 -0.506 1
1 1175 . 4 1 1 A 92 92 TRP N N 92 115.110 117.896 -2.786 1
1 1177 . 4 1 1 A 93 93 LEU H H 93 7.150 7.388 -0.238 1
1 1178 . 4 1 1 A 93 93 LEU HA H 93 4.220 3.973 0.247 1
1 1188 . 4 1 1 A 93 93 LEU C C 93 176.210 176.377 -0.167 1
1 1189 . 4 1 1 A 93 93 LEU CA C 93 55.350 57.717 -2.367 1
1 1190 . 4 1 1 A 93 93 LEU CB C 93 42.190 41.567 0.623 1
1 1194 . 4 1 1 A 93 93 LEU N N 93 123.090 123.299 -0.209 1
1 1195 . 4 1 1 A 94 94 MET H H 94 7.730 7.717 0.013 1
1 1196 . 4 1 1 A 94 94 MET HA H 94 4.340 4.389 -0.049 1
1 1201 . 4 1 1 A 94 94 MET C C 94 175.550 175.817 -0.267 1
1 1202 . 4 1 1 A 94 94 MET CA C 94 55.120 53.941 1.179 1
1 1203 . 4 1 1 A 94 94 MET CB C 94 32.630 32.496 0.134 1
1 1205 . 4 1 1 A 94 94 MET N N 94 118.250 117.666 0.584 1
1 1206 . 4 1 1 A 95 95 LYS H H 95 7.950 8.629 -0.679 1
1 1207 . 4 1 1 A 95 95 LYS HA H 95 4.260 4.932 -0.672 1
1 1210 . 4 1 1 A 95 95 LYS C C 95 176.130 175.243 0.887 1
1 1211 . 4 1 1 A 95 95 LYS CA C 95 56.150 54.411 1.739 1
1 1212 . 4 1 1 A 95 95 LYS CB C 95 33.010 35.469 -2.459 1
1 1213 . 4 1 1 A 95 95 LYS N N 95 121.650 123.374 -1.724 1
1 1214 . 4 1 1 A 96 96 LYS H H 96 8.260 8.559 -0.299 1
1 1215 . 4 1 1 A 96 96 LYS N N 96 123.570 124.163 -0.593 1
1 1216 . 4 1 1 A 97 97 PRO HA H 97 4.530 4.538 -0.008 1
1 1219 . 4 1 1 A 97 97 PRO C C 97 176.830 176.646 0.184 1
1 1220 . 4 1 1 A 97 97 PRO CA C 97 63.180 64.302 -1.122 1
1 1221 . 4 1 1 A 97 97 PRO CB C 97 32.050 32.114 -0.064 1
1 88 . 5 1 1 A 9 9 PRO HA H 9 4.410 4.366 0.044 1
1 95 . 5 1 1 A 9 9 PRO C C 9 176.460 176.943 -0.483 1
1 96 . 5 1 1 A 9 9 PRO CA C 9 63.030 62.409 0.621 1
1 97 . 5 1 1 A 9 9 PRO CB C 9 32.210 31.697 0.513 1
1 100 . 5 1 1 A 10 10 LEU H H 10 9.190 8.584 0.606 1
1 101 . 5 1 1 A 10 10 LEU HA H 10 4.640 4.586 0.054 1
1 111 . 5 1 1 A 10 10 LEU C C 10 176.620 176.066 0.554 1
1 112 . 5 1 1 A 10 10 LEU CA C 10 53.420 54.175 -0.755 1
1 113 . 5 1 1 A 10 10 LEU CB C 10 44.290 42.684 1.606 1
1 117 . 5 1 1 A 10 10 LEU N N 10 123.060 123.034 0.026 1
1 118 . 5 1 1 A 11 11 GLU H H 11 8.720 8.397 0.323 1
1 119 . 5 1 1 A 11 11 GLU HA H 11 4.490 5.098 -0.608 1
1 124 . 5 1 1 A 11 11 GLU C C 11 176.620 175.666 0.954 1
1 125 . 5 1 1 A 11 11 GLU CA C 11 57.060 54.863 2.197 1
1 126 . 5 1 1 A 11 11 GLU CB C 11 30.820 33.146 -2.326 1
1 128 . 5 1 1 A 11 11 GLU N N 11 121.330 118.772 2.558 1
1 129 . 5 1 1 A 12 12 ALA H H 12 8.760 8.666 0.094 1
1 130 . 5 1 1 A 12 12 ALA HA H 12 5.390 5.265 0.125 1
1 134 . 5 1 1 A 12 12 ALA C C 12 176.040 175.135 0.905 1
1 135 . 5 1 1 A 12 12 ALA CA C 12 50.350 50.922 -0.572 1
1 136 . 5 1 1 A 12 12 ALA CB C 12 24.490 23.828 0.662 1
1 137 . 5 1 1 A 12 12 ALA N N 12 127.010 123.706 3.304 1
1 138 . 5 1 1 A 13 13 GLU H H 13 8.850 8.985 -0.135 1
1 139 . 5 1 1 A 13 13 GLU HA H 13 5.240 5.670 -0.430 1
1 144 . 5 1 1 A 13 13 GLU C C 13 175.320 174.795 0.525 1
1 145 . 5 1 1 A 13 13 GLU CA C 13 55.580 54.903 0.677 1
1 146 . 5 1 1 A 13 13 GLU CB C 13 34.410 32.845 1.565 1
1 148 . 5 1 1 A 13 13 GLU N N 13 119.980 121.302 -1.322 1
1 149 . 5 1 1 A 14 14 ILE H H 14 8.420 8.904 -0.484 1
1 150 . 5 1 1 A 14 14 ILE HA H 14 4.210 4.634 -0.424 1
1 160 . 5 1 1 A 14 14 ILE C C 14 174.520 175.956 -1.436 1
1 161 . 5 1 1 A 14 14 ILE CA C 14 61.000 59.934 1.066 1
1 162 . 5 1 1 A 14 14 ILE CB C 14 40.430 39.644 0.786 1
1 166 . 5 1 1 A 14 14 ILE N N 14 123.990 126.814 -2.824 1
1 167 . 5 1 1 A 15 15 LYS H H 15 9.590 9.654 -0.064 1
1 168 . 5 1 1 A 15 15 LYS HA H 15 3.880 4.059 -0.179 1
1 177 . 5 1 1 A 15 15 LYS C C 15 176.880 176.720 0.160 1
1 178 . 5 1 1 A 15 15 LYS CA C 15 57.890 57.536 0.354 1
1 179 . 5 1 1 A 15 15 LYS CB C 15 30.550 30.272 0.278 1
1 183 . 5 1 1 A 15 15 LYS N N 15 124.930 128.552 -3.622 1
1 184 . 5 1 1 A 16 16 GLY H H 16 8.730 8.527 0.203 1
1 185 . 5 1 1 A 16 16 GLY HA2 H 16 3.670 3.872 -0.202 1
1 186 . 5 1 1 A 16 16 GLY HA3 H 16 4.230 3.877 0.353 1
1 187 . 5 1 1 A 16 16 GLY C C 16 174.360 173.974 0.386 1
1 188 . 5 1 1 A 16 16 GLY CA C 16 45.540 45.280 0.260 1
1 189 . 5 1 1 A 16 16 GLY N N 16 104.580 105.815 -1.235 1
1 190 . 5 1 1 A 17 17 THR H H 17 8.400 8.201 0.199 1
1 191 . 5 1 1 A 17 17 THR HA H 17 4.490 4.327 0.163 1
1 196 . 5 1 1 A 17 17 THR C C 17 172.970 173.829 -0.859 1
1 197 . 5 1 1 A 17 17 THR CA C 17 62.580 63.340 -0.760 1
1 198 . 5 1 1 A 17 17 THR CB C 17 70.320 69.406 0.914 1
1 200 . 5 1 1 A 17 17 THR N N 17 120.070 116.971 3.099 1
1 201 . 5 1 1 A 18 18 LYS H H 18 8.750 8.763 -0.013 1
1 202 . 5 1 1 A 18 18 LYS HA H 18 4.920 4.873 0.047 1
1 211 . 5 1 1 A 18 18 LYS C C 18 175.860 175.203 0.657 1
1 212 . 5 1 1 A 18 18 LYS CA C 18 56.350 56.084 0.266 1
1 213 . 5 1 1 A 18 18 LYS CB C 18 32.940 33.159 -0.219 1
1 217 . 5 1 1 A 18 18 LYS N N 18 127.270 127.443 -0.173 1
1 218 . 5 1 1 A 19 19 LEU H H 19 8.750 9.085 -0.335 1
1 219 . 5 1 1 A 19 19 LEU HA H 19 4.850 5.041 -0.191 1
1 229 . 5 1 1 A 19 19 LEU C C 19 174.210 176.043 -1.833 1
1 230 . 5 1 1 A 19 19 LEU CA C 19 55.160 53.405 1.755 1
1 231 . 5 1 1 A 19 19 LEU CB C 19 43.340 45.612 -2.272 1
1 235 . 5 1 1 A 19 19 LEU N N 19 123.470 127.541 -4.071 1
1 236 . 5 1 1 A 20 20 LYS H H 20 8.660 8.430 0.230 1
1 237 . 5 1 1 A 20 20 LYS HA H 20 5.180 4.657 0.523 1
1 246 . 5 1 1 A 20 20 LYS C C 20 175.650 175.742 -0.092 1
1 247 . 5 1 1 A 20 20 LYS CA C 20 54.630 56.003 -1.373 1
1 248 . 5 1 1 A 20 20 LYS CB C 20 34.710 34.135 0.575 1
1 252 . 5 1 1 A 20 20 LYS N N 20 118.320 120.842 -2.522 1
1 253 . 5 1 1 A 21 21 ALA H H 21 8.860 8.304 0.556 1
1 254 . 5 1 1 A 21 21 ALA HA H 21 5.470 5.465 0.005 1
1 258 . 5 1 1 A 21 21 ALA C C 21 174.740 175.598 -0.858 1
1 259 . 5 1 1 A 21 21 ALA CA C 21 49.510 50.733 -1.223 1
1 260 . 5 1 1 A 21 21 ALA CB C 21 22.990 24.048 -1.058 1
1 261 . 5 1 1 A 21 21 ALA N N 21 120.460 122.083 -1.623 1
1 262 . 5 1 1 A 22 22 HIS H H 22 9.140 9.273 -0.133 1
1 263 . 5 1 1 A 22 22 HIS HA H 22 5.070 5.284 -0.214 1
1 268 . 5 1 1 A 22 22 HIS C C 22 174.310 174.073 0.237 1
1 269 . 5 1 1 A 22 22 HIS CA C 22 54.040 53.530 0.510 1
1 270 . 5 1 1 A 22 22 HIS CB C 22 32.390 33.068 -0.678 1
1 272 . 5 1 1 A 22 22 HIS N N 22 119.890 116.366 3.524 1
1 273 . 5 1 1 A 23 23 TRP H H 23 9.160 9.053 0.107 1
1 274 . 5 1 1 A 23 23 TRP HA H 23 4.360 4.707 -0.347 1
1 283 . 5 1 1 A 23 23 TRP C C 23 175.070 174.861 0.209 1
1 284 . 5 1 1 A 23 23 TRP CA C 23 59.160 57.120 2.040 1
1 285 . 5 1 1 A 23 23 TRP CB C 23 30.710 29.628 1.082 1
1 291 . 5 1 1 A 23 23 TRP N N 23 126.610 126.907 -0.297 1
1 293 . 5 1 1 A 24 24 ASP H H 24 7.720 7.978 -0.258 1
1 294 . 5 1 1 A 24 24 ASP HA H 24 4.880 4.816 0.064 1
1 297 . 5 1 1 A 24 24 ASP C C 24 175.340 175.598 -0.258 1
1 298 . 5 1 1 A 24 24 ASP CA C 24 53.030 52.261 0.769 1
1 299 . 5 1 1 A 24 24 ASP CB C 24 43.510 42.171 1.339 1
1 300 . 5 1 1 A 24 24 ASP N N 24 126.750 128.655 -1.905 1
1 301 . 5 1 1 A 25 25 SER H H 25 8.490 8.410 0.080 1
1 302 . 5 1 1 A 25 25 SER HA H 25 3.580 3.499 0.081 1
1 305 . 5 1 1 A 25 25 SER C C 25 175.340 176.637 -1.297 1
1 306 . 5 1 1 A 25 25 SER CA C 25 60.640 60.934 -0.294 1
1 307 . 5 1 1 A 25 25 SER CB C 25 62.990 62.484 0.506 1
1 308 . 5 1 1 A 25 25 SER N N 25 119.220 119.621 -0.401 1
1 309 . 5 1 1 A 26 26 GLY H H 26 8.670 8.016 0.654 1
1 310 . 5 1 1 A 26 26 GLY HA2 H 26 3.630 3.883 -0.253 1
1 311 . 5 1 1 A 26 26 GLY HA3 H 26 4.200 3.887 0.313 1
1 312 . 5 1 1 A 26 26 GLY C C 26 174.190 174.733 -0.543 1
1 313 . 5 1 1 A 26 26 GLY CA C 26 44.760 46.758 -1.998 1
1 314 . 5 1 1 A 26 26 GLY N N 26 109.290 109.323 -0.033 1
1 315 . 5 1 1 A 27 27 ALA H H 27 7.550 7.370 0.180 1
1 316 . 5 1 1 A 27 27 ALA HA H 27 4.370 4.270 0.100 1
1 320 . 5 1 1 A 27 27 ALA C C 27 178.430 177.157 1.273 1
1 321 . 5 1 1 A 27 27 ALA CA C 27 52.240 52.412 -0.172 1
1 322 . 5 1 1 A 27 27 ALA CB C 27 18.240 19.449 -1.209 1
1 323 . 5 1 1 A 27 27 ALA N N 27 124.840 123.121 1.719 1
1 324 . 5 1 1 A 28 28 THR H H 28 8.260 9.045 -0.785 1
1 325 . 5 1 1 A 28 28 THR HA H 28 4.230 4.440 -0.210 1
1 330 . 5 1 1 A 28 28 THR C C 28 173.830 174.586 -0.756 1
1 331 . 5 1 1 A 28 28 THR CA C 28 62.180 63.021 -0.841 1
1 332 . 5 1 1 A 28 28 THR CB C 28 69.240 69.370 -0.130 1
1 333 . 5 1 1 A 28 28 THR N N 28 112.480 116.732 -4.252 1
1 334 . 5 1 1 A 29 29 ILE H H 29 7.460 7.651 -0.191 1
1 335 . 5 1 1 A 29 29 ILE HA H 29 4.540 4.649 -0.109 1
1 345 . 5 1 1 A 29 29 ILE C C 29 173.440 174.405 -0.965 1
1 346 . 5 1 1 A 29 29 ILE CA C 29 60.540 59.334 1.206 1
1 347 . 5 1 1 A 29 29 ILE CB C 29 40.780 42.045 -1.265 1
1 351 . 5 1 1 A 29 29 ILE N N 29 118.820 120.151 -1.331 1
1 352 . 5 1 1 A 30 30 THR H H 30 9.380 8.214 1.166 1
1 353 . 5 1 1 A 30 30 THR HA H 30 4.870 4.204 0.666 1
1 358 . 5 1 1 A 30 30 THR C C 30 173.600 173.885 -0.285 1
1 359 . 5 1 1 A 30 30 THR CA C 30 64.280 63.336 0.944 1
1 360 . 5 1 1 A 30 30 THR CB C 30 69.840 69.389 0.451 1
1 361 . 5 1 1 A 30 30 THR N N 30 129.290 120.384 8.906 1
1 362 . 5 1 1 A 31 31 CYS H H 31 9.180 8.776 0.404 1
1 363 . 5 1 1 A 31 31 CYS HA H 31 5.530 5.143 0.387 1
1 366 . 5 1 1 A 31 31 CYS C C 31 174.420 174.020 0.400 1
1 367 . 5 1 1 A 31 31 CYS CA C 31 56.540 56.907 -0.367 1
1 368 . 5 1 1 A 31 31 CYS CB C 31 30.780 29.443 1.337 1
1 369 . 5 1 1 A 31 31 CYS N N 31 122.220 125.618 -3.398 1
1 370 . 5 1 1 A 32 32 VAL H H 32 9.090 8.875 0.215 1
1 371 . 5 1 1 A 32 32 VAL HA H 32 4.710 4.801 -0.091 1
1 379 . 5 1 1 A 32 32 VAL CA C 32 57.300 57.793 -0.493 1
1 380 . 5 1 1 A 32 32 VAL CB C 32 32.860 33.850 -0.990 1
1 383 . 5 1 1 A 32 32 VAL N N 32 117.890 119.123 -1.233 1
1 384 . 5 1 1 A 33 33 PRO HA H 33 4.530 5.256 -0.726 1
1 391 . 5 1 1 A 33 33 PRO C C 33 178.110 177.793 0.317 1
1 392 . 5 1 1 A 33 33 PRO CA C 33 64.140 62.535 1.605 1
1 393 . 5 1 1 A 33 33 PRO CB C 33 32.200 32.098 0.102 1
1 396 . 5 1 1 A 34 34 GLU H H 34 8.380 8.662 -0.282 1
1 397 . 5 1 1 A 34 34 GLU HA H 34 3.730 3.910 -0.180 1
1 402 . 5 1 1 A 34 34 GLU C C 34 177.830 178.279 -0.449 1
1 403 . 5 1 1 A 34 34 GLU CA C 34 59.480 59.568 -0.088 1
1 404 . 5 1 1 A 34 34 GLU CB C 34 29.860 29.250 0.610 1
1 406 . 5 1 1 A 34 34 GLU N N 34 122.200 124.585 -2.385 1
1 407 . 5 1 1 A 35 35 ALA H H 35 9.050 8.108 0.942 1
1 408 . 5 1 1 A 35 35 ALA HA H 35 4.030 4.020 0.010 1
1 412 . 5 1 1 A 35 35 ALA C C 35 180.250 179.066 1.184 1
1 413 . 5 1 1 A 35 35 ALA CA C 35 54.850 54.803 0.047 1
1 414 . 5 1 1 A 35 35 ALA CB C 35 18.160 18.545 -0.385 1
1 415 . 5 1 1 A 35 35 ALA N N 35 123.090 122.012 1.078 1
1 416 . 5 1 1 A 36 36 PHE H H 36 7.510 8.249 -0.739 1
1 417 . 5 1 1 A 36 36 PHE HA H 36 4.370 4.409 -0.039 1
1 425 . 5 1 1 A 36 36 PHE C C 36 174.870 177.038 -2.168 1
1 426 . 5 1 1 A 36 36 PHE CA C 36 60.160 59.536 0.624 1
1 427 . 5 1 1 A 36 36 PHE CB C 36 38.930 39.051 -0.121 1
1 433 . 5 1 1 A 36 36 PHE N N 36 112.030 115.074 -3.044 1
1 434 . 5 1 1 A 37 37 LEU H H 37 7.640 8.262 -0.622 1
1 435 . 5 1 1 A 37 37 LEU HA H 37 4.230 4.452 -0.222 1
1 445 . 5 1 1 A 37 37 LEU C C 37 177.380 177.354 0.026 1
1 446 . 5 1 1 A 37 37 LEU CA C 37 53.080 54.532 -1.452 1
1 447 . 5 1 1 A 37 37 LEU CB C 37 41.050 42.153 -1.103 1
1 451 . 5 1 1 A 37 37 LEU N N 37 116.800 117.944 -1.144 1
1 452 . 5 1 1 A 38 38 GLU H H 38 7.050 7.499 -0.449 1
1 453 . 5 1 1 A 38 38 GLU HA H 38 3.980 4.088 -0.108 1
1 458 . 5 1 1 A 38 38 GLU C C 38 176.630 176.897 -0.267 1
1 459 . 5 1 1 A 38 38 GLU CA C 38 59.250 59.534 -0.284 1
1 460 . 5 1 1 A 38 38 GLU CB C 38 29.870 29.594 0.276 1
1 462 . 5 1 1 A 38 38 GLU N N 38 121.260 120.247 1.013 1
1 463 . 5 1 1 A 39 39 ASP H H 39 8.690 7.774 0.916 1
1 464 . 5 1 1 A 39 39 ASP HA H 39 4.700 4.907 -0.207 1
1 467 . 5 1 1 A 39 39 ASP C C 39 175.570 175.172 0.398 1
1 468 . 5 1 1 A 39 39 ASP CA C 39 53.760 53.939 -0.179 1
1 469 . 5 1 1 A 39 39 ASP CB C 39 40.010 42.067 -2.057 1
1 470 . 5 1 1 A 39 39 ASP N N 39 115.590 117.402 -1.812 1
1 471 . 5 1 1 A 40 40 GLU H H 40 7.460 8.322 -0.862 1
1 472 . 5 1 1 A 40 40 GLU HA H 40 4.720 4.938 -0.218 1
1 477 . 5 1 1 A 40 40 GLU C C 40 175.660 175.269 0.391 1
1 478 . 5 1 1 A 40 40 GLU CA C 40 54.240 54.841 -0.601 1
1 479 . 5 1 1 A 40 40 GLU CB C 40 31.240 31.361 -0.121 1
1 481 . 5 1 1 A 40 40 GLU N N 40 118.210 117.822 0.388 1
1 482 . 5 1 1 A 41 41 ARG H H 41 9.130 9.076 0.054 1
1 483 . 5 1 1 A 41 41 ARG HA H 41 5.080 5.004 0.076 1
1 490 . 5 1 1 A 41 41 ARG CA C 41 52.540 52.942 -0.402 1
1 491 . 5 1 1 A 41 41 ARG CB C 41 31.240 33.949 -2.709 1
1 494 . 5 1 1 A 41 41 ARG N N 41 121.830 122.578 -0.748 1
1 495 . 5 1 1 A 42 42 PRO HA H 42 3.840 4.144 -0.304 1
1 502 . 5 1 1 A 42 42 PRO C C 42 177.180 177.056 0.124 1
1 503 . 5 1 1 A 42 42 PRO CA C 42 63.010 61.931 1.079 1
1 504 . 5 1 1 A 42 42 PRO CB C 42 32.490 31.420 1.070 1
1 507 . 5 1 1 A 43 43 ILE H H 43 9.110 8.250 0.860 1
1 508 . 5 1 1 A 43 43 ILE HA H 43 4.410 4.202 0.208 1
1 518 . 5 1 1 A 43 43 ILE C C 43 176.220 175.889 0.331 1
1 519 . 5 1 1 A 43 43 ILE CA C 43 61.480 61.692 -0.212 1
1 520 . 5 1 1 A 43 43 ILE CB C 43 39.510 38.699 0.811 1
1 524 . 5 1 1 A 43 43 ILE N N 43 115.610 117.935 -2.325 1
1 525 . 5 1 1 A 44 44 GLN H H 44 7.750 7.570 0.180 1
1 526 . 5 1 1 A 44 44 GLN HA H 44 4.610 4.785 -0.175 1
1 533 . 5 1 1 A 44 44 GLN C C 44 173.610 174.224 -0.614 1
1 534 . 5 1 1 A 44 44 GLN CA C 44 55.140 54.013 1.127 1
1 535 . 5 1 1 A 44 44 GLN CB C 44 31.460 33.690 -2.230 1
1 537 . 5 1 1 A 44 44 GLN N N 44 118.360 119.770 -1.410 1
1 539 . 5 1 1 A 45 45 THR H H 45 8.560 8.687 -0.127 1
1 540 . 5 1 1 A 45 45 THR HA H 45 5.140 5.040 0.100 1
1 545 . 5 1 1 A 45 45 THR C C 45 177.830 172.806 5.024 1
1 546 . 5 1 1 A 45 45 THR CA C 45 61.450 60.023 1.427 1
1 547 . 5 1 1 A 45 45 THR CB C 45 71.380 71.743 -0.363 1
1 549 . 5 1 1 A 45 45 THR N N 45 115.470 112.732 2.738 1
1 550 . 5 1 1 A 46 46 MET H H 46 9.100 9.518 -0.418 1
1 551 . 5 1 1 A 46 46 MET HA H 46 4.730 5.214 -0.484 1
1 556 . 5 1 1 A 46 46 MET C C 46 173.520 174.144 -0.624 1
1 557 . 5 1 1 A 46 46 MET CA C 46 54.560 54.478 0.082 1
1 558 . 5 1 1 A 46 46 MET CB C 46 36.500 36.071 0.429 1
1 560 . 5 1 1 A 46 46 MET N N 46 123.160 122.322 0.838 1
1 561 . 5 1 1 A 47 47 LEU H H 47 8.490 8.741 -0.251 1
1 562 . 5 1 1 A 47 47 LEU HA H 47 4.730 5.226 -0.496 1
1 572 . 5 1 1 A 47 47 LEU C C 47 176.210 176.365 -0.155 1
1 573 . 5 1 1 A 47 47 LEU CA C 47 54.440 53.503 0.937 1
1 574 . 5 1 1 A 47 47 LEU CB C 47 42.540 43.258 -0.718 1
1 578 . 5 1 1 A 47 47 LEU N N 47 124.300 125.419 -1.119 1
1 579 . 5 1 1 A 48 48 ILE H H 48 8.990 9.439 -0.449 1
1 580 . 5 1 1 A 48 48 ILE HA H 48 4.430 4.979 -0.549 1
1 590 . 5 1 1 A 48 48 ILE C C 48 175.040 174.666 0.374 1
1 591 . 5 1 1 A 48 48 ILE CA C 48 59.150 59.943 -0.793 1
1 592 . 5 1 1 A 48 48 ILE CB C 48 39.910 41.019 -1.109 1
1 596 . 5 1 1 A 48 48 ILE N N 48 125.760 124.060 1.700 1
1 597 . 5 1 1 A 49 49 LYS H H 49 8.710 8.958 -0.248 1
1 598 . 5 1 1 A 49 49 LYS HA H 49 4.550 5.004 -0.454 1
1 607 . 5 1 1 A 49 49 LYS C C 49 176.060 175.931 0.129 1
1 608 . 5 1 1 A 49 49 LYS CA C 49 56.570 55.013 1.557 1
1 609 . 5 1 1 A 49 49 LYS CB C 49 33.010 35.397 -2.387 1
1 613 . 5 1 1 A 49 49 LYS N N 49 126.480 126.467 0.013 1
1 614 . 5 1 1 A 50 50 THR H H 50 8.150 9.051 -0.901 1
1 615 . 5 1 1 A 50 50 THR HA H 50 4.860 5.081 -0.221 1
1 620 . 5 1 1 A 50 50 THR CA C 50 60.030 59.132 0.898 1
1 621 . 5 1 1 A 50 50 THR CB C 50 72.820 71.971 0.849 1
1 623 . 5 1 1 A 50 50 THR N N 50 116.220 114.085 2.135 1
1 624 . 5 1 1 A 51 51 ILE HA H 51 4.400 3.859 0.541 1
1 634 . 5 1 1 A 51 51 ILE C C 51 176.140 177.638 -1.498 1
1 635 . 5 1 1 A 51 51 ILE CA C 51 63.450 64.675 -1.225 1
1 636 . 5 1 1 A 51 51 ILE CB C 51 37.970 37.582 0.388 1
1 640 . 5 1 1 A 52 52 HIS H H 52 7.820 7.919 -0.099 1
1 641 . 5 1 1 A 52 52 HIS HA H 52 4.830 4.288 0.542 1
1 644 . 5 1 1 A 52 52 HIS C C 52 175.190 175.319 -0.129 1
1 645 . 5 1 1 A 52 52 HIS CA C 52 55.670 58.529 -2.859 1
1 646 . 5 1 1 A 52 52 HIS CB C 52 31.260 29.966 1.294 1
1 647 . 5 1 1 A 52 52 HIS N N 52 118.280 118.700 -0.420 1
1 648 . 5 1 1 A 53 53 GLY H H 53 7.590 7.338 0.252 1
1 649 . 5 1 1 A 53 53 GLY HA2 H 53 3.880 4.003 -0.123 1
1 650 . 5 1 1 A 53 53 GLY HA3 H 53 4.510 4.017 0.493 1
1 651 . 5 1 1 A 53 53 GLY C C 53 173.360 171.563 1.797 1
1 652 . 5 1 1 A 53 53 GLY CA C 53 44.510 45.852 -1.342 1
1 653 . 5 1 1 A 53 53 GLY N N 53 108.490 103.754 4.736 1
1 654 . 5 1 1 A 54 54 GLU H H 54 8.710 8.514 0.196 1
1 655 . 5 1 1 A 54 54 GLU HA H 54 5.050 4.746 0.304 1
1 660 . 5 1 1 A 54 54 GLU C C 54 175.890 175.037 0.853 1
1 661 . 5 1 1 A 54 54 GLU CA C 54 55.980 55.857 0.123 1
1 662 . 5 1 1 A 54 54 GLU CB C 54 31.610 31.070 0.540 1
1 664 . 5 1 1 A 54 54 GLU N N 54 121.850 120.633 1.217 1
1 665 . 5 1 1 A 55 55 LYS H H 55 8.930 9.555 -0.625 1
1 666 . 5 1 1 A 55 55 LYS HA H 55 4.670 5.272 -0.602 1
1 675 . 5 1 1 A 55 55 LYS C C 55 174.630 174.734 -0.104 1
1 676 . 5 1 1 A 55 55 LYS CA C 55 54.750 54.777 -0.027 1
1 677 . 5 1 1 A 55 55 LYS CB C 55 35.910 36.348 -0.438 1
1 681 . 5 1 1 A 55 55 LYS N N 55 123.380 123.730 -0.350 1
1 682 . 5 1 1 A 56 56 GLN H H 56 8.670 8.819 -0.149 1
1 683 . 5 1 1 A 56 56 GLN HA H 56 4.820 5.090 -0.270 1
1 688 . 5 1 1 A 56 56 GLN C C 56 175.780 175.096 0.684 1
1 689 . 5 1 1 A 56 56 GLN CA C 56 55.500 54.295 1.205 1
1 690 . 5 1 1 A 56 56 GLN CB C 56 29.470 31.809 -2.339 1
1 692 . 5 1 1 A 56 56 GLN N N 56 122.950 125.345 -2.395 1
1 693 . 5 1 1 A 57 57 GLN H H 57 9.210 9.021 0.189 1
1 694 . 5 1 1 A 57 57 GLN HA H 57 4.740 5.051 -0.311 1
1 701 . 5 1 1 A 57 57 GLN C C 57 174.100 174.358 -0.258 1
1 702 . 5 1 1 A 57 57 GLN CA C 57 54.760 54.662 0.098 1
1 703 . 5 1 1 A 57 57 GLN CB C 57 32.670 32.537 0.133 1
1 705 . 5 1 1 A 57 57 GLN N N 57 125.030 122.283 2.747 1
1 707 . 5 1 1 A 58 58 ASP H H 58 8.570 8.705 -0.135 1
1 708 . 5 1 1 A 58 58 ASP HA H 58 4.860 5.131 -0.271 1
1 711 . 5 1 1 A 58 58 ASP C C 58 173.690 176.675 -2.985 1
1 712 . 5 1 1 A 58 58 ASP CA C 58 55.090 53.848 1.242 1
1 713 . 5 1 1 A 58 58 ASP CB C 58 42.120 42.747 -0.627 1
1 714 . 5 1 1 A 58 58 ASP N N 58 124.680 121.532 3.148 1
1 715 . 5 1 1 A 59 59 VAL H H 59 8.480 8.905 -0.425 1
1 716 . 5 1 1 A 59 59 VAL HA H 59 4.610 4.598 0.012 1
1 724 . 5 1 1 A 59 59 VAL C C 59 174.600 175.329 -0.729 1
1 725 . 5 1 1 A 59 59 VAL CA C 59 61.130 61.695 -0.565 1
1 726 . 5 1 1 A 59 59 VAL CB C 59 34.250 32.648 1.602 1
1 729 . 5 1 1 A 59 59 VAL N N 59 121.270 122.843 -1.573 1
1 730 . 5 1 1 A 60 60 TYR H H 60 9.390 8.842 0.548 1
1 731 . 5 1 1 A 60 60 TYR HA H 60 4.800 5.056 -0.256 1
1 738 . 5 1 1 A 60 60 TYR C C 60 173.840 174.180 -0.340 1
1 739 . 5 1 1 A 60 60 TYR CA C 60 56.840 56.814 0.026 1
1 740 . 5 1 1 A 60 60 TYR CB C 60 41.190 41.973 -0.783 1
1 745 . 5 1 1 A 60 60 TYR N N 60 125.760 123.129 2.631 1
1 746 . 5 1 1 A 61 61 TYR H H 61 9.300 9.049 0.251 1
1 747 . 5 1 1 A 61 61 TYR HA H 61 5.370 5.065 0.305 1
1 754 . 5 1 1 A 61 61 TYR C C 61 174.300 174.389 -0.089 1
1 755 . 5 1 1 A 61 61 TYR CA C 61 57.490 57.165 0.325 1
1 756 . 5 1 1 A 61 61 TYR CB C 61 40.900 39.638 1.262 1
1 761 . 5 1 1 A 61 61 TYR N N 61 122.890 125.731 -2.841 1
1 762 . 5 1 1 A 62 62 LEU H H 62 8.770 8.819 -0.049 1
1 763 . 5 1 1 A 62 62 LEU HA H 62 4.780 5.101 -0.321 1
1 773 . 5 1 1 A 62 62 LEU C C 62 174.070 175.825 -1.755 1
1 774 . 5 1 1 A 62 62 LEU CA C 62 53.760 53.283 0.477 1
1 775 . 5 1 1 A 62 62 LEU CB C 62 49.020 45.855 3.165 1
1 779 . 5 1 1 A 62 62 LEU N N 62 129.700 128.956 0.744 1
1 780 . 5 1 1 A 63 63 THR H H 63 7.960 8.664 -0.704 1
1 781 . 5 1 1 A 63 63 THR HA H 63 5.410 5.032 0.378 1
1 786 . 5 1 1 A 63 63 THR C C 63 173.860 173.962 -0.102 1
1 787 . 5 1 1 A 63 63 THR CA C 63 60.850 61.141 -0.291 1
1 788 . 5 1 1 A 63 63 THR CB C 63 69.790 70.819 -1.029 1
1 790 . 5 1 1 A 63 63 THR N N 63 118.460 115.817 2.643 1
1 791 . 5 1 1 A 64 64 PHE H H 64 9.270 8.455 0.815 1
1 792 . 5 1 1 A 64 64 PHE HA H 64 5.100 5.522 -0.422 1
1 800 . 5 1 1 A 64 64 PHE C C 64 172.280 172.752 -0.472 1
1 801 . 5 1 1 A 64 64 PHE CA C 64 56.020 55.146 0.874 1
1 802 . 5 1 1 A 64 64 PHE CB C 64 38.350 42.252 -3.902 1
1 808 . 5 1 1 A 64 64 PHE N N 64 123.960 122.764 1.196 1
1 809 . 5 1 1 A 65 65 LYS H H 65 8.750 8.697 0.053 1
1 810 . 5 1 1 A 65 65 LYS HA H 65 5.500 5.053 0.447 1
1 819 . 5 1 1 A 65 65 LYS C C 65 176.300 176.006 0.294 1
1 820 . 5 1 1 A 65 65 LYS CA C 65 54.900 56.167 -1.267 1
1 821 . 5 1 1 A 65 65 LYS CB C 65 37.730 33.612 4.118 1
1 825 . 5 1 1 A 65 65 LYS N N 65 117.930 120.051 -2.121 1
1 826 . 5 1 1 A 66 66 VAL H H 66 8.840 9.697 -0.857 1
1 827 . 5 1 1 A 66 66 VAL HA H 66 4.520 4.635 -0.115 1
1 835 . 5 1 1 A 66 66 VAL C C 66 175.550 176.023 -0.473 1
1 836 . 5 1 1 A 66 66 VAL CA C 66 62.130 61.320 0.810 1
1 837 . 5 1 1 A 66 66 VAL CB C 66 35.100 32.208 2.892 1
1 840 . 5 1 1 A 66 66 VAL N N 66 119.330 124.822 -5.492 1
1 841 . 5 1 1 A 67 67 GLN H H 67 9.690 9.304 0.386 1
1 842 . 5 1 1 A 67 67 GLN HA H 67 4.050 4.088 -0.038 1
1 849 . 5 1 1 A 67 67 GLN C C 67 176.300 176.248 0.052 1
1 850 . 5 1 1 A 67 67 GLN CA C 67 56.720 57.172 -0.452 1
1 851 . 5 1 1 A 67 67 GLN CB C 67 28.230 26.765 1.465 1
1 853 . 5 1 1 A 67 67 GLN N N 67 125.930 128.670 -2.740 1
1 855 . 5 1 1 A 68 68 GLY H H 68 8.980 8.684 0.296 1
1 856 . 5 1 1 A 68 68 GLY HA2 H 68 3.510 3.833 -0.323 1
1 857 . 5 1 1 A 68 68 GLY HA3 H 68 4.140 3.841 0.299 1
1 858 . 5 1 1 A 68 68 GLY C C 68 173.410 173.803 -0.393 1
1 859 . 5 1 1 A 68 68 GLY CA C 68 45.460 45.703 -0.243 1
1 860 . 5 1 1 A 68 68 GLY N N 68 103.510 104.652 -1.142 1
1 861 . 5 1 1 A 69 69 ARG H H 69 8.070 7.826 0.244 1
1 862 . 5 1 1 A 69 69 ARG HA H 69 4.400 4.581 -0.181 1
1 869 . 5 1 1 A 69 69 ARG C C 69 174.880 174.624 0.256 1
1 870 . 5 1 1 A 69 69 ARG CA C 69 54.730 54.291 0.439 1
1 871 . 5 1 1 A 69 69 ARG CB C 69 31.520 32.474 -0.954 1
1 874 . 5 1 1 A 69 69 ARG N N 69 122.680 119.902 2.778 1
1 875 . 5 1 1 A 70 70 LYS H H 70 8.390 8.620 -0.230 1
1 876 . 5 1 1 A 70 70 LYS HA H 70 4.220 4.408 -0.188 1
1 885 . 5 1 1 A 70 70 LYS C C 70 175.330 174.874 0.456 1
1 886 . 5 1 1 A 70 70 LYS CA C 70 57.860 56.609 1.251 1
1 887 . 5 1 1 A 70 70 LYS CB C 70 32.790 32.730 0.060 1
1 891 . 5 1 1 A 70 70 LYS N N 70 123.590 126.407 -2.817 1
1 892 . 5 1 1 A 71 71 VAL H H 71 9.050 8.281 0.769 1
1 893 . 5 1 1 A 71 71 VAL HA H 71 4.140 4.586 -0.446 1
1 901 . 5 1 1 A 71 71 VAL C C 71 173.310 174.139 -0.829 1
1 902 . 5 1 1 A 71 71 VAL CA C 71 61.370 60.424 0.946 1
1 903 . 5 1 1 A 71 71 VAL CB C 71 34.610 35.456 -0.846 1
1 906 . 5 1 1 A 71 71 VAL N N 71 128.340 126.956 1.384 1
1 907 . 5 1 1 A 72 72 GLU H H 72 8.150 8.636 -0.486 1
1 908 . 5 1 1 A 72 72 GLU HA H 72 4.970 4.941 0.029 1
1 913 . 5 1 1 A 72 72 GLU C C 72 174.910 175.517 -0.607 1
1 914 . 5 1 1 A 72 72 GLU CA C 72 54.490 54.934 -0.444 1
1 915 . 5 1 1 A 72 72 GLU CB C 72 31.410 32.245 -0.835 1
1 917 . 5 1 1 A 72 72 GLU N N 72 124.430 125.365 -0.935 1
1 918 . 5 1 1 A 73 73 ALA H H 73 8.420 8.069 0.351 1
1 919 . 5 1 1 A 73 73 ALA HA H 73 4.770 4.687 0.083 1
1 923 . 5 1 1 A 73 73 ALA C C 73 175.140 175.957 -0.817 1
1 924 . 5 1 1 A 73 73 ALA CA C 73 51.050 50.865 0.185 1
1 925 . 5 1 1 A 73 73 ALA CB C 73 23.060 23.197 -0.137 1
1 926 . 5 1 1 A 73 73 ALA N N 73 124.790 122.811 1.979 1
1 927 . 5 1 1 A 74 74 GLU H H 74 8.520 8.507 0.013 1
1 928 . 5 1 1 A 74 74 GLU HA H 74 5.260 5.092 0.168 1
1 933 . 5 1 1 A 74 74 GLU C C 74 176.570 176.474 0.096 1
1 934 . 5 1 1 A 74 74 GLU CA C 74 55.770 57.007 -1.237 1
1 935 . 5 1 1 A 74 74 GLU CB C 74 29.840 30.286 -0.446 1
1 937 . 5 1 1 A 74 74 GLU N N 74 120.480 119.295 1.185 1
1 938 . 5 1 1 A 75 75 VAL H H 75 9.240 9.990 -0.750 1
1 939 . 5 1 1 A 75 75 VAL HA H 75 5.730 5.403 0.327 1
1 947 . 5 1 1 A 75 75 VAL C C 75 174.700 173.572 1.128 1
1 948 . 5 1 1 A 75 75 VAL CA C 75 57.950 59.076 -1.126 1
1 949 . 5 1 1 A 75 75 VAL CB C 75 36.540 35.615 0.925 1
1 952 . 5 1 1 A 75 75 VAL N N 75 113.070 118.858 -5.788 1
1 953 . 5 1 1 A 76 76 LEU H H 76 8.420 8.579 -0.159 1
1 954 . 5 1 1 A 76 76 LEU HA H 76 5.110 5.113 -0.003 1
1 964 . 5 1 1 A 76 76 LEU C C 76 176.970 175.759 1.211 1
1 965 . 5 1 1 A 76 76 LEU CA C 76 52.370 53.145 -0.775 1
1 966 . 5 1 1 A 76 76 LEU CB C 76 45.230 45.210 0.020 1
1 970 . 5 1 1 A 76 76 LEU N N 76 117.790 124.829 -7.039 1
1 971 . 5 1 1 A 77 77 ALA H H 77 8.930 8.572 0.358 1
1 972 . 5 1 1 A 77 77 ALA HA H 77 4.500 4.799 -0.299 1
1 976 . 5 1 1 A 77 77 ALA C C 77 177.950 176.811 1.139 1
1 977 . 5 1 1 A 77 77 ALA CA C 77 52.090 51.656 0.434 1
1 978 . 5 1 1 A 77 77 ALA CB C 77 20.280 19.523 0.757 1
1 979 . 5 1 1 A 77 77 ALA N N 77 122.210 128.331 -6.121 1
1 980 . 5 1 1 A 78 78 SER H H 78 8.380 8.798 -0.418 1
1 981 . 5 1 1 A 78 78 SER HA H 78 5.010 4.926 0.084 1
1 984 . 5 1 1 A 78 78 SER CA C 78 54.230 54.808 -0.578 1
1 985 . 5 1 1 A 78 78 SER CB C 78 66.050 65.667 0.383 1
1 986 . 5 1 1 A 78 78 SER N N 78 117.830 117.704 0.126 1
1 987 . 5 1 1 A 79 79 PRO HA H 79 4.660 4.453 0.207 1
1 994 . 5 1 1 A 79 79 PRO C C 79 176.150 175.936 0.214 1
1 995 . 5 1 1 A 79 79 PRO CA C 79 62.860 63.385 -0.525 1
1 996 . 5 1 1 A 79 79 PRO CB C 79 31.230 31.555 -0.325 1
1 999 . 5 1 1 A 80 80 TYR H H 80 7.380 7.286 0.094 1
1 1000 . 5 1 1 A 80 80 TYR HA H 80 4.710 4.702 0.008 1
1 1007 . 5 1 1 A 80 80 TYR C C 80 175.550 175.453 0.097 1
1 1008 . 5 1 1 A 80 80 TYR CA C 80 56.150 57.659 -1.509 1
1 1009 . 5 1 1 A 80 80 TYR CB C 80 38.490 39.354 -0.864 1
1 1014 . 5 1 1 A 80 80 TYR N N 80 120.860 120.303 0.557 1
1 1015 . 5 1 1 A 81 81 ASP H H 81 8.290 9.476 -1.186 1
1 1016 . 5 1 1 A 81 81 ASP HA H 81 4.640 5.011 -0.371 1
1 1019 . 5 1 1 A 81 81 ASP C C 81 175.290 175.204 0.086 1
1 1020 . 5 1 1 A 81 81 ASP CA C 81 53.560 54.179 -0.619 1
1 1021 . 5 1 1 A 81 81 ASP CB C 81 40.650 41.901 -1.251 1
1 1022 . 5 1 1 A 81 81 ASP N N 81 115.600 120.470 -4.870 1
1 1023 . 5 1 1 A 82 82 TYR H H 82 6.680 7.605 -0.925 1
1 1024 . 5 1 1 A 82 82 TYR HA H 82 5.160 5.144 0.016 1
1 1031 . 5 1 1 A 82 82 TYR C C 82 173.930 172.982 0.948 1
1 1032 . 5 1 1 A 82 82 TYR CA C 82 53.190 55.889 -2.699 1
1 1033 . 5 1 1 A 82 82 TYR CB C 82 40.820 41.561 -0.741 1
1 1038 . 5 1 1 A 82 82 TYR N N 82 116.100 116.446 -0.346 1
1 1039 . 5 1 1 A 83 83 ILE H H 83 8.900 8.663 0.237 1
1 1040 . 5 1 1 A 83 83 ILE HA H 83 4.480 4.518 -0.038 1
1 1050 . 5 1 1 A 83 83 ILE C C 83 175.160 174.657 0.503 1
1 1051 . 5 1 1 A 83 83 ILE CA C 83 60.940 59.413 1.527 1
1 1052 . 5 1 1 A 83 83 ILE CB C 83 40.980 41.873 -0.893 1
1 1056 . 5 1 1 A 83 83 ILE N N 83 119.050 119.077 -0.027 1
1 1057 . 5 1 1 A 84 84 LEU H H 84 8.740 9.739 -0.999 1
1 1058 . 5 1 1 A 84 84 LEU HA H 84 5.140 5.292 -0.152 1
1 1068 . 5 1 1 A 84 84 LEU C C 84 174.920 175.750 -0.830 1
1 1069 . 5 1 1 A 84 84 LEU CA C 84 53.800 53.417 0.383 1
1 1070 . 5 1 1 A 84 84 LEU CB C 84 44.100 42.973 1.127 1
1 1074 . 5 1 1 A 84 84 LEU N N 84 130.660 126.619 4.041 1
1 1075 . 5 1 1 A 85 85 LEU H H 85 9.010 8.822 0.188 1
1 1076 . 5 1 1 A 85 85 LEU HA H 85 4.470 4.839 -0.369 1
1 1086 . 5 1 1 A 85 85 LEU C C 85 174.660 175.755 -1.095 1
1 1087 . 5 1 1 A 85 85 LEU CA C 85 54.080 53.374 0.706 1
1 1088 . 5 1 1 A 85 85 LEU CB C 85 44.350 44.314 0.036 1
1 1092 . 5 1 1 A 85 85 LEU N N 85 125.210 124.190 1.020 1
1 1093 . 5 1 1 A 86 86 ASN H H 86 8.370 8.575 -0.205 1
1 1094 . 5 1 1 A 86 86 ASN HA H 86 4.680 4.943 -0.263 1
1 1099 . 5 1 1 A 86 86 ASN CA C 86 49.780 49.788 -0.008 1
1 1100 . 5 1 1 A 86 86 ASN CB C 86 38.890 40.445 -1.555 1
1 1101 . 5 1 1 A 86 86 ASN N N 86 122.970 121.805 1.165 1
1 1103 . 5 1 1 A 87 87 PRO HA H 87 3.600 4.535 -0.935 1
1 1110 . 5 1 1 A 87 87 PRO C C 87 178.740 177.829 0.911 1
1 1111 . 5 1 1 A 87 87 PRO CA C 87 65.050 64.838 0.212 1
1 1112 . 5 1 1 A 87 87 PRO CB C 87 33.160 32.171 0.989 1
1 1115 . 5 1 1 A 88 88 SER H H 88 7.580 9.213 -1.633 1
1 1116 . 5 1 1 A 88 88 SER HA H 88 4.100 4.332 -0.232 1
1 1119 . 5 1 1 A 88 88 SER C C 88 175.480 176.011 -0.531 1
1 1120 . 5 1 1 A 88 88 SER CA C 88 60.730 60.294 0.436 1
1 1121 . 5 1 1 A 88 88 SER CB C 88 62.870 63.130 -0.260 1
1 1122 . 5 1 1 A 88 88 SER N N 88 109.530 112.196 -2.666 1
1 1123 . 5 1 1 A 89 89 ASP H H 89 8.170 8.033 0.137 1
1 1124 . 5 1 1 A 89 89 ASP HA H 89 4.770 4.603 0.167 1
1 1127 . 5 1 1 A 89 89 ASP C C 89 175.730 176.993 -1.263 1
1 1128 . 5 1 1 A 89 89 ASP CA C 89 56.030 56.643 -0.613 1
1 1129 . 5 1 1 A 89 89 ASP CB C 89 41.380 41.465 -0.085 1
1 1130 . 5 1 1 A 89 89 ASP N N 89 118.600 119.807 -1.207 1
1 1131 . 5 1 1 A 90 90 VAL H H 90 7.050 7.373 -0.323 1
1 1132 . 5 1 1 A 90 90 VAL HA H 90 4.050 3.103 0.947 1
1 1140 . 5 1 1 A 90 90 VAL CA C 90 56.960 58.450 -1.490 1
1 1141 . 5 1 1 A 90 90 VAL CB C 90 31.710 31.171 0.539 1
1 1144 . 5 1 1 A 90 90 VAL N N 90 109.580 112.637 -3.057 1
1 1145 . 5 1 1 A 91 91 PRO HA H 91 4.250 4.379 -0.129 1
1 1152 . 5 1 1 A 91 91 PRO C C 91 176.870 177.872 -1.002 1
1 1153 . 5 1 1 A 91 91 PRO CA C 91 65.190 64.490 0.700 1
1 1154 . 5 1 1 A 91 91 PRO CB C 91 31.470 31.852 -0.382 1
1 1157 . 5 1 1 A 92 92 TRP H H 92 6.720 7.949 -1.229 1
1 1158 . 5 1 1 A 92 92 TRP HA H 92 4.570 4.460 0.110 1
1 1167 . 5 1 1 A 92 92 TRP C C 92 176.630 178.135 -1.505 1
1 1168 . 5 1 1 A 92 92 TRP CA C 92 56.910 59.853 -2.943 1
1 1169 . 5 1 1 A 92 92 TRP CB C 92 27.990 28.196 -0.206 1
1 1175 . 5 1 1 A 92 92 TRP N N 92 115.110 117.743 -2.633 1
1 1177 . 5 1 1 A 93 93 LEU H H 93 7.150 7.212 -0.062 1
1 1178 . 5 1 1 A 93 93 LEU HA H 93 4.220 4.057 0.163 1
1 1188 . 5 1 1 A 93 93 LEU C C 93 176.210 176.097 0.113 1
1 1189 . 5 1 1 A 93 93 LEU CA C 93 55.350 57.752 -2.402 1
1 1190 . 5 1 1 A 93 93 LEU CB C 93 42.190 41.824 0.366 1
1 1194 . 5 1 1 A 93 93 LEU N N 93 123.090 123.264 -0.174 1
1 1195 . 5 1 1 A 94 94 MET H H 94 7.730 7.623 0.107 1
1 1196 . 5 1 1 A 94 94 MET HA H 94 4.340 4.555 -0.215 1
1 1201 . 5 1 1 A 94 94 MET C C 94 175.550 175.509 0.041 1
1 1202 . 5 1 1 A 94 94 MET CA C 94 55.120 53.681 1.439 1
1 1203 . 5 1 1 A 94 94 MET CB C 94 32.630 33.498 -0.868 1
1 1205 . 5 1 1 A 94 94 MET N N 94 118.250 117.264 0.986 1
1 1206 . 5 1 1 A 95 95 LYS H H 95 7.950 8.354 -0.404 1
1 1207 . 5 1 1 A 95 95 LYS HA H 95 4.260 4.623 -0.363 1
1 1210 . 5 1 1 A 95 95 LYS C C 95 176.130 176.034 0.096 1
1 1211 . 5 1 1 A 95 95 LYS CA C 95 56.150 54.964 1.186 1
1 1212 . 5 1 1 A 95 95 LYS CB C 95 33.010 34.111 -1.101 1
1 1213 . 5 1 1 A 95 95 LYS N N 95 121.650 122.598 -0.948 1
1 1214 . 5 1 1 A 96 96 LYS H H 96 8.260 8.545 -0.285 1
1 1215 . 5 1 1 A 96 96 LYS N N 96 123.570 123.610 -0.040 1
1 1216 . 5 1 1 A 97 97 PRO HA H 97 4.530 4.605 -0.075 1
1 1219 . 5 1 1 A 97 97 PRO C C 97 176.830 176.274 0.556 1
1 1220 . 5 1 1 A 97 97 PRO CA C 97 63.180 62.590 0.590 1
1 1221 . 5 1 1 A 97 97 PRO CB C 97 32.050 32.346 -0.296 1
1 88 . 6 1 1 A 9 9 PRO HA H 9 4.410 4.349 0.061 1
1 95 . 6 1 1 A 9 9 PRO C C 9 176.460 176.917 -0.457 1
1 96 . 6 1 1 A 9 9 PRO CA C 9 63.030 62.419 0.611 1
1 97 . 6 1 1 A 9 9 PRO CB C 9 32.210 31.598 0.612 1
1 100 . 6 1 1 A 10 10 LEU H H 10 9.190 8.784 0.406 1
1 101 . 6 1 1 A 10 10 LEU HA H 10 4.640 4.617 0.023 1
1 111 . 6 1 1 A 10 10 LEU C C 10 176.620 176.058 0.562 1
1 112 . 6 1 1 A 10 10 LEU CA C 10 53.420 53.910 -0.490 1
1 113 . 6 1 1 A 10 10 LEU CB C 10 44.290 42.735 1.555 1
1 117 . 6 1 1 A 10 10 LEU N N 10 123.060 122.838 0.222 1
1 118 . 6 1 1 A 11 11 GLU H H 11 8.720 8.383 0.337 1
1 119 . 6 1 1 A 11 11 GLU HA H 11 4.490 5.066 -0.576 1
1 124 . 6 1 1 A 11 11 GLU C C 11 176.620 175.688 0.932 1
1 125 . 6 1 1 A 11 11 GLU CA C 11 57.060 54.855 2.205 1
1 126 . 6 1 1 A 11 11 GLU CB C 11 30.820 32.984 -2.164 1
1 128 . 6 1 1 A 11 11 GLU N N 11 121.330 118.806 2.524 1
1 129 . 6 1 1 A 12 12 ALA H H 12 8.760 8.680 0.080 1
1 130 . 6 1 1 A 12 12 ALA HA H 12 5.390 5.416 -0.026 1
1 134 . 6 1 1 A 12 12 ALA C C 12 176.040 175.712 0.328 1
1 135 . 6 1 1 A 12 12 ALA CA C 12 50.350 51.076 -0.726 1
1 136 . 6 1 1 A 12 12 ALA CB C 12 24.490 23.799 0.691 1
1 137 . 6 1 1 A 12 12 ALA N N 12 127.010 123.764 3.246 1
1 138 . 6 1 1 A 13 13 GLU H H 13 8.850 9.188 -0.338 1
1 139 . 6 1 1 A 13 13 GLU HA H 13 5.240 5.602 -0.362 1
1 144 . 6 1 1 A 13 13 GLU C C 13 175.320 175.409 -0.089 1
1 145 . 6 1 1 A 13 13 GLU CA C 13 55.580 54.996 0.584 1
1 146 . 6 1 1 A 13 13 GLU CB C 13 34.410 32.123 2.287 1
1 148 . 6 1 1 A 13 13 GLU N N 13 119.980 120.057 -0.077 1
1 149 . 6 1 1 A 14 14 ILE H H 14 8.420 8.742 -0.322 1
1 150 . 6 1 1 A 14 14 ILE HA H 14 4.210 4.578 -0.368 1
1 160 . 6 1 1 A 14 14 ILE C C 14 174.520 176.426 -1.906 1
1 161 . 6 1 1 A 14 14 ILE CA C 14 61.000 59.902 1.098 1
1 162 . 6 1 1 A 14 14 ILE CB C 14 40.430 39.369 1.061 1
1 166 . 6 1 1 A 14 14 ILE N N 14 123.990 125.043 -1.053 1
1 167 . 6 1 1 A 15 15 LYS H H 15 9.590 9.368 0.222 1
1 168 . 6 1 1 A 15 15 LYS HA H 15 3.880 4.057 -0.177 1
1 177 . 6 1 1 A 15 15 LYS C C 15 176.880 175.797 1.083 1
1 178 . 6 1 1 A 15 15 LYS CA C 15 57.890 57.445 0.445 1
1 179 . 6 1 1 A 15 15 LYS CB C 15 30.550 31.624 -1.074 1
1 183 . 6 1 1 A 15 15 LYS N N 15 124.930 127.435 -2.505 1
1 184 . 6 1 1 A 16 16 GLY H H 16 8.730 8.549 0.181 1
1 185 . 6 1 1 A 16 16 GLY HA2 H 16 3.670 3.855 -0.185 1
1 186 . 6 1 1 A 16 16 GLY HA3 H 16 4.230 3.864 0.366 1
1 187 . 6 1 1 A 16 16 GLY C C 16 174.360 173.997 0.363 1
1 188 . 6 1 1 A 16 16 GLY CA C 16 45.540 45.333 0.207 1
1 189 . 6 1 1 A 16 16 GLY N N 16 104.580 105.373 -0.793 1
1 190 . 6 1 1 A 17 17 THR H H 17 8.400 8.016 0.384 1
1 191 . 6 1 1 A 17 17 THR HA H 17 4.490 4.396 0.094 1
1 196 . 6 1 1 A 17 17 THR C C 17 172.970 173.815 -0.845 1
1 197 . 6 1 1 A 17 17 THR CA C 17 62.580 63.152 -0.572 1
1 198 . 6 1 1 A 17 17 THR CB C 17 70.320 69.553 0.767 1
1 200 . 6 1 1 A 17 17 THR N N 17 120.070 117.505 2.565 1
1 201 . 6 1 1 A 18 18 LYS H H 18 8.750 8.768 -0.018 1
1 202 . 6 1 1 A 18 18 LYS HA H 18 4.920 4.750 0.170 1
1 211 . 6 1 1 A 18 18 LYS C C 18 175.860 175.240 0.620 1
1 212 . 6 1 1 A 18 18 LYS CA C 18 56.350 56.166 0.184 1
1 213 . 6 1 1 A 18 18 LYS CB C 18 32.940 33.193 -0.253 1
1 217 . 6 1 1 A 18 18 LYS N N 18 127.270 127.538 -0.268 1
1 218 . 6 1 1 A 19 19 LEU H H 19 8.750 8.891 -0.141 1
1 219 . 6 1 1 A 19 19 LEU HA H 19 4.850 5.137 -0.287 1
1 229 . 6 1 1 A 19 19 LEU C C 19 174.210 175.969 -1.759 1
1 230 . 6 1 1 A 19 19 LEU CA C 19 55.160 53.468 1.692 1
1 231 . 6 1 1 A 19 19 LEU CB C 19 43.340 45.976 -2.636 1
1 235 . 6 1 1 A 19 19 LEU N N 19 123.470 127.624 -4.154 1
1 236 . 6 1 1 A 20 20 LYS H H 20 8.660 8.445 0.215 1
1 237 . 6 1 1 A 20 20 LYS HA H 20 5.180 4.784 0.396 1
1 246 . 6 1 1 A 20 20 LYS C C 20 175.650 175.758 -0.108 1
1 247 . 6 1 1 A 20 20 LYS CA C 20 54.630 55.725 -1.095 1
1 248 . 6 1 1 A 20 20 LYS CB C 20 34.710 34.061 0.649 1
1 252 . 6 1 1 A 20 20 LYS N N 20 118.320 121.156 -2.836 1
1 253 . 6 1 1 A 21 21 ALA H H 21 8.860 8.497 0.363 1
1 254 . 6 1 1 A 21 21 ALA HA H 21 5.470 5.508 -0.038 1
1 258 . 6 1 1 A 21 21 ALA C C 21 174.740 175.904 -1.164 1
1 259 . 6 1 1 A 21 21 ALA CA C 21 49.510 50.577 -1.067 1
1 260 . 6 1 1 A 21 21 ALA CB C 21 22.990 24.099 -1.109 1
1 261 . 6 1 1 A 21 21 ALA N N 21 120.460 122.190 -1.730 1
1 262 . 6 1 1 A 22 22 HIS H H 22 9.140 9.138 0.002 1
1 263 . 6 1 1 A 22 22 HIS HA H 22 5.070 5.482 -0.412 1
1 268 . 6 1 1 A 22 22 HIS C C 22 174.310 174.193 0.117 1
1 269 . 6 1 1 A 22 22 HIS CA C 22 54.040 53.139 0.901 1
1 270 . 6 1 1 A 22 22 HIS CB C 22 32.390 32.864 -0.474 1
1 272 . 6 1 1 A 22 22 HIS N N 22 119.890 116.866 3.024 1
1 273 . 6 1 1 A 23 23 TRP H H 23 9.160 9.065 0.095 1
1 274 . 6 1 1 A 23 23 TRP HA H 23 4.360 4.736 -0.376 1
1 283 . 6 1 1 A 23 23 TRP C C 23 175.070 174.841 0.229 1
1 284 . 6 1 1 A 23 23 TRP CA C 23 59.160 56.909 2.251 1
1 285 . 6 1 1 A 23 23 TRP CB C 23 30.710 29.646 1.064 1
1 291 . 6 1 1 A 23 23 TRP N N 23 126.610 126.753 -0.143 1
1 293 . 6 1 1 A 24 24 ASP H H 24 7.720 7.953 -0.233 1
1 294 . 6 1 1 A 24 24 ASP HA H 24 4.880 4.792 0.088 1
1 297 . 6 1 1 A 24 24 ASP C C 24 175.340 175.796 -0.456 1
1 298 . 6 1 1 A 24 24 ASP CA C 24 53.030 52.200 0.830 1
1 299 . 6 1 1 A 24 24 ASP CB C 24 43.510 42.173 1.337 1
1 300 . 6 1 1 A 24 24 ASP N N 24 126.750 128.659 -1.909 1
1 301 . 6 1 1 A 25 25 SER H H 25 8.490 8.418 0.072 1
1 302 . 6 1 1 A 25 25 SER HA H 25 3.580 3.444 0.136 1
1 305 . 6 1 1 A 25 25 SER C C 25 175.340 176.607 -1.267 1
1 306 . 6 1 1 A 25 25 SER CA C 25 60.640 60.876 -0.236 1
1 307 . 6 1 1 A 25 25 SER CB C 25 62.990 62.589 0.401 1
1 308 . 6 1 1 A 25 25 SER N N 25 119.220 121.032 -1.812 1
1 309 . 6 1 1 A 26 26 GLY H H 26 8.670 7.918 0.752 1
1 310 . 6 1 1 A 26 26 GLY HA2 H 26 3.630 3.775 -0.145 1
1 311 . 6 1 1 A 26 26 GLY HA3 H 26 4.200 3.779 0.421 1
1 312 . 6 1 1 A 26 26 GLY C C 26 174.190 174.800 -0.610 1
1 313 . 6 1 1 A 26 26 GLY CA C 26 44.760 47.106 -2.346 1
1 314 . 6 1 1 A 26 26 GLY N N 26 109.290 107.760 1.530 1
1 315 . 6 1 1 A 27 27 ALA H H 27 7.550 7.147 0.403 1
1 316 . 6 1 1 A 27 27 ALA HA H 27 4.370 4.195 0.175 1
1 320 . 6 1 1 A 27 27 ALA C C 27 178.430 178.407 0.023 1
1 321 . 6 1 1 A 27 27 ALA CA C 27 52.240 52.501 -0.261 1
1 322 . 6 1 1 A 27 27 ALA CB C 27 18.240 19.474 -1.234 1
1 323 . 6 1 1 A 27 27 ALA N N 27 124.840 122.457 2.383 1
1 324 . 6 1 1 A 28 28 THR H H 28 8.260 8.749 -0.489 1
1 325 . 6 1 1 A 28 28 THR HA H 28 4.230 4.344 -0.114 1
1 330 . 6 1 1 A 28 28 THR C C 28 173.830 174.429 -0.599 1
1 331 . 6 1 1 A 28 28 THR CA C 28 62.180 62.275 -0.095 1
1 332 . 6 1 1 A 28 28 THR CB C 28 69.240 69.244 -0.004 1
1 333 . 6 1 1 A 28 28 THR N N 28 112.480 113.012 -0.532 1
1 334 . 6 1 1 A 29 29 ILE H H 29 7.460 7.574 -0.114 1
1 335 . 6 1 1 A 29 29 ILE HA H 29 4.540 4.759 -0.219 1
1 345 . 6 1 1 A 29 29 ILE C C 29 173.440 174.378 -0.938 1
1 346 . 6 1 1 A 29 29 ILE CA C 29 60.540 59.475 1.065 1
1 347 . 6 1 1 A 29 29 ILE CB C 29 40.780 42.172 -1.392 1
1 351 . 6 1 1 A 29 29 ILE N N 29 118.820 121.851 -3.031 1
1 352 . 6 1 1 A 30 30 THR H H 30 9.380 8.722 0.658 1
1 353 . 6 1 1 A 30 30 THR HA H 30 4.870 4.466 0.404 1
1 358 . 6 1 1 A 30 30 THR C C 30 173.600 173.909 -0.309 1
1 359 . 6 1 1 A 30 30 THR CA C 30 64.280 62.779 1.501 1
1 360 . 6 1 1 A 30 30 THR CB C 30 69.840 69.394 0.446 1
1 361 . 6 1 1 A 30 30 THR N N 30 129.290 121.360 7.930 1
1 362 . 6 1 1 A 31 31 CYS H H 31 9.180 8.293 0.887 1
1 363 . 6 1 1 A 31 31 CYS HA H 31 5.530 5.182 0.348 1
1 366 . 6 1 1 A 31 31 CYS C C 31 174.420 173.249 1.171 1
1 367 . 6 1 1 A 31 31 CYS CA C 31 56.540 57.409 -0.869 1
1 368 . 6 1 1 A 31 31 CYS CB C 31 30.780 30.979 -0.199 1
1 369 . 6 1 1 A 31 31 CYS N N 31 122.220 125.910 -3.690 1
1 370 . 6 1 1 A 32 32 VAL H H 32 9.090 8.866 0.224 1
1 371 . 6 1 1 A 32 32 VAL HA H 32 4.710 4.823 -0.113 1
1 379 . 6 1 1 A 32 32 VAL CA C 32 57.300 57.876 -0.576 1
1 380 . 6 1 1 A 32 32 VAL CB C 32 32.860 34.323 -1.463 1
1 383 . 6 1 1 A 32 32 VAL N N 32 117.890 120.164 -2.274 1
1 384 . 6 1 1 A 33 33 PRO HA H 33 4.530 5.218 -0.688 1
1 391 . 6 1 1 A 33 33 PRO C C 33 178.110 177.804 0.306 1
1 392 . 6 1 1 A 33 33 PRO CA C 33 64.140 62.552 1.588 1
1 393 . 6 1 1 A 33 33 PRO CB C 33 32.200 32.151 0.049 1
1 396 . 6 1 1 A 34 34 GLU H H 34 8.380 8.619 -0.239 1
1 397 . 6 1 1 A 34 34 GLU HA H 34 3.730 3.919 -0.189 1
1 402 . 6 1 1 A 34 34 GLU C C 34 177.830 178.301 -0.471 1
1 403 . 6 1 1 A 34 34 GLU CA C 34 59.480 59.550 -0.070 1
1 404 . 6 1 1 A 34 34 GLU CB C 34 29.860 29.206 0.654 1
1 406 . 6 1 1 A 34 34 GLU N N 34 122.200 124.538 -2.338 1
1 407 . 6 1 1 A 35 35 ALA H H 35 9.050 8.104 0.946 1
1 408 . 6 1 1 A 35 35 ALA HA H 35 4.030 3.997 0.033 1
1 412 . 6 1 1 A 35 35 ALA C C 35 180.250 178.968 1.282 1
1 413 . 6 1 1 A 35 35 ALA CA C 35 54.850 54.783 0.067 1
1 414 . 6 1 1 A 35 35 ALA CB C 35 18.160 18.560 -0.400 1
1 415 . 6 1 1 A 35 35 ALA N N 35 123.090 121.983 1.107 1
1 416 . 6 1 1 A 36 36 PHE H H 36 7.510 8.029 -0.519 1
1 417 . 6 1 1 A 36 36 PHE HA H 36 4.370 4.375 -0.005 1
1 425 . 6 1 1 A 36 36 PHE C C 36 174.870 176.746 -1.876 1
1 426 . 6 1 1 A 36 36 PHE CA C 36 60.160 59.659 0.501 1
1 427 . 6 1 1 A 36 36 PHE CB C 36 38.930 39.282 -0.352 1
1 433 . 6 1 1 A 36 36 PHE N N 36 112.030 114.929 -2.899 1
1 434 . 6 1 1 A 37 37 LEU H H 37 7.640 8.141 -0.501 1
1 435 . 6 1 1 A 37 37 LEU HA H 37 4.230 4.366 -0.136 1
1 445 . 6 1 1 A 37 37 LEU C C 37 177.380 177.397 -0.017 1
1 446 . 6 1 1 A 37 37 LEU CA C 37 53.080 54.313 -1.233 1
1 447 . 6 1 1 A 37 37 LEU CB C 37 41.050 42.764 -1.714 1
1 451 . 6 1 1 A 37 37 LEU N N 37 116.800 118.233 -1.433 1
1 452 . 6 1 1 A 38 38 GLU H H 38 7.050 8.478 -1.428 1
1 453 . 6 1 1 A 38 38 GLU HA H 38 3.980 3.995 -0.015 1
1 458 . 6 1 1 A 38 38 GLU C C 38 176.630 177.389 -0.759 1
1 459 . 6 1 1 A 38 38 GLU CA C 38 59.250 58.687 0.563 1
1 460 . 6 1 1 A 38 38 GLU CB C 38 29.870 29.629 0.241 1
1 462 . 6 1 1 A 38 38 GLU N N 38 121.260 120.442 0.818 1
1 463 . 6 1 1 A 39 39 ASP H H 39 8.690 8.061 0.629 1
1 464 . 6 1 1 A 39 39 ASP HA H 39 4.700 4.855 -0.155 1
1 467 . 6 1 1 A 39 39 ASP C C 39 175.570 175.899 -0.329 1
1 468 . 6 1 1 A 39 39 ASP CA C 39 53.760 52.961 0.799 1
1 469 . 6 1 1 A 39 39 ASP CB C 39 40.010 41.348 -1.338 1
1 470 . 6 1 1 A 39 39 ASP N N 39 115.590 118.915 -3.325 1
1 471 . 6 1 1 A 40 40 GLU H H 40 7.460 8.532 -1.072 1
1 472 . 6 1 1 A 40 40 GLU HA H 40 4.720 4.942 -0.222 1
1 477 . 6 1 1 A 40 40 GLU C C 40 175.660 176.001 -0.341 1
1 478 . 6 1 1 A 40 40 GLU CA C 40 54.240 54.832 -0.592 1
1 479 . 6 1 1 A 40 40 GLU CB C 40 31.240 31.314 -0.074 1
1 481 . 6 1 1 A 40 40 GLU N N 40 118.210 119.407 -1.197 1
1 482 . 6 1 1 A 41 41 ARG H H 41 9.130 8.563 0.567 1
1 483 . 6 1 1 A 41 41 ARG HA H 41 5.080 4.897 0.183 1
1 490 . 6 1 1 A 41 41 ARG CA C 41 52.540 52.326 0.214 1
1 491 . 6 1 1 A 41 41 ARG CB C 41 31.240 31.660 -0.420 1
1 494 . 6 1 1 A 41 41 ARG N N 41 121.830 121.747 0.083 1
1 495 . 6 1 1 A 42 42 PRO HA H 42 3.840 4.119 -0.279 1
1 502 . 6 1 1 A 42 42 PRO C C 42 177.180 177.074 0.106 1
1 503 . 6 1 1 A 42 42 PRO CA C 42 63.010 62.008 1.002 1
1 504 . 6 1 1 A 42 42 PRO CB C 42 32.490 31.376 1.114 1
1 507 . 6 1 1 A 43 43 ILE H H 43 9.110 8.254 0.856 1
1 508 . 6 1 1 A 43 43 ILE HA H 43 4.410 4.183 0.227 1
1 518 . 6 1 1 A 43 43 ILE C C 43 176.220 175.944 0.276 1
1 519 . 6 1 1 A 43 43 ILE CA C 43 61.480 61.740 -0.260 1
1 520 . 6 1 1 A 43 43 ILE CB C 43 39.510 38.649 0.861 1
1 524 . 6 1 1 A 43 43 ILE N N 43 115.610 118.017 -2.407 1
1 525 . 6 1 1 A 44 44 GLN H H 44 7.750 7.627 0.123 1
1 526 . 6 1 1 A 44 44 GLN HA H 44 4.610 4.733 -0.123 1
1 533 . 6 1 1 A 44 44 GLN C C 44 173.610 173.890 -0.280 1
1 534 . 6 1 1 A 44 44 GLN CA C 44 55.140 54.715 0.425 1
1 535 . 6 1 1 A 44 44 GLN CB C 44 31.460 32.128 -0.668 1
1 537 . 6 1 1 A 44 44 GLN N N 44 118.360 120.206 -1.846 1
1 539 . 6 1 1 A 45 45 THR H H 45 8.560 8.838 -0.278 1
1 540 . 6 1 1 A 45 45 THR HA H 45 5.140 5.201 -0.061 1
1 545 . 6 1 1 A 45 45 THR C C 45 177.830 173.293 4.537 1
1 546 . 6 1 1 A 45 45 THR CA C 45 61.450 59.944 1.506 1
1 547 . 6 1 1 A 45 45 THR CB C 45 71.380 71.757 -0.377 1
1 549 . 6 1 1 A 45 45 THR N N 45 115.470 113.028 2.442 1
1 550 . 6 1 1 A 46 46 MET H H 46 9.100 9.145 -0.045 1
1 551 . 6 1 1 A 46 46 MET HA H 46 4.730 4.875 -0.145 1
1 556 . 6 1 1 A 46 46 MET C C 46 173.520 174.312 -0.792 1
1 557 . 6 1 1 A 46 46 MET CA C 46 54.560 54.598 -0.038 1
1 558 . 6 1 1 A 46 46 MET CB C 46 36.500 36.419 0.081 1
1 560 . 6 1 1 A 46 46 MET N N 46 123.160 121.738 1.422 1
1 561 . 6 1 1 A 47 47 LEU H H 47 8.490 8.484 0.006 1
1 562 . 6 1 1 A 47 47 LEU HA H 47 4.730 4.666 0.064 1
1 572 . 6 1 1 A 47 47 LEU C C 47 176.210 176.337 -0.127 1
1 573 . 6 1 1 A 47 47 LEU CA C 47 54.440 54.342 0.098 1
1 574 . 6 1 1 A 47 47 LEU CB C 47 42.540 42.761 -0.221 1
1 578 . 6 1 1 A 47 47 LEU N N 47 124.300 124.771 -0.471 1
1 579 . 6 1 1 A 48 48 ILE H H 48 8.990 9.336 -0.346 1
1 580 . 6 1 1 A 48 48 ILE HA H 48 4.430 4.753 -0.323 1
1 590 . 6 1 1 A 48 48 ILE C C 48 175.040 174.088 0.952 1
1 591 . 6 1 1 A 48 48 ILE CA C 48 59.150 60.148 -0.998 1
1 592 . 6 1 1 A 48 48 ILE CB C 48 39.910 40.655 -0.745 1
1 596 . 6 1 1 A 48 48 ILE N N 48 125.760 125.606 0.154 1
1 597 . 6 1 1 A 49 49 LYS H H 49 8.710 8.933 -0.223 1
1 598 . 6 1 1 A 49 49 LYS HA H 49 4.550 5.172 -0.622 1
1 607 . 6 1 1 A 49 49 LYS C C 49 176.060 176.174 -0.114 1
1 608 . 6 1 1 A 49 49 LYS CA C 49 56.570 54.681 1.889 1
1 609 . 6 1 1 A 49 49 LYS CB C 49 33.010 35.348 -2.338 1
1 613 . 6 1 1 A 49 49 LYS N N 49 126.480 127.987 -1.507 1
1 614 . 6 1 1 A 50 50 THR H H 50 8.150 9.259 -1.109 1
1 615 . 6 1 1 A 50 50 THR HA H 50 4.860 4.929 -0.069 1
1 620 . 6 1 1 A 50 50 THR CA C 50 60.030 59.789 0.241 1
1 621 . 6 1 1 A 50 50 THR CB C 50 72.820 71.650 1.170 1
1 623 . 6 1 1 A 50 50 THR N N 50 116.220 117.396 -1.176 1
1 624 . 6 1 1 A 51 51 ILE HA H 51 4.400 3.761 0.639 1
1 634 . 6 1 1 A 51 51 ILE C C 51 176.140 178.281 -2.141 1
1 635 . 6 1 1 A 51 51 ILE CA C 51 63.450 65.208 -1.758 1
1 636 . 6 1 1 A 51 51 ILE CB C 51 37.970 37.900 0.070 1
1 640 . 6 1 1 A 52 52 HIS H H 52 7.820 8.171 -0.351 1
1 641 . 6 1 1 A 52 52 HIS HA H 52 4.830 4.186 0.644 1
1 644 . 6 1 1 A 52 52 HIS C C 52 175.190 175.272 -0.082 1
1 645 . 6 1 1 A 52 52 HIS CA C 52 55.670 59.375 -3.705 1
1 646 . 6 1 1 A 52 52 HIS CB C 52 31.260 30.279 0.981 1
1 647 . 6 1 1 A 52 52 HIS N N 52 118.280 118.976 -0.696 1
1 648 . 6 1 1 A 53 53 GLY H H 53 7.590 7.438 0.152 1
1 649 . 6 1 1 A 53 53 GLY HA2 H 53 3.880 3.906 -0.026 1
1 650 . 6 1 1 A 53 53 GLY HA3 H 53 4.510 3.911 0.599 1
1 651 . 6 1 1 A 53 53 GLY C C 53 173.360 171.360 2.000 1
1 652 . 6 1 1 A 53 53 GLY CA C 53 44.510 45.836 -1.326 1
1 653 . 6 1 1 A 53 53 GLY N N 53 108.490 105.235 3.255 1
1 654 . 6 1 1 A 54 54 GLU H H 54 8.710 8.470 0.240 1
1 655 . 6 1 1 A 54 54 GLU HA H 54 5.050 5.039 0.011 1
1 660 . 6 1 1 A 54 54 GLU C C 54 175.890 174.806 1.084 1
1 661 . 6 1 1 A 54 54 GLU CA C 54 55.980 55.118 0.862 1
1 662 . 6 1 1 A 54 54 GLU CB C 54 31.610 32.396 -0.786 1
1 664 . 6 1 1 A 54 54 GLU N N 54 121.850 121.479 0.371 1
1 665 . 6 1 1 A 55 55 LYS H H 55 8.930 9.538 -0.608 1
1 666 . 6 1 1 A 55 55 LYS HA H 55 4.670 5.198 -0.528 1
1 675 . 6 1 1 A 55 55 LYS C C 55 174.630 174.432 0.198 1
1 676 . 6 1 1 A 55 55 LYS CA C 55 54.750 54.563 0.187 1
1 677 . 6 1 1 A 55 55 LYS CB C 55 35.910 36.411 -0.501 1
1 681 . 6 1 1 A 55 55 LYS N N 55 123.380 127.916 -4.536 1
1 682 . 6 1 1 A 56 56 GLN H H 56 8.670 8.941 -0.271 1
1 683 . 6 1 1 A 56 56 GLN HA H 56 4.820 4.924 -0.104 1
1 688 . 6 1 1 A 56 56 GLN C C 56 175.780 174.948 0.832 1
1 689 . 6 1 1 A 56 56 GLN CA C 56 55.500 55.052 0.448 1
1 690 . 6 1 1 A 56 56 GLN CB C 56 29.470 30.367 -0.897 1
1 692 . 6 1 1 A 56 56 GLN N N 56 122.950 127.643 -4.693 1
1 693 . 6 1 1 A 57 57 GLN H H 57 9.210 8.771 0.439 1
1 694 . 6 1 1 A 57 57 GLN HA H 57 4.740 4.909 -0.169 1
1 701 . 6 1 1 A 57 57 GLN C C 57 174.100 174.993 -0.893 1
1 702 . 6 1 1 A 57 57 GLN CA C 57 54.760 54.584 0.176 1
1 703 . 6 1 1 A 57 57 GLN CB C 57 32.670 32.284 0.386 1
1 705 . 6 1 1 A 57 57 GLN N N 57 125.030 124.918 0.112 1
1 707 . 6 1 1 A 58 58 ASP H H 58 8.570 8.733 -0.163 1
1 708 . 6 1 1 A 58 58 ASP HA H 58 4.860 5.015 -0.155 1
1 711 . 6 1 1 A 58 58 ASP C C 58 173.690 176.405 -2.715 1
1 712 . 6 1 1 A 58 58 ASP CA C 58 55.090 54.195 0.895 1
1 713 . 6 1 1 A 58 58 ASP CB C 58 42.120 42.466 -0.346 1
1 714 . 6 1 1 A 58 58 ASP N N 58 124.680 121.049 3.631 1
1 715 . 6 1 1 A 59 59 VAL H H 59 8.480 9.481 -1.001 1
1 716 . 6 1 1 A 59 59 VAL HA H 59 4.610 4.766 -0.156 1
1 724 . 6 1 1 A 59 59 VAL C C 59 174.600 175.197 -0.597 1
1 725 . 6 1 1 A 59 59 VAL CA C 59 61.130 61.608 -0.478 1
1 726 . 6 1 1 A 59 59 VAL CB C 59 34.250 32.482 1.768 1
1 729 . 6 1 1 A 59 59 VAL N N 59 121.270 122.643 -1.373 1
1 730 . 6 1 1 A 60 60 TYR H H 60 9.390 8.919 0.471 1
1 731 . 6 1 1 A 60 60 TYR HA H 60 4.800 4.990 -0.190 1
1 738 . 6 1 1 A 60 60 TYR C C 60 173.840 174.205 -0.365 1
1 739 . 6 1 1 A 60 60 TYR CA C 60 56.840 56.813 0.027 1
1 740 . 6 1 1 A 60 60 TYR CB C 60 41.190 42.431 -1.241 1
1 745 . 6 1 1 A 60 60 TYR N N 60 125.760 124.285 1.475 1
1 746 . 6 1 1 A 61 61 TYR H H 61 9.300 9.065 0.235 1
1 747 . 6 1 1 A 61 61 TYR HA H 61 5.370 5.208 0.162 1
1 754 . 6 1 1 A 61 61 TYR C C 61 174.300 174.399 -0.099 1
1 755 . 6 1 1 A 61 61 TYR CA C 61 57.490 57.009 0.481 1
1 756 . 6 1 1 A 61 61 TYR CB C 61 40.900 40.018 0.882 1
1 761 . 6 1 1 A 61 61 TYR N N 61 122.890 125.165 -2.275 1
1 762 . 6 1 1 A 62 62 LEU H H 62 8.770 9.015 -0.245 1
1 763 . 6 1 1 A 62 62 LEU HA H 62 4.780 5.233 -0.453 1
1 773 . 6 1 1 A 62 62 LEU C C 62 174.070 175.599 -1.529 1
1 774 . 6 1 1 A 62 62 LEU CA C 62 53.760 53.589 0.171 1
1 775 . 6 1 1 A 62 62 LEU CB C 62 49.020 45.740 3.280 1
1 779 . 6 1 1 A 62 62 LEU N N 62 129.700 129.243 0.457 1
1 780 . 6 1 1 A 63 63 THR H H 63 7.960 8.757 -0.797 1
1 781 . 6 1 1 A 63 63 THR HA H 63 5.410 5.010 0.400 1
1 786 . 6 1 1 A 63 63 THR C C 63 173.860 174.104 -0.244 1
1 787 . 6 1 1 A 63 63 THR CA C 63 60.850 61.610 -0.760 1
1 788 . 6 1 1 A 63 63 THR CB C 63 69.790 70.398 -0.608 1
1 790 . 6 1 1 A 63 63 THR N N 63 118.460 116.668 1.792 1
1 791 . 6 1 1 A 64 64 PHE H H 64 9.270 8.781 0.489 1
1 792 . 6 1 1 A 64 64 PHE HA H 64 5.100 5.690 -0.590 1
1 800 . 6 1 1 A 64 64 PHE C C 64 172.280 172.860 -0.580 1
1 801 . 6 1 1 A 64 64 PHE CA C 64 56.020 55.096 0.924 1
1 802 . 6 1 1 A 64 64 PHE CB C 64 38.350 42.247 -3.897 1
1 808 . 6 1 1 A 64 64 PHE N N 64 123.960 123.024 0.936 1
1 809 . 6 1 1 A 65 65 LYS H H 65 8.750 8.837 -0.087 1
1 810 . 6 1 1 A 65 65 LYS HA H 65 5.500 5.100 0.400 1
1 819 . 6 1 1 A 65 65 LYS C C 65 176.300 176.103 0.197 1
1 820 . 6 1 1 A 65 65 LYS CA C 65 54.900 56.292 -1.392 1
1 821 . 6 1 1 A 65 65 LYS CB C 65 37.730 33.370 4.360 1
1 825 . 6 1 1 A 65 65 LYS N N 65 117.930 120.139 -2.209 1
1 826 . 6 1 1 A 66 66 VAL H H 66 8.840 9.662 -0.822 1
1 827 . 6 1 1 A 66 66 VAL HA H 66 4.520 4.622 -0.102 1
1 835 . 6 1 1 A 66 66 VAL C C 66 175.550 175.946 -0.396 1
1 836 . 6 1 1 A 66 66 VAL CA C 66 62.130 61.280 0.850 1
1 837 . 6 1 1 A 66 66 VAL CB C 66 35.100 32.045 3.055 1
1 840 . 6 1 1 A 66 66 VAL N N 66 119.330 125.233 -5.903 1
1 841 . 6 1 1 A 67 67 GLN H H 67 9.690 9.353 0.337 1
1 842 . 6 1 1 A 67 67 GLN HA H 67 4.050 4.086 -0.036 1
1 849 . 6 1 1 A 67 67 GLN C C 67 176.300 176.268 0.032 1
1 850 . 6 1 1 A 67 67 GLN CA C 67 56.720 57.168 -0.448 1
1 851 . 6 1 1 A 67 67 GLN CB C 67 28.230 26.839 1.391 1
1 853 . 6 1 1 A 67 67 GLN N N 67 125.930 128.606 -2.676 1
1 855 . 6 1 1 A 68 68 GLY H H 68 8.980 8.678 0.302 1
1 856 . 6 1 1 A 68 68 GLY HA2 H 68 3.510 3.830 -0.320 1
1 857 . 6 1 1 A 68 68 GLY HA3 H 68 4.140 3.838 0.302 1
1 858 . 6 1 1 A 68 68 GLY C C 68 173.410 173.740 -0.330 1
1 859 . 6 1 1 A 68 68 GLY CA C 68 45.460 45.827 -0.367 1
1 860 . 6 1 1 A 68 68 GLY N N 68 103.510 104.357 -0.847 1
1 861 . 6 1 1 A 69 69 ARG H H 69 8.070 7.794 0.276 1
1 862 . 6 1 1 A 69 69 ARG HA H 69 4.400 4.643 -0.243 1
1 869 . 6 1 1 A 69 69 ARG C C 69 174.880 174.655 0.225 1
1 870 . 6 1 1 A 69 69 ARG CA C 69 54.730 54.203 0.527 1
1 871 . 6 1 1 A 69 69 ARG CB C 69 31.520 32.972 -1.452 1
1 874 . 6 1 1 A 69 69 ARG N N 69 122.680 119.762 2.918 1
1 875 . 6 1 1 A 70 70 LYS H H 70 8.390 8.586 -0.196 1
1 876 . 6 1 1 A 70 70 LYS HA H 70 4.220 4.289 -0.069 1
1 885 . 6 1 1 A 70 70 LYS C C 70 175.330 174.935 0.395 1
1 886 . 6 1 1 A 70 70 LYS CA C 70 57.860 56.794 1.066 1
1 887 . 6 1 1 A 70 70 LYS CB C 70 32.790 32.947 -0.157 1
1 891 . 6 1 1 A 70 70 LYS N N 70 123.590 125.615 -2.025 1
1 892 . 6 1 1 A 71 71 VAL H H 71 9.050 8.201 0.849 1
1 893 . 6 1 1 A 71 71 VAL HA H 71 4.140 4.538 -0.398 1
1 901 . 6 1 1 A 71 71 VAL C C 71 173.310 173.663 -0.353 1
1 902 . 6 1 1 A 71 71 VAL CA C 71 61.370 60.748 0.622 1
1 903 . 6 1 1 A 71 71 VAL CB C 71 34.610 35.321 -0.711 1
1 906 . 6 1 1 A 71 71 VAL N N 71 128.340 126.312 2.028 1
1 907 . 6 1 1 A 72 72 GLU H H 72 8.150 9.050 -0.900 1
1 908 . 6 1 1 A 72 72 GLU HA H 72 4.970 5.322 -0.352 1
1 913 . 6 1 1 A 72 72 GLU C C 72 174.910 175.031 -0.121 1
1 914 . 6 1 1 A 72 72 GLU CA C 72 54.490 54.541 -0.051 1
1 915 . 6 1 1 A 72 72 GLU CB C 72 31.410 33.220 -1.810 1
1 917 . 6 1 1 A 72 72 GLU N N 72 124.430 128.016 -3.586 1
1 918 . 6 1 1 A 73 73 ALA H H 73 8.420 8.220 0.200 1
1 919 . 6 1 1 A 73 73 ALA HA H 73 4.770 4.253 0.517 1
1 923 . 6 1 1 A 73 73 ALA C C 73 175.140 175.718 -0.578 1
1 924 . 6 1 1 A 73 73 ALA CA C 73 51.050 50.696 0.354 1
1 925 . 6 1 1 A 73 73 ALA CB C 73 23.060 22.937 0.123 1
1 926 . 6 1 1 A 73 73 ALA N N 73 124.790 127.378 -2.588 1
1 927 . 6 1 1 A 74 74 GLU H H 74 8.520 8.238 0.282 1
1 928 . 6 1 1 A 74 74 GLU HA H 74 5.260 5.067 0.193 1
1 933 . 6 1 1 A 74 74 GLU C C 74 176.570 176.454 0.116 1
1 934 . 6 1 1 A 74 74 GLU CA C 74 55.770 56.958 -1.188 1
1 935 . 6 1 1 A 74 74 GLU CB C 74 29.840 30.079 -0.239 1
1 937 . 6 1 1 A 74 74 GLU N N 74 120.480 118.203 2.277 1
1 938 . 6 1 1 A 75 75 VAL H H 75 9.240 9.845 -0.605 1
1 939 . 6 1 1 A 75 75 VAL HA H 75 5.730 5.291 0.439 1
1 947 . 6 1 1 A 75 75 VAL C C 75 174.700 174.070 0.630 1
1 948 . 6 1 1 A 75 75 VAL CA C 75 57.950 58.984 -1.034 1
1 949 . 6 1 1 A 75 75 VAL CB C 75 36.540 35.685 0.855 1
1 952 . 6 1 1 A 75 75 VAL N N 75 113.070 118.844 -5.774 1
1 953 . 6 1 1 A 76 76 LEU H H 76 8.420 8.674 -0.254 1
1 954 . 6 1 1 A 76 76 LEU HA H 76 5.110 4.943 0.167 1
1 964 . 6 1 1 A 76 76 LEU C C 76 176.970 176.763 0.207 1
1 965 . 6 1 1 A 76 76 LEU CA C 76 52.370 53.442 -1.072 1
1 966 . 6 1 1 A 76 76 LEU CB C 76 45.230 43.933 1.297 1
1 970 . 6 1 1 A 76 76 LEU N N 76 117.790 123.678 -5.888 1
1 971 . 6 1 1 A 77 77 ALA H H 77 8.930 8.482 0.448 1
1 972 . 6 1 1 A 77 77 ALA HA H 77 4.500 4.711 -0.211 1
1 976 . 6 1 1 A 77 77 ALA C C 77 177.950 176.760 1.190 1
1 977 . 6 1 1 A 77 77 ALA CA C 77 52.090 52.172 -0.082 1
1 978 . 6 1 1 A 77 77 ALA CB C 77 20.280 19.475 0.805 1
1 979 . 6 1 1 A 77 77 ALA N N 77 122.210 127.212 -5.002 1
1 980 . 6 1 1 A 78 78 SER H H 78 8.380 8.517 -0.137 1
1 981 . 6 1 1 A 78 78 SER HA H 78 5.010 4.915 0.095 1
1 984 . 6 1 1 A 78 78 SER CA C 78 54.230 55.553 -1.323 1
1 985 . 6 1 1 A 78 78 SER CB C 78 66.050 65.956 0.094 1
1 986 . 6 1 1 A 78 78 SER N N 78 117.830 116.020 1.810 1
1 987 . 6 1 1 A 79 79 PRO HA H 79 4.660 4.491 0.169 1
1 994 . 6 1 1 A 79 79 PRO C C 79 176.150 175.980 0.170 1
1 995 . 6 1 1 A 79 79 PRO CA C 79 62.860 63.278 -0.418 1
1 996 . 6 1 1 A 79 79 PRO CB C 79 31.230 31.687 -0.457 1
1 999 . 6 1 1 A 80 80 TYR H H 80 7.380 7.215 0.165 1
1 1000 . 6 1 1 A 80 80 TYR HA H 80 4.710 4.696 0.014 1
1 1007 . 6 1 1 A 80 80 TYR C C 80 175.550 175.572 -0.022 1
1 1008 . 6 1 1 A 80 80 TYR CA C 80 56.150 57.815 -1.665 1
1 1009 . 6 1 1 A 80 80 TYR CB C 80 38.490 39.323 -0.833 1
1 1014 . 6 1 1 A 80 80 TYR N N 80 120.860 120.452 0.408 1
1 1015 . 6 1 1 A 81 81 ASP H H 81 8.290 9.433 -1.143 1
1 1016 . 6 1 1 A 81 81 ASP HA H 81 4.640 5.013 -0.373 1
1 1019 . 6 1 1 A 81 81 ASP C C 81 175.290 175.190 0.100 1
1 1020 . 6 1 1 A 81 81 ASP CA C 81 53.560 54.308 -0.748 1
1 1021 . 6 1 1 A 81 81 ASP CB C 81 40.650 41.915 -1.265 1
1 1022 . 6 1 1 A 81 81 ASP N N 81 115.600 120.671 -5.071 1
1 1023 . 6 1 1 A 82 82 TYR H H 82 6.680 7.657 -0.977 1
1 1024 . 6 1 1 A 82 82 TYR HA H 82 5.160 5.182 -0.022 1
1 1031 . 6 1 1 A 82 82 TYR C C 82 173.930 173.067 0.863 1
1 1032 . 6 1 1 A 82 82 TYR CA C 82 53.190 55.903 -2.713 1
1 1033 . 6 1 1 A 82 82 TYR CB C 82 40.820 41.675 -0.855 1
1 1038 . 6 1 1 A 82 82 TYR N N 82 116.100 116.439 -0.339 1
1 1039 . 6 1 1 A 83 83 ILE H H 83 8.900 8.664 0.236 1
1 1040 . 6 1 1 A 83 83 ILE HA H 83 4.480 4.545 -0.065 1
1 1050 . 6 1 1 A 83 83 ILE C C 83 175.160 174.833 0.327 1
1 1051 . 6 1 1 A 83 83 ILE CA C 83 60.940 59.293 1.647 1
1 1052 . 6 1 1 A 83 83 ILE CB C 83 40.980 41.732 -0.752 1
1 1056 . 6 1 1 A 83 83 ILE N N 83 119.050 119.070 -0.020 1
1 1057 . 6 1 1 A 84 84 LEU H H 84 8.740 9.178 -0.438 1
1 1058 . 6 1 1 A 84 84 LEU HA H 84 5.140 5.297 -0.157 1
1 1068 . 6 1 1 A 84 84 LEU C C 84 174.920 175.447 -0.527 1
1 1069 . 6 1 1 A 84 84 LEU CA C 84 53.800 53.534 0.266 1
1 1070 . 6 1 1 A 84 84 LEU CB C 84 44.100 43.866 0.234 1
1 1074 . 6 1 1 A 84 84 LEU N N 84 130.660 126.328 4.332 1
1 1075 . 6 1 1 A 85 85 LEU H H 85 9.010 8.858 0.152 1
1 1076 . 6 1 1 A 85 85 LEU HA H 85 4.470 5.023 -0.553 1
1 1086 . 6 1 1 A 85 85 LEU C C 85 174.660 175.386 -0.726 1
1 1087 . 6 1 1 A 85 85 LEU CA C 85 54.080 53.227 0.853 1
1 1088 . 6 1 1 A 85 85 LEU CB C 85 44.350 44.766 -0.416 1
1 1092 . 6 1 1 A 85 85 LEU N N 85 125.210 123.532 1.678 1
1 1093 . 6 1 1 A 86 86 ASN H H 86 8.370 8.672 -0.302 1
1 1094 . 6 1 1 A 86 86 ASN HA H 86 4.680 4.968 -0.288 1
1 1099 . 6 1 1 A 86 86 ASN CA C 86 49.780 49.805 -0.025 1
1 1100 . 6 1 1 A 86 86 ASN CB C 86 38.890 40.412 -1.522 1
1 1101 . 6 1 1 A 86 86 ASN N N 86 122.970 122.118 0.852 1
1 1103 . 6 1 1 A 87 87 PRO HA H 87 3.600 4.535 -0.935 1
1 1110 . 6 1 1 A 87 87 PRO C C 87 178.740 178.117 0.623 1
1 1111 . 6 1 1 A 87 87 PRO CA C 87 65.050 64.513 0.537 1
1 1112 . 6 1 1 A 87 87 PRO CB C 87 33.160 31.932 1.228 1
1 1115 . 6 1 1 A 88 88 SER H H 88 7.580 9.342 -1.762 1
1 1116 . 6 1 1 A 88 88 SER HA H 88 4.100 4.253 -0.153 1
1 1119 . 6 1 1 A 88 88 SER C C 88 175.480 175.735 -0.255 1
1 1120 . 6 1 1 A 88 88 SER CA C 88 60.730 61.114 -0.384 1
1 1121 . 6 1 1 A 88 88 SER CB C 88 62.870 63.190 -0.320 1
1 1122 . 6 1 1 A 88 88 SER N N 88 109.530 113.111 -3.581 1
1 1123 . 6 1 1 A 89 89 ASP H H 89 8.170 8.278 -0.108 1
1 1124 . 6 1 1 A 89 89 ASP HA H 89 4.770 4.444 0.326 1
1 1127 . 6 1 1 A 89 89 ASP C C 89 175.730 176.578 -0.848 1
1 1128 . 6 1 1 A 89 89 ASP CA C 89 56.030 56.252 -0.222 1
1 1129 . 6 1 1 A 89 89 ASP CB C 89 41.380 40.407 0.973 1
1 1130 . 6 1 1 A 89 89 ASP N N 89 118.600 119.284 -0.684 1
1 1131 . 6 1 1 A 90 90 VAL H H 90 7.050 7.256 -0.206 1
1 1132 . 6 1 1 A 90 90 VAL HA H 90 4.050 2.788 1.262 1
1 1140 . 6 1 1 A 90 90 VAL CA C 90 56.960 58.400 -1.440 1
1 1141 . 6 1 1 A 90 90 VAL CB C 90 31.710 31.199 0.511 1
1 1144 . 6 1 1 A 90 90 VAL N N 90 109.580 114.890 -5.310 1
1 1145 . 6 1 1 A 91 91 PRO HA H 91 4.250 4.401 -0.151 1
1 1152 . 6 1 1 A 91 91 PRO C C 91 176.870 177.645 -0.775 1
1 1153 . 6 1 1 A 91 91 PRO CA C 91 65.190 64.482 0.708 1
1 1154 . 6 1 1 A 91 91 PRO CB C 91 31.470 31.827 -0.357 1
1 1157 . 6 1 1 A 92 92 TRP H H 92 6.720 7.913 -1.193 1
1 1158 . 6 1 1 A 92 92 TRP HA H 92 4.570 4.458 0.112 1
1 1167 . 6 1 1 A 92 92 TRP C C 92 176.630 178.108 -1.478 1
1 1168 . 6 1 1 A 92 92 TRP CA C 92 56.910 59.989 -3.079 1
1 1169 . 6 1 1 A 92 92 TRP CB C 92 27.990 28.064 -0.074 1
1 1175 . 6 1 1 A 92 92 TRP N N 92 115.110 118.063 -2.953 1
1 1177 . 6 1 1 A 93 93 LEU H H 93 7.150 7.489 -0.339 1
1 1178 . 6 1 1 A 93 93 LEU HA H 93 4.220 4.012 0.208 1
1 1188 . 6 1 1 A 93 93 LEU C C 93 176.210 178.714 -2.504 1
1 1189 . 6 1 1 A 93 93 LEU CA C 93 55.350 57.837 -2.487 1
1 1190 . 6 1 1 A 93 93 LEU CB C 93 42.190 41.275 0.915 1
1 1194 . 6 1 1 A 93 93 LEU N N 93 123.090 124.461 -1.371 1
1 1195 . 6 1 1 A 94 94 MET H H 94 7.730 7.975 -0.245 1
1 1196 . 6 1 1 A 94 94 MET HA H 94 4.340 4.059 0.281 1
1 1201 . 6 1 1 A 94 94 MET C C 94 175.550 176.536 -0.986 1
1 1202 . 6 1 1 A 94 94 MET CA C 94 55.120 58.109 -2.989 1
1 1203 . 6 1 1 A 94 94 MET CB C 94 32.630 32.370 0.260 1
1 1205 . 6 1 1 A 94 94 MET N N 94 118.250 115.855 2.395 1
1 1206 . 6 1 1 A 95 95 LYS H H 95 7.950 7.375 0.575 1
1 1207 . 6 1 1 A 95 95 LYS HA H 95 4.260 4.619 -0.359 1
1 1210 . 6 1 1 A 95 95 LYS C C 95 176.130 175.616 0.514 1
1 1211 . 6 1 1 A 95 95 LYS CA C 95 56.150 55.182 0.968 1
1 1212 . 6 1 1 A 95 95 LYS CB C 95 33.010 34.172 -1.162 1
1 1213 . 6 1 1 A 95 95 LYS N N 95 121.650 118.391 3.259 1
1 1214 . 6 1 1 A 96 96 LYS H H 96 8.260 8.768 -0.508 1
1 1215 . 6 1 1 A 96 96 LYS N N 96 123.570 124.378 -0.808 1
1 1216 . 6 1 1 A 97 97 PRO HA H 97 4.530 4.631 -0.101 1
1 1219 . 6 1 1 A 97 97 PRO C C 97 176.830 177.906 -1.076 1
1 1220 . 6 1 1 A 97 97 PRO CA C 97 63.180 62.590 0.590 1
1 1221 . 6 1 1 A 97 97 PRO CB C 97 32.050 32.246 -0.196 1
1 88 . 7 1 1 A 9 9 PRO HA H 9 4.410 4.430 -0.020 1
1 95 . 7 1 1 A 9 9 PRO C C 9 176.460 176.875 -0.415 1
1 96 . 7 1 1 A 9 9 PRO CA C 9 63.030 62.268 0.762 1
1 97 . 7 1 1 A 9 9 PRO CB C 9 32.210 31.891 0.319 1
1 100 . 7 1 1 A 10 10 LEU H H 10 9.190 8.233 0.957 1
1 101 . 7 1 1 A 10 10 LEU HA H 10 4.640 4.583 0.057 1
1 111 . 7 1 1 A 10 10 LEU C C 10 176.620 176.257 0.363 1
1 112 . 7 1 1 A 10 10 LEU CA C 10 53.420 54.172 -0.752 1
1 113 . 7 1 1 A 10 10 LEU CB C 10 44.290 42.715 1.575 1
1 117 . 7 1 1 A 10 10 LEU N N 10 123.060 122.977 0.083 1
1 118 . 7 1 1 A 11 11 GLU H H 11 8.720 8.649 0.071 1
1 119 . 7 1 1 A 11 11 GLU HA H 11 4.490 5.177 -0.687 1
1 124 . 7 1 1 A 11 11 GLU C C 11 176.620 175.256 1.364 1
1 125 . 7 1 1 A 11 11 GLU CA C 11 57.060 55.024 2.036 1
1 126 . 7 1 1 A 11 11 GLU CB C 11 30.820 32.872 -2.052 1
1 128 . 7 1 1 A 11 11 GLU N N 11 121.330 121.652 -0.322 1
1 129 . 7 1 1 A 12 12 ALA H H 12 8.760 8.673 0.087 1
1 130 . 7 1 1 A 12 12 ALA HA H 12 5.390 5.313 0.077 1
1 134 . 7 1 1 A 12 12 ALA C C 12 176.040 175.156 0.884 1
1 135 . 7 1 1 A 12 12 ALA CA C 12 50.350 51.034 -0.684 1
1 136 . 7 1 1 A 12 12 ALA CB C 12 24.490 23.636 0.854 1
1 137 . 7 1 1 A 12 12 ALA N N 12 127.010 128.075 -1.065 1
1 138 . 7 1 1 A 13 13 GLU H H 13 8.850 8.906 -0.056 1
1 139 . 7 1 1 A 13 13 GLU HA H 13 5.240 5.505 -0.265 1
1 144 . 7 1 1 A 13 13 GLU C C 13 175.320 174.762 0.558 1
1 145 . 7 1 1 A 13 13 GLU CA C 13 55.580 55.052 0.528 1
1 146 . 7 1 1 A 13 13 GLU CB C 13 34.410 32.317 2.093 1
1 148 . 7 1 1 A 13 13 GLU N N 13 119.980 121.863 -1.883 1
1 149 . 7 1 1 A 14 14 ILE H H 14 8.420 8.684 -0.264 1
1 150 . 7 1 1 A 14 14 ILE HA H 14 4.210 4.673 -0.463 1
1 160 . 7 1 1 A 14 14 ILE C C 14 174.520 175.982 -1.462 1
1 161 . 7 1 1 A 14 14 ILE CA C 14 61.000 60.011 0.989 1
1 162 . 7 1 1 A 14 14 ILE CB C 14 40.430 39.474 0.956 1
1 166 . 7 1 1 A 14 14 ILE N N 14 123.990 127.561 -3.571 1
1 167 . 7 1 1 A 15 15 LYS H H 15 9.590 9.672 -0.082 1
1 168 . 7 1 1 A 15 15 LYS HA H 15 3.880 4.067 -0.187 1
1 177 . 7 1 1 A 15 15 LYS C C 15 176.880 176.654 0.226 1
1 178 . 7 1 1 A 15 15 LYS CA C 15 57.890 57.529 0.361 1
1 179 . 7 1 1 A 15 15 LYS CB C 15 30.550 30.278 0.272 1
1 183 . 7 1 1 A 15 15 LYS N N 15 124.930 128.599 -3.669 1
1 184 . 7 1 1 A 16 16 GLY H H 16 8.730 8.465 0.265 1
1 185 . 7 1 1 A 16 16 GLY HA2 H 16 3.670 3.899 -0.229 1
1 186 . 7 1 1 A 16 16 GLY HA3 H 16 4.230 3.900 0.330 1
1 187 . 7 1 1 A 16 16 GLY C C 16 174.360 174.400 -0.040 1
1 188 . 7 1 1 A 16 16 GLY CA C 16 45.540 45.244 0.296 1
1 189 . 7 1 1 A 16 16 GLY N N 16 104.580 105.969 -1.389 1
1 190 . 7 1 1 A 17 17 THR H H 17 8.400 8.134 0.266 1
1 191 . 7 1 1 A 17 17 THR HA H 17 4.490 4.236 0.254 1
1 196 . 7 1 1 A 17 17 THR C C 17 172.970 173.983 -1.013 1
1 197 . 7 1 1 A 17 17 THR CA C 17 62.580 63.697 -1.117 1
1 198 . 7 1 1 A 17 17 THR CB C 17 70.320 69.263 1.057 1
1 200 . 7 1 1 A 17 17 THR N N 17 120.070 117.149 2.921 1
1 201 . 7 1 1 A 18 18 LYS H H 18 8.750 8.753 -0.003 1
1 202 . 7 1 1 A 18 18 LYS HA H 18 4.920 4.799 0.121 1
1 211 . 7 1 1 A 18 18 LYS C C 18 175.860 175.250 0.610 1
1 212 . 7 1 1 A 18 18 LYS CA C 18 56.350 56.008 0.342 1
1 213 . 7 1 1 A 18 18 LYS CB C 18 32.940 33.278 -0.338 1
1 217 . 7 1 1 A 18 18 LYS N N 18 127.270 127.935 -0.665 1
1 218 . 7 1 1 A 19 19 LEU H H 19 8.750 8.880 -0.130 1
1 219 . 7 1 1 A 19 19 LEU HA H 19 4.850 5.037 -0.187 1
1 229 . 7 1 1 A 19 19 LEU C C 19 174.210 175.738 -1.528 1
1 230 . 7 1 1 A 19 19 LEU CA C 19 55.160 53.461 1.699 1
1 231 . 7 1 1 A 19 19 LEU CB C 19 43.340 46.025 -2.685 1
1 235 . 7 1 1 A 19 19 LEU N N 19 123.470 127.474 -4.004 1
1 236 . 7 1 1 A 20 20 LYS H H 20 8.660 8.380 0.280 1
1 237 . 7 1 1 A 20 20 LYS HA H 20 5.180 4.695 0.485 1
1 246 . 7 1 1 A 20 20 LYS C C 20 175.650 175.685 -0.035 1
1 247 . 7 1 1 A 20 20 LYS CA C 20 54.630 55.633 -1.003 1
1 248 . 7 1 1 A 20 20 LYS CB C 20 34.710 33.907 0.803 1
1 252 . 7 1 1 A 20 20 LYS N N 20 118.320 121.373 -3.053 1
1 253 . 7 1 1 A 21 21 ALA H H 21 8.860 8.629 0.231 1
1 254 . 7 1 1 A 21 21 ALA HA H 21 5.470 5.255 0.215 1
1 258 . 7 1 1 A 21 21 ALA C C 21 174.740 175.583 -0.843 1
1 259 . 7 1 1 A 21 21 ALA CA C 21 49.510 50.629 -1.119 1
1 260 . 7 1 1 A 21 21 ALA CB C 21 22.990 23.932 -0.942 1
1 261 . 7 1 1 A 21 21 ALA N N 21 120.460 122.885 -2.425 1
1 262 . 7 1 1 A 22 22 HIS H H 22 9.140 8.759 0.381 1
1 263 . 7 1 1 A 22 22 HIS HA H 22 5.070 5.110 -0.040 1
1 268 . 7 1 1 A 22 22 HIS C C 22 174.310 173.853 0.457 1
1 269 . 7 1 1 A 22 22 HIS CA C 22 54.040 53.891 0.149 1
1 270 . 7 1 1 A 22 22 HIS CB C 22 32.390 33.136 -0.746 1
1 272 . 7 1 1 A 22 22 HIS N N 22 119.890 113.889 6.001 1
1 273 . 7 1 1 A 23 23 TRP H H 23 9.160 9.113 0.047 1
1 274 . 7 1 1 A 23 23 TRP HA H 23 4.360 4.824 -0.464 1
1 283 . 7 1 1 A 23 23 TRP C C 23 175.070 174.720 0.350 1
1 284 . 7 1 1 A 23 23 TRP CA C 23 59.160 56.595 2.565 1
1 285 . 7 1 1 A 23 23 TRP CB C 23 30.710 30.247 0.463 1
1 291 . 7 1 1 A 23 23 TRP N N 23 126.610 126.013 0.597 1
1 293 . 7 1 1 A 24 24 ASP H H 24 7.720 7.782 -0.062 1
1 294 . 7 1 1 A 24 24 ASP HA H 24 4.880 4.854 0.026 1
1 297 . 7 1 1 A 24 24 ASP C C 24 175.340 175.766 -0.426 1
1 298 . 7 1 1 A 24 24 ASP CA C 24 53.030 52.464 0.566 1
1 299 . 7 1 1 A 24 24 ASP CB C 24 43.510 42.202 1.308 1
1 300 . 7 1 1 A 24 24 ASP N N 24 126.750 128.092 -1.342 1
1 301 . 7 1 1 A 25 25 SER H H 25 8.490 8.370 0.120 1
1 302 . 7 1 1 A 25 25 SER HA H 25 3.580 3.413 0.167 1
1 305 . 7 1 1 A 25 25 SER C C 25 175.340 176.681 -1.341 1
1 306 . 7 1 1 A 25 25 SER CA C 25 60.640 60.907 -0.267 1
1 307 . 7 1 1 A 25 25 SER CB C 25 62.990 62.623 0.367 1
1 308 . 7 1 1 A 25 25 SER N N 25 119.220 121.100 -1.880 1
1 309 . 7 1 1 A 26 26 GLY H H 26 8.670 8.240 0.430 1
1 310 . 7 1 1 A 26 26 GLY HA2 H 26 3.630 3.813 -0.183 1
1 311 . 7 1 1 A 26 26 GLY HA3 H 26 4.200 3.819 0.381 1
1 312 . 7 1 1 A 26 26 GLY C C 26 174.190 174.783 -0.593 1
1 313 . 7 1 1 A 26 26 GLY CA C 26 44.760 47.119 -2.359 1
1 314 . 7 1 1 A 26 26 GLY N N 26 109.290 106.946 2.344 1
1 315 . 7 1 1 A 27 27 ALA H H 27 7.550 7.335 0.215 1
1 316 . 7 1 1 A 27 27 ALA HA H 27 4.370 4.241 0.129 1
1 320 . 7 1 1 A 27 27 ALA C C 27 178.430 178.130 0.300 1
1 321 . 7 1 1 A 27 27 ALA CA C 27 52.240 52.307 -0.067 1
1 322 . 7 1 1 A 27 27 ALA CB C 27 18.240 19.251 -1.011 1
1 323 . 7 1 1 A 27 27 ALA N N 27 124.840 122.884 1.956 1
1 324 . 7 1 1 A 28 28 THR H H 28 8.260 8.782 -0.522 1
1 325 . 7 1 1 A 28 28 THR HA H 28 4.230 4.509 -0.279 1
1 330 . 7 1 1 A 28 28 THR C C 28 173.830 174.373 -0.543 1
1 331 . 7 1 1 A 28 28 THR CA C 28 62.180 61.309 0.871 1
1 332 . 7 1 1 A 28 28 THR CB C 28 69.240 69.772 -0.532 1
1 333 . 7 1 1 A 28 28 THR N N 28 112.480 111.817 0.663 1
1 334 . 7 1 1 A 29 29 ILE H H 29 7.460 7.461 -0.001 1
1 335 . 7 1 1 A 29 29 ILE HA H 29 4.540 4.749 -0.209 1
1 345 . 7 1 1 A 29 29 ILE C C 29 173.440 174.332 -0.892 1
1 346 . 7 1 1 A 29 29 ILE CA C 29 60.540 59.590 0.950 1
1 347 . 7 1 1 A 29 29 ILE CB C 29 40.780 42.067 -1.287 1
1 351 . 7 1 1 A 29 29 ILE N N 29 118.820 122.080 -3.260 1
1 352 . 7 1 1 A 30 30 THR H H 30 9.380 8.738 0.642 1
1 353 . 7 1 1 A 30 30 THR HA H 30 4.870 4.493 0.377 1
1 358 . 7 1 1 A 30 30 THR C C 30 173.600 173.829 -0.229 1
1 359 . 7 1 1 A 30 30 THR CA C 30 64.280 62.798 1.482 1
1 360 . 7 1 1 A 30 30 THR CB C 30 69.840 69.552 0.288 1
1 361 . 7 1 1 A 30 30 THR N N 30 129.290 121.552 7.738 1
1 362 . 7 1 1 A 31 31 CYS H H 31 9.180 8.596 0.584 1
1 363 . 7 1 1 A 31 31 CYS HA H 31 5.530 5.207 0.323 1
1 366 . 7 1 1 A 31 31 CYS C C 31 174.420 173.048 1.372 1
1 367 . 7 1 1 A 31 31 CYS CA C 31 56.540 57.276 -0.736 1
1 368 . 7 1 1 A 31 31 CYS CB C 31 30.780 30.816 -0.036 1
1 369 . 7 1 1 A 31 31 CYS N N 31 122.220 125.950 -3.730 1
1 370 . 7 1 1 A 32 32 VAL H H 32 9.090 8.664 0.426 1
1 371 . 7 1 1 A 32 32 VAL HA H 32 4.710 4.821 -0.111 1
1 379 . 7 1 1 A 32 32 VAL CA C 32 57.300 57.792 -0.492 1
1 380 . 7 1 1 A 32 32 VAL CB C 32 32.860 34.018 -1.158 1
1 383 . 7 1 1 A 32 32 VAL N N 32 117.890 119.277 -1.387 1
1 384 . 7 1 1 A 33 33 PRO HA H 33 4.530 5.237 -0.707 1
1 391 . 7 1 1 A 33 33 PRO C C 33 178.110 177.811 0.299 1
1 392 . 7 1 1 A 33 33 PRO CA C 33 64.140 62.558 1.582 1
1 393 . 7 1 1 A 33 33 PRO CB C 33 32.200 31.928 0.272 1
1 396 . 7 1 1 A 34 34 GLU H H 34 8.380 8.615 -0.235 1
1 397 . 7 1 1 A 34 34 GLU HA H 34 3.730 3.932 -0.202 1
1 402 . 7 1 1 A 34 34 GLU C C 34 177.830 178.327 -0.497 1
1 403 . 7 1 1 A 34 34 GLU CA C 34 59.480 59.597 -0.117 1
1 404 . 7 1 1 A 34 34 GLU CB C 34 29.860 29.455 0.405 1
1 406 . 7 1 1 A 34 34 GLU N N 34 122.200 124.650 -2.450 1
1 407 . 7 1 1 A 35 35 ALA H H 35 9.050 8.214 0.836 1
1 408 . 7 1 1 A 35 35 ALA HA H 35 4.030 4.021 0.009 1
1 412 . 7 1 1 A 35 35 ALA C C 35 180.250 178.835 1.415 1
1 413 . 7 1 1 A 35 35 ALA CA C 35 54.850 54.811 0.039 1
1 414 . 7 1 1 A 35 35 ALA CB C 35 18.160 18.528 -0.368 1
1 415 . 7 1 1 A 35 35 ALA N N 35 123.090 121.780 1.310 1
1 416 . 7 1 1 A 36 36 PHE H H 36 7.510 8.666 -1.156 1
1 417 . 7 1 1 A 36 36 PHE HA H 36 4.370 4.372 -0.002 1
1 425 . 7 1 1 A 36 36 PHE C C 36 174.870 176.942 -2.072 1
1 426 . 7 1 1 A 36 36 PHE CA C 36 60.160 59.060 1.100 1
1 427 . 7 1 1 A 36 36 PHE CB C 36 38.930 39.588 -0.658 1
1 433 . 7 1 1 A 36 36 PHE N N 36 112.030 115.742 -3.712 1
1 434 . 7 1 1 A 37 37 LEU H H 37 7.640 8.322 -0.682 1
1 435 . 7 1 1 A 37 37 LEU HA H 37 4.230 4.420 -0.190 1
1 445 . 7 1 1 A 37 37 LEU C C 37 177.380 177.364 0.016 1
1 446 . 7 1 1 A 37 37 LEU CA C 37 53.080 54.506 -1.426 1
1 447 . 7 1 1 A 37 37 LEU CB C 37 41.050 42.289 -1.239 1
1 451 . 7 1 1 A 37 37 LEU N N 37 116.800 118.279 -1.479 1
1 452 . 7 1 1 A 38 38 GLU H H 38 7.050 7.823 -0.773 1
1 453 . 7 1 1 A 38 38 GLU HA H 38 3.980 4.048 -0.068 1
1 458 . 7 1 1 A 38 38 GLU C C 38 176.630 176.939 -0.309 1
1 459 . 7 1 1 A 38 38 GLU CA C 38 59.250 59.645 -0.395 1
1 460 . 7 1 1 A 38 38 GLU CB C 38 29.870 29.544 0.326 1
1 462 . 7 1 1 A 38 38 GLU N N 38 121.260 120.265 0.995 1
1 463 . 7 1 1 A 39 39 ASP H H 39 8.690 7.761 0.929 1
1 464 . 7 1 1 A 39 39 ASP HA H 39 4.700 4.899 -0.199 1
1 467 . 7 1 1 A 39 39 ASP C C 39 175.570 175.129 0.441 1
1 468 . 7 1 1 A 39 39 ASP CA C 39 53.760 53.929 -0.169 1
1 469 . 7 1 1 A 39 39 ASP CB C 39 40.010 42.021 -2.011 1
1 470 . 7 1 1 A 39 39 ASP N N 39 115.590 117.381 -1.791 1
1 471 . 7 1 1 A 40 40 GLU H H 40 7.460 8.531 -1.071 1
1 472 . 7 1 1 A 40 40 GLU HA H 40 4.720 4.979 -0.259 1
1 477 . 7 1 1 A 40 40 GLU C C 40 175.660 176.092 -0.432 1
1 478 . 7 1 1 A 40 40 GLU CA C 40 54.240 54.817 -0.577 1
1 479 . 7 1 1 A 40 40 GLU CB C 40 31.240 31.399 -0.159 1
1 481 . 7 1 1 A 40 40 GLU N N 40 118.210 118.035 0.175 1
1 482 . 7 1 1 A 41 41 ARG H H 41 9.130 9.240 -0.110 1
1 483 . 7 1 1 A 41 41 ARG HA H 41 5.080 5.151 -0.071 1
1 490 . 7 1 1 A 41 41 ARG CA C 41 52.540 53.565 -1.025 1
1 491 . 7 1 1 A 41 41 ARG CB C 41 31.240 33.012 -1.772 1
1 494 . 7 1 1 A 41 41 ARG N N 41 121.830 119.254 2.576 1
1 495 . 7 1 1 A 42 42 PRO HA H 42 3.840 3.710 0.130 1
1 502 . 7 1 1 A 42 42 PRO C C 42 177.180 177.246 -0.066 1
1 503 . 7 1 1 A 42 42 PRO CA C 42 63.010 61.915 1.095 1
1 504 . 7 1 1 A 42 42 PRO CB C 42 32.490 31.206 1.284 1
1 507 . 7 1 1 A 43 43 ILE H H 43 9.110 8.141 0.969 1
1 508 . 7 1 1 A 43 43 ILE HA H 43 4.410 3.932 0.478 1
1 518 . 7 1 1 A 43 43 ILE C C 43 176.220 175.932 0.288 1
1 519 . 7 1 1 A 43 43 ILE CA C 43 61.480 63.127 -1.647 1
1 520 . 7 1 1 A 43 43 ILE CB C 43 39.510 38.152 1.358 1
1 524 . 7 1 1 A 43 43 ILE N N 43 115.610 119.883 -4.273 1
1 525 . 7 1 1 A 44 44 GLN H H 44 7.750 7.595 0.155 1
1 526 . 7 1 1 A 44 44 GLN HA H 44 4.610 4.716 -0.106 1
1 533 . 7 1 1 A 44 44 GLN C C 44 173.610 174.340 -0.730 1
1 534 . 7 1 1 A 44 44 GLN CA C 44 55.140 54.447 0.693 1
1 535 . 7 1 1 A 44 44 GLN CB C 44 31.460 34.264 -2.804 1
1 537 . 7 1 1 A 44 44 GLN N N 44 118.360 119.829 -1.469 1
1 539 . 7 1 1 A 45 45 THR H H 45 8.560 8.713 -0.153 1
1 540 . 7 1 1 A 45 45 THR HA H 45 5.140 5.005 0.135 1
1 545 . 7 1 1 A 45 45 THR C C 45 177.830 173.557 4.273 1
1 546 . 7 1 1 A 45 45 THR CA C 45 61.450 59.818 1.632 1
1 547 . 7 1 1 A 45 45 THR CB C 45 71.380 71.823 -0.443 1
1 549 . 7 1 1 A 45 45 THR N N 45 115.470 112.390 3.080 1
1 550 . 7 1 1 A 46 46 MET H H 46 9.100 9.515 -0.415 1
1 551 . 7 1 1 A 46 46 MET HA H 46 4.730 5.124 -0.394 1
1 556 . 7 1 1 A 46 46 MET C C 46 173.520 173.836 -0.316 1
1 557 . 7 1 1 A 46 46 MET CA C 46 54.560 54.308 0.252 1
1 558 . 7 1 1 A 46 46 MET CB C 46 36.500 37.184 -0.684 1
1 560 . 7 1 1 A 46 46 MET N N 46 123.160 121.371 1.789 1
1 561 . 7 1 1 A 47 47 LEU H H 47 8.490 8.942 -0.452 1
1 562 . 7 1 1 A 47 47 LEU HA H 47 4.730 5.088 -0.358 1
1 572 . 7 1 1 A 47 47 LEU C C 47 176.210 174.835 1.375 1
1 573 . 7 1 1 A 47 47 LEU CA C 47 54.440 53.504 0.936 1
1 574 . 7 1 1 A 47 47 LEU CB C 47 42.540 44.498 -1.958 1
1 578 . 7 1 1 A 47 47 LEU N N 47 124.300 125.339 -1.039 1
1 579 . 7 1 1 A 48 48 ILE H H 48 8.990 9.230 -0.240 1
1 580 . 7 1 1 A 48 48 ILE HA H 48 4.430 5.007 -0.577 1
1 590 . 7 1 1 A 48 48 ILE C C 48 175.040 174.251 0.789 1
1 591 . 7 1 1 A 48 48 ILE CA C 48 59.150 59.859 -0.709 1
1 592 . 7 1 1 A 48 48 ILE CB C 48 39.910 40.631 -0.721 1
1 596 . 7 1 1 A 48 48 ILE N N 48 125.760 127.987 -2.227 1
1 597 . 7 1 1 A 49 49 LYS H H 49 8.710 8.973 -0.263 1
1 598 . 7 1 1 A 49 49 LYS HA H 49 4.550 5.322 -0.772 1
1 607 . 7 1 1 A 49 49 LYS C C 49 176.060 175.019 1.041 1
1 608 . 7 1 1 A 49 49 LYS CA C 49 56.570 54.645 1.925 1
1 609 . 7 1 1 A 49 49 LYS CB C 49 33.010 36.109 -3.099 1
1 613 . 7 1 1 A 49 49 LYS N N 49 126.480 128.247 -1.767 1
1 614 . 7 1 1 A 50 50 THR H H 50 8.150 9.034 -0.884 1
1 615 . 7 1 1 A 50 50 THR HA H 50 4.860 5.107 -0.247 1
1 620 . 7 1 1 A 50 50 THR CA C 50 60.030 59.051 0.979 1
1 621 . 7 1 1 A 50 50 THR CB C 50 72.820 72.072 0.748 1
1 623 . 7 1 1 A 50 50 THR N N 50 116.220 117.145 -0.925 1
1 624 . 7 1 1 A 51 51 ILE HA H 51 4.400 3.917 0.483 1
1 634 . 7 1 1 A 51 51 ILE C C 51 176.140 176.882 -0.742 1
1 635 . 7 1 1 A 51 51 ILE CA C 51 63.450 64.629 -1.179 1
1 636 . 7 1 1 A 51 51 ILE CB C 51 37.970 37.751 0.219 1
1 640 . 7 1 1 A 52 52 HIS H H 52 7.820 7.848 -0.028 1
1 641 . 7 1 1 A 52 52 HIS HA H 52 4.830 4.274 0.556 1
1 644 . 7 1 1 A 52 52 HIS C C 52 175.190 175.333 -0.143 1
1 645 . 7 1 1 A 52 52 HIS CA C 52 55.670 58.960 -3.290 1
1 646 . 7 1 1 A 52 52 HIS CB C 52 31.260 30.557 0.703 1
1 647 . 7 1 1 A 52 52 HIS N N 52 118.280 121.087 -2.807 1
1 648 . 7 1 1 A 53 53 GLY H H 53 7.590 7.260 0.330 1
1 649 . 7 1 1 A 53 53 GLY HA2 H 53 3.880 3.906 -0.026 1
1 650 . 7 1 1 A 53 53 GLY HA3 H 53 4.510 3.920 0.590 1
1 651 . 7 1 1 A 53 53 GLY C C 53 173.360 171.555 1.805 1
1 652 . 7 1 1 A 53 53 GLY CA C 53 44.510 45.760 -1.250 1
1 653 . 7 1 1 A 53 53 GLY N N 53 108.490 105.382 3.108 1
1 654 . 7 1 1 A 54 54 GLU H H 54 8.710 8.463 0.247 1
1 655 . 7 1 1 A 54 54 GLU HA H 54 5.050 4.744 0.306 1
1 660 . 7 1 1 A 54 54 GLU C C 54 175.890 175.528 0.362 1
1 661 . 7 1 1 A 54 54 GLU CA C 54 55.980 55.755 0.225 1
1 662 . 7 1 1 A 54 54 GLU CB C 54 31.610 31.132 0.478 1
1 664 . 7 1 1 A 54 54 GLU N N 54 121.850 120.615 1.235 1
1 665 . 7 1 1 A 55 55 LYS H H 55 8.930 9.103 -0.173 1
1 666 . 7 1 1 A 55 55 LYS HA H 55 4.670 5.017 -0.347 1
1 675 . 7 1 1 A 55 55 LYS C C 55 174.630 174.787 -0.157 1
1 676 . 7 1 1 A 55 55 LYS CA C 55 54.750 54.534 0.216 1
1 677 . 7 1 1 A 55 55 LYS CB C 55 35.910 35.517 0.393 1
1 681 . 7 1 1 A 55 55 LYS N N 55 123.380 123.408 -0.028 1
1 682 . 7 1 1 A 56 56 GLN H H 56 8.670 8.914 -0.244 1
1 683 . 7 1 1 A 56 56 GLN HA H 56 4.820 5.055 -0.235 1
1 688 . 7 1 1 A 56 56 GLN C C 56 175.780 174.109 1.671 1
1 689 . 7 1 1 A 56 56 GLN CA C 56 55.500 54.235 1.265 1
1 690 . 7 1 1 A 56 56 GLN CB C 56 29.470 32.242 -2.772 1
1 692 . 7 1 1 A 56 56 GLN N N 56 122.950 122.928 0.022 1
1 693 . 7 1 1 A 57 57 GLN H H 57 9.210 8.832 0.378 1
1 694 . 7 1 1 A 57 57 GLN HA H 57 4.740 5.277 -0.537 1
1 701 . 7 1 1 A 57 57 GLN C C 57 174.100 174.159 -0.059 1
1 702 . 7 1 1 A 57 57 GLN CA C 57 54.760 54.174 0.586 1
1 703 . 7 1 1 A 57 57 GLN CB C 57 32.670 32.329 0.341 1
1 705 . 7 1 1 A 57 57 GLN N N 57 125.030 127.329 -2.299 1
1 707 . 7 1 1 A 58 58 ASP H H 58 8.570 9.189 -0.619 1
1 708 . 7 1 1 A 58 58 ASP HA H 58 4.860 5.296 -0.436 1
1 711 . 7 1 1 A 58 58 ASP C C 58 173.690 175.225 -1.535 1
1 712 . 7 1 1 A 58 58 ASP CA C 58 55.090 53.035 2.055 1
1 713 . 7 1 1 A 58 58 ASP CB C 58 42.120 44.771 -2.651 1
1 714 . 7 1 1 A 58 58 ASP N N 58 124.680 124.808 -0.128 1
1 715 . 7 1 1 A 59 59 VAL H H 59 8.480 8.864 -0.384 1
1 716 . 7 1 1 A 59 59 VAL HA H 59 4.610 4.954 -0.344 1
1 724 . 7 1 1 A 59 59 VAL C C 59 174.600 174.485 0.115 1
1 725 . 7 1 1 A 59 59 VAL CA C 59 61.130 60.568 0.562 1
1 726 . 7 1 1 A 59 59 VAL CB C 59 34.250 33.673 0.577 1
1 729 . 7 1 1 A 59 59 VAL N N 59 121.270 117.955 3.315 1
1 730 . 7 1 1 A 60 60 TYR H H 60 9.390 8.976 0.414 1
1 731 . 7 1 1 A 60 60 TYR HA H 60 4.800 5.011 -0.211 1
1 738 . 7 1 1 A 60 60 TYR C C 60 173.840 174.289 -0.449 1
1 739 . 7 1 1 A 60 60 TYR CA C 60 56.840 56.716 0.124 1
1 740 . 7 1 1 A 60 60 TYR CB C 60 41.190 41.469 -0.279 1
1 745 . 7 1 1 A 60 60 TYR N N 60 125.760 121.852 3.908 1
1 746 . 7 1 1 A 61 61 TYR H H 61 9.300 9.071 0.229 1
1 747 . 7 1 1 A 61 61 TYR HA H 61 5.370 5.118 0.252 1
1 754 . 7 1 1 A 61 61 TYR C C 61 174.300 174.452 -0.152 1
1 755 . 7 1 1 A 61 61 TYR CA C 61 57.490 57.369 0.121 1
1 756 . 7 1 1 A 61 61 TYR CB C 61 40.900 39.268 1.632 1
1 761 . 7 1 1 A 61 61 TYR N N 61 122.890 125.984 -3.094 1
1 762 . 7 1 1 A 62 62 LEU H H 62 8.770 9.040 -0.270 1
1 763 . 7 1 1 A 62 62 LEU HA H 62 4.780 5.146 -0.366 1
1 773 . 7 1 1 A 62 62 LEU C C 62 174.070 175.976 -1.906 1
1 774 . 7 1 1 A 62 62 LEU CA C 62 53.760 53.464 0.296 1
1 775 . 7 1 1 A 62 62 LEU CB C 62 49.020 45.902 3.118 1
1 779 . 7 1 1 A 62 62 LEU N N 62 129.700 128.958 0.742 1
1 780 . 7 1 1 A 63 63 THR H H 63 7.960 8.722 -0.762 1
1 781 . 7 1 1 A 63 63 THR HA H 63 5.410 5.138 0.272 1
1 786 . 7 1 1 A 63 63 THR C C 63 173.860 174.229 -0.369 1
1 787 . 7 1 1 A 63 63 THR CA C 63 60.850 61.181 -0.331 1
1 788 . 7 1 1 A 63 63 THR CB C 63 69.790 70.852 -1.062 1
1 790 . 7 1 1 A 63 63 THR N N 63 118.460 115.799 2.661 1
1 791 . 7 1 1 A 64 64 PHE H H 64 9.270 8.584 0.686 1
1 792 . 7 1 1 A 64 64 PHE HA H 64 5.100 5.297 -0.197 1
1 800 . 7 1 1 A 64 64 PHE C C 64 172.280 172.620 -0.340 1
1 801 . 7 1 1 A 64 64 PHE CA C 64 56.020 55.533 0.487 1
1 802 . 7 1 1 A 64 64 PHE CB C 64 38.350 41.777 -3.427 1
1 808 . 7 1 1 A 64 64 PHE N N 64 123.960 122.643 1.317 1
1 809 . 7 1 1 A 65 65 LYS H H 65 8.750 8.632 0.118 1
1 810 . 7 1 1 A 65 65 LYS HA H 65 5.500 5.070 0.430 1
1 819 . 7 1 1 A 65 65 LYS C C 65 176.300 175.800 0.500 1
1 820 . 7 1 1 A 65 65 LYS CA C 65 54.900 55.647 -0.747 1
1 821 . 7 1 1 A 65 65 LYS CB C 65 37.730 33.950 3.780 1
1 825 . 7 1 1 A 65 65 LYS N N 65 117.930 119.535 -1.605 1
1 826 . 7 1 1 A 66 66 VAL H H 66 8.840 9.608 -0.768 1
1 827 . 7 1 1 A 66 66 VAL HA H 66 4.520 4.609 -0.089 1
1 835 . 7 1 1 A 66 66 VAL C C 66 175.550 176.066 -0.516 1
1 836 . 7 1 1 A 66 66 VAL CA C 66 62.130 61.344 0.786 1
1 837 . 7 1 1 A 66 66 VAL CB C 66 35.100 32.177 2.923 1
1 840 . 7 1 1 A 66 66 VAL N N 66 119.330 125.093 -5.763 1
1 841 . 7 1 1 A 67 67 GLN H H 67 9.690 9.282 0.408 1
1 842 . 7 1 1 A 67 67 GLN HA H 67 4.050 4.093 -0.043 1
1 849 . 7 1 1 A 67 67 GLN C C 67 176.300 176.268 0.032 1
1 850 . 7 1 1 A 67 67 GLN CA C 67 56.720 57.181 -0.461 1
1 851 . 7 1 1 A 67 67 GLN CB C 67 28.230 26.843 1.387 1
1 853 . 7 1 1 A 67 67 GLN N N 67 125.930 128.585 -2.655 1
1 855 . 7 1 1 A 68 68 GLY H H 68 8.980 8.682 0.298 1
1 856 . 7 1 1 A 68 68 GLY HA2 H 68 3.510 3.880 -0.370 1
1 857 . 7 1 1 A 68 68 GLY HA3 H 68 4.140 3.886 0.254 1
1 858 . 7 1 1 A 68 68 GLY C C 68 173.410 173.704 -0.294 1
1 859 . 7 1 1 A 68 68 GLY CA C 68 45.460 45.914 -0.454 1
1 860 . 7 1 1 A 68 68 GLY N N 68 103.510 104.366 -0.856 1
1 861 . 7 1 1 A 69 69 ARG H H 69 8.070 7.799 0.271 1
1 862 . 7 1 1 A 69 69 ARG HA H 69 4.400 4.646 -0.246 1
1 869 . 7 1 1 A 69 69 ARG C C 69 174.880 174.625 0.255 1
1 870 . 7 1 1 A 69 69 ARG CA C 69 54.730 54.160 0.570 1
1 871 . 7 1 1 A 69 69 ARG CB C 69 31.520 33.228 -1.708 1
1 874 . 7 1 1 A 69 69 ARG N N 69 122.680 119.522 3.158 1
1 875 . 7 1 1 A 70 70 LYS H H 70 8.390 8.537 -0.147 1
1 876 . 7 1 1 A 70 70 LYS HA H 70 4.220 4.435 -0.215 1
1 885 . 7 1 1 A 70 70 LYS C C 70 175.330 174.917 0.413 1
1 886 . 7 1 1 A 70 70 LYS CA C 70 57.860 56.665 1.195 1
1 887 . 7 1 1 A 70 70 LYS CB C 70 32.790 32.846 -0.056 1
1 891 . 7 1 1 A 70 70 LYS N N 70 123.590 125.590 -2.000 1
1 892 . 7 1 1 A 71 71 VAL H H 71 9.050 8.354 0.696 1
1 893 . 7 1 1 A 71 71 VAL HA H 71 4.140 4.663 -0.523 1
1 901 . 7 1 1 A 71 71 VAL C C 71 173.310 174.169 -0.859 1
1 902 . 7 1 1 A 71 71 VAL CA C 71 61.370 60.512 0.858 1
1 903 . 7 1 1 A 71 71 VAL CB C 71 34.610 35.434 -0.824 1
1 906 . 7 1 1 A 71 71 VAL N N 71 128.340 126.670 1.670 1
1 907 . 7 1 1 A 72 72 GLU H H 72 8.150 8.842 -0.692 1
1 908 . 7 1 1 A 72 72 GLU HA H 72 4.970 5.180 -0.210 1
1 913 . 7 1 1 A 72 72 GLU C C 72 174.910 175.195 -0.285 1
1 914 . 7 1 1 A 72 72 GLU CA C 72 54.490 54.655 -0.165 1
1 915 . 7 1 1 A 72 72 GLU CB C 72 31.410 33.096 -1.686 1
1 917 . 7 1 1 A 72 72 GLU N N 72 124.430 124.983 -0.553 1
1 918 . 7 1 1 A 73 73 ALA H H 73 8.420 8.010 0.410 1
1 919 . 7 1 1 A 73 73 ALA HA H 73 4.770 4.796 -0.026 1
1 923 . 7 1 1 A 73 73 ALA C C 73 175.140 175.910 -0.770 1
1 924 . 7 1 1 A 73 73 ALA CA C 73 51.050 50.907 0.143 1
1 925 . 7 1 1 A 73 73 ALA CB C 73 23.060 23.011 0.049 1
1 926 . 7 1 1 A 73 73 ALA N N 73 124.790 122.738 2.052 1
1 927 . 7 1 1 A 74 74 GLU H H 74 8.520 8.462 0.058 1
1 928 . 7 1 1 A 74 74 GLU HA H 74 5.260 5.102 0.158 1
1 933 . 7 1 1 A 74 74 GLU C C 74 176.570 175.778 0.792 1
1 934 . 7 1 1 A 74 74 GLU CA C 74 55.770 56.806 -1.036 1
1 935 . 7 1 1 A 74 74 GLU CB C 74 29.840 30.932 -1.092 1
1 937 . 7 1 1 A 74 74 GLU N N 74 120.480 118.661 1.819 1
1 938 . 7 1 1 A 75 75 VAL H H 75 9.240 8.896 0.344 1
1 939 . 7 1 1 A 75 75 VAL HA H 75 5.730 5.107 0.623 1
1 947 . 7 1 1 A 75 75 VAL C C 75 174.700 173.638 1.062 1
1 948 . 7 1 1 A 75 75 VAL CA C 75 57.950 60.205 -2.255 1
1 949 . 7 1 1 A 75 75 VAL CB C 75 36.540 35.674 0.866 1
1 952 . 7 1 1 A 75 75 VAL N N 75 113.070 121.526 -8.456 1
1 953 . 7 1 1 A 76 76 LEU H H 76 8.420 8.602 -0.182 1
1 954 . 7 1 1 A 76 76 LEU HA H 76 5.110 5.257 -0.147 1
1 964 . 7 1 1 A 76 76 LEU C C 76 176.970 175.162 1.808 1
1 965 . 7 1 1 A 76 76 LEU CA C 76 52.370 53.043 -0.673 1
1 966 . 7 1 1 A 76 76 LEU CB C 76 45.230 45.907 -0.677 1
1 970 . 7 1 1 A 76 76 LEU N N 76 117.790 126.709 -8.919 1
1 971 . 7 1 1 A 77 77 ALA H H 77 8.930 8.569 0.361 1
1 972 . 7 1 1 A 77 77 ALA HA H 77 4.500 4.697 -0.197 1
1 976 . 7 1 1 A 77 77 ALA C C 77 177.950 176.731 1.219 1
1 977 . 7 1 1 A 77 77 ALA CA C 77 52.090 52.175 -0.085 1
1 978 . 7 1 1 A 77 77 ALA CB C 77 20.280 19.497 0.783 1
1 979 . 7 1 1 A 77 77 ALA N N 77 122.210 128.715 -6.505 1
1 980 . 7 1 1 A 78 78 SER H H 78 8.380 8.541 -0.161 1
1 981 . 7 1 1 A 78 78 SER HA H 78 5.010 4.936 0.074 1
1 984 . 7 1 1 A 78 78 SER CA C 78 54.230 55.365 -1.135 1
1 985 . 7 1 1 A 78 78 SER CB C 78 66.050 66.059 -0.009 1
1 986 . 7 1 1 A 78 78 SER N N 78 117.830 116.388 1.442 1
1 987 . 7 1 1 A 79 79 PRO HA H 79 4.660 4.495 0.165 1
1 994 . 7 1 1 A 79 79 PRO C C 79 176.150 175.937 0.213 1
1 995 . 7 1 1 A 79 79 PRO CA C 79 62.860 63.313 -0.453 1
1 996 . 7 1 1 A 79 79 PRO CB C 79 31.230 31.890 -0.660 1
1 999 . 7 1 1 A 80 80 TYR H H 80 7.380 7.348 0.032 1
1 1000 . 7 1 1 A 80 80 TYR HA H 80 4.710 4.704 0.006 1
1 1007 . 7 1 1 A 80 80 TYR C C 80 175.550 175.146 0.404 1
1 1008 . 7 1 1 A 80 80 TYR CA C 80 56.150 57.587 -1.437 1
1 1009 . 7 1 1 A 80 80 TYR CB C 80 38.490 38.991 -0.501 1
1 1014 . 7 1 1 A 80 80 TYR N N 80 120.860 120.587 0.273 1
1 1015 . 7 1 1 A 81 81 ASP H H 81 8.290 9.348 -1.058 1
1 1016 . 7 1 1 A 81 81 ASP HA H 81 4.640 5.041 -0.401 1
1 1019 . 7 1 1 A 81 81 ASP C C 81 175.290 175.060 0.230 1
1 1020 . 7 1 1 A 81 81 ASP CA C 81 53.560 54.299 -0.739 1
1 1021 . 7 1 1 A 81 81 ASP CB C 81 40.650 41.954 -1.304 1
1 1022 . 7 1 1 A 81 81 ASP N N 81 115.600 119.994 -4.394 1
1 1023 . 7 1 1 A 82 82 TYR H H 82 6.680 7.636 -0.956 1
1 1024 . 7 1 1 A 82 82 TYR HA H 82 5.160 5.049 0.111 1
1 1031 . 7 1 1 A 82 82 TYR C C 82 173.930 172.734 1.196 1
1 1032 . 7 1 1 A 82 82 TYR CA C 82 53.190 55.937 -2.747 1
1 1033 . 7 1 1 A 82 82 TYR CB C 82 40.820 41.393 -0.573 1
1 1038 . 7 1 1 A 82 82 TYR N N 82 116.100 116.740 -0.640 1
1 1039 . 7 1 1 A 83 83 ILE H H 83 8.900 8.784 0.116 1
1 1040 . 7 1 1 A 83 83 ILE HA H 83 4.480 4.538 -0.058 1
1 1050 . 7 1 1 A 83 83 ILE C C 83 175.160 174.882 0.278 1
1 1051 . 7 1 1 A 83 83 ILE CA C 83 60.940 59.804 1.136 1
1 1052 . 7 1 1 A 83 83 ILE CB C 83 40.980 41.366 -0.386 1
1 1056 . 7 1 1 A 83 83 ILE N N 83 119.050 119.166 -0.116 1
1 1057 . 7 1 1 A 84 84 LEU H H 84 8.740 9.197 -0.457 1
1 1058 . 7 1 1 A 84 84 LEU HA H 84 5.140 4.735 0.405 1
1 1068 . 7 1 1 A 84 84 LEU C C 84 174.920 176.287 -1.367 1
1 1069 . 7 1 1 A 84 84 LEU CA C 84 53.800 54.321 -0.521 1
1 1070 . 7 1 1 A 84 84 LEU CB C 84 44.100 42.609 1.491 1
1 1074 . 7 1 1 A 84 84 LEU N N 84 130.660 127.793 2.867 1
1 1075 . 7 1 1 A 85 85 LEU H H 85 9.010 9.177 -0.167 1
1 1076 . 7 1 1 A 85 85 LEU HA H 85 4.470 4.877 -0.407 1
1 1086 . 7 1 1 A 85 85 LEU C C 85 174.660 175.569 -0.909 1
1 1087 . 7 1 1 A 85 85 LEU CA C 85 54.080 53.344 0.736 1
1 1088 . 7 1 1 A 85 85 LEU CB C 85 44.350 44.660 -0.310 1
1 1092 . 7 1 1 A 85 85 LEU N N 85 125.210 124.823 0.387 1
1 1093 . 7 1 1 A 86 86 ASN H H 86 8.370 8.647 -0.277 1
1 1094 . 7 1 1 A 86 86 ASN HA H 86 4.680 4.986 -0.306 1
1 1099 . 7 1 1 A 86 86 ASN CA C 86 49.780 49.846 -0.066 1
1 1100 . 7 1 1 A 86 86 ASN CB C 86 38.890 40.279 -1.389 1
1 1101 . 7 1 1 A 86 86 ASN N N 86 122.970 121.875 1.095 1
1 1103 . 7 1 1 A 87 87 PRO HA H 87 3.600 4.610 -1.010 1
1 1110 . 7 1 1 A 87 87 PRO C C 87 178.740 178.426 0.314 1
1 1111 . 7 1 1 A 87 87 PRO CA C 87 65.050 64.745 0.305 1
1 1112 . 7 1 1 A 87 87 PRO CB C 87 33.160 32.144 1.016 1
1 1115 . 7 1 1 A 88 88 SER H H 88 7.580 9.300 -1.720 1
1 1116 . 7 1 1 A 88 88 SER HA H 88 4.100 4.263 -0.163 1
1 1119 . 7 1 1 A 88 88 SER C C 88 175.480 176.588 -1.108 1
1 1120 . 7 1 1 A 88 88 SER CA C 88 60.730 61.196 -0.466 1
1 1121 . 7 1 1 A 88 88 SER CB C 88 62.870 63.155 -0.285 1
1 1122 . 7 1 1 A 88 88 SER N N 88 109.530 113.734 -4.204 1
1 1123 . 7 1 1 A 89 89 ASP H H 89 8.170 8.258 -0.088 1
1 1124 . 7 1 1 A 89 89 ASP HA H 89 4.770 4.584 0.186 1
1 1127 . 7 1 1 A 89 89 ASP C C 89 175.730 177.005 -1.275 1
1 1128 . 7 1 1 A 89 89 ASP CA C 89 56.030 56.703 -0.673 1
1 1129 . 7 1 1 A 89 89 ASP CB C 89 41.380 41.255 0.125 1
1 1130 . 7 1 1 A 89 89 ASP N N 89 118.600 120.425 -1.825 1
1 1131 . 7 1 1 A 90 90 VAL H H 90 7.050 7.170 -0.120 1
1 1132 . 7 1 1 A 90 90 VAL HA H 90 4.050 3.085 0.965 1
1 1140 . 7 1 1 A 90 90 VAL CA C 90 56.960 58.380 -1.420 1
1 1141 . 7 1 1 A 90 90 VAL CB C 90 31.710 31.227 0.483 1
1 1144 . 7 1 1 A 90 90 VAL N N 90 109.580 112.968 -3.388 1
1 1145 . 7 1 1 A 91 91 PRO HA H 91 4.250 4.423 -0.173 1
1 1152 . 7 1 1 A 91 91 PRO C C 91 176.870 177.540 -0.670 1
1 1153 . 7 1 1 A 91 91 PRO CA C 91 65.190 64.412 0.778 1
1 1154 . 7 1 1 A 91 91 PRO CB C 91 31.470 31.836 -0.366 1
1 1157 . 7 1 1 A 92 92 TRP H H 92 6.720 7.723 -1.003 1
1 1158 . 7 1 1 A 92 92 TRP HA H 92 4.570 4.448 0.122 1
1 1167 . 7 1 1 A 92 92 TRP C C 92 176.630 178.183 -1.553 1
1 1168 . 7 1 1 A 92 92 TRP CA C 92 56.910 59.733 -2.823 1
1 1169 . 7 1 1 A 92 92 TRP CB C 92 27.990 28.419 -0.429 1
1 1175 . 7 1 1 A 92 92 TRP N N 92 115.110 117.848 -2.738 1
1 1177 . 7 1 1 A 93 93 LEU H H 93 7.150 7.271 -0.121 1
1 1178 . 7 1 1 A 93 93 LEU HA H 93 4.220 3.947 0.273 1
1 1188 . 7 1 1 A 93 93 LEU C C 93 176.210 176.527 -0.317 1
1 1189 . 7 1 1 A 93 93 LEU CA C 93 55.350 57.728 -2.378 1
1 1190 . 7 1 1 A 93 93 LEU CB C 93 42.190 41.433 0.757 1
1 1194 . 7 1 1 A 93 93 LEU N N 93 123.090 123.466 -0.376 1
1 1195 . 7 1 1 A 94 94 MET H H 94 7.730 7.582 0.148 1
1 1196 . 7 1 1 A 94 94 MET HA H 94 4.340 4.345 -0.005 1
1 1201 . 7 1 1 A 94 94 MET C C 94 175.550 176.790 -1.240 1
1 1202 . 7 1 1 A 94 94 MET CA C 94 55.120 54.786 0.334 1
1 1203 . 7 1 1 A 94 94 MET CB C 94 32.630 32.560 0.070 1
1 1205 . 7 1 1 A 94 94 MET N N 94 118.250 117.270 0.980 1
1 1206 . 7 1 1 A 95 95 LYS H H 95 7.950 8.730 -0.780 1
1 1207 . 7 1 1 A 95 95 LYS HA H 95 4.260 3.927 0.333 1
1 1210 . 7 1 1 A 95 95 LYS C C 95 176.130 176.334 -0.204 1
1 1211 . 7 1 1 A 95 95 LYS CA C 95 56.150 59.640 -3.490 1
1 1212 . 7 1 1 A 95 95 LYS CB C 95 33.010 32.402 0.608 1
1 1213 . 7 1 1 A 95 95 LYS N N 95 121.650 124.115 -2.465 1
1 1214 . 7 1 1 A 96 96 LYS H H 96 8.260 7.767 0.493 1
1 1215 . 7 1 1 A 96 96 LYS N N 96 123.570 115.251 8.319 1
1 1216 . 7 1 1 A 97 97 PRO HA H 97 4.530 4.671 -0.141 1
1 1219 . 7 1 1 A 97 97 PRO C C 97 176.830 175.684 1.146 1
1 1220 . 7 1 1 A 97 97 PRO CA C 97 63.180 62.748 0.432 1
1 1221 . 7 1 1 A 97 97 PRO CB C 97 32.050 32.549 -0.499 1
1 88 . 8 1 1 A 9 9 PRO HA H 9 4.410 4.405 0.005 1
1 95 . 8 1 1 A 9 9 PRO C C 9 176.460 176.763 -0.303 1
1 96 . 8 1 1 A 9 9 PRO CA C 9 63.030 62.299 0.731 1
1 97 . 8 1 1 A 9 9 PRO CB C 9 32.210 32.099 0.111 1
1 100 . 8 1 1 A 10 10 LEU H H 10 9.190 8.737 0.453 1
1 101 . 8 1 1 A 10 10 LEU HA H 10 4.640 4.586 0.054 1
1 111 . 8 1 1 A 10 10 LEU C C 10 176.620 176.487 0.133 1
1 112 . 8 1 1 A 10 10 LEU CA C 10 53.420 54.256 -0.836 1
1 113 . 8 1 1 A 10 10 LEU CB C 10 44.290 42.563 1.727 1
1 117 . 8 1 1 A 10 10 LEU N N 10 123.060 122.485 0.575 1
1 118 . 8 1 1 A 11 11 GLU H H 11 8.720 8.652 0.068 1
1 119 . 8 1 1 A 11 11 GLU HA H 11 4.490 5.147 -0.657 1
1 124 . 8 1 1 A 11 11 GLU C C 11 176.620 175.303 1.317 1
1 125 . 8 1 1 A 11 11 GLU CA C 11 57.060 55.336 1.724 1
1 126 . 8 1 1 A 11 11 GLU CB C 11 30.820 32.056 -1.236 1
1 128 . 8 1 1 A 11 11 GLU N N 11 121.330 121.665 -0.335 1
1 129 . 8 1 1 A 12 12 ALA H H 12 8.760 8.649 0.111 1
1 130 . 8 1 1 A 12 12 ALA HA H 12 5.390 5.254 0.136 1
1 134 . 8 1 1 A 12 12 ALA C C 12 176.040 175.408 0.632 1
1 135 . 8 1 1 A 12 12 ALA CA C 12 50.350 51.037 -0.687 1
1 136 . 8 1 1 A 12 12 ALA CB C 12 24.490 23.886 0.604 1
1 137 . 8 1 1 A 12 12 ALA N N 12 127.010 128.198 -1.188 1
1 138 . 8 1 1 A 13 13 GLU H H 13 8.850 8.774 0.076 1
1 139 . 8 1 1 A 13 13 GLU HA H 13 5.240 5.641 -0.401 1
1 144 . 8 1 1 A 13 13 GLU C C 13 175.320 175.593 -0.273 1
1 145 . 8 1 1 A 13 13 GLU CA C 13 55.580 55.006 0.574 1
1 146 . 8 1 1 A 13 13 GLU CB C 13 34.410 32.083 2.327 1
1 148 . 8 1 1 A 13 13 GLU N N 13 119.980 119.549 0.431 1
1 149 . 8 1 1 A 14 14 ILE H H 14 8.420 8.684 -0.264 1
1 150 . 8 1 1 A 14 14 ILE HA H 14 4.210 4.663 -0.453 1
1 160 . 8 1 1 A 14 14 ILE C C 14 174.520 175.995 -1.475 1
1 161 . 8 1 1 A 14 14 ILE CA C 14 61.000 59.947 1.053 1
1 162 . 8 1 1 A 14 14 ILE CB C 14 40.430 39.145 1.285 1
1 166 . 8 1 1 A 14 14 ILE N N 14 123.990 125.039 -1.049 1
1 167 . 8 1 1 A 15 15 LYS H H 15 9.590 9.660 -0.070 1
1 168 . 8 1 1 A 15 15 LYS HA H 15 3.880 4.066 -0.186 1
1 177 . 8 1 1 A 15 15 LYS C C 15 176.880 176.739 0.141 1
1 178 . 8 1 1 A 15 15 LYS CA C 15 57.890 57.542 0.348 1
1 179 . 8 1 1 A 15 15 LYS CB C 15 30.550 30.320 0.230 1
1 183 . 8 1 1 A 15 15 LYS N N 15 124.930 128.507 -3.577 1
1 184 . 8 1 1 A 16 16 GLY H H 16 8.730 8.547 0.183 1
1 185 . 8 1 1 A 16 16 GLY HA2 H 16 3.670 3.862 -0.192 1
1 186 . 8 1 1 A 16 16 GLY HA3 H 16 4.230 3.864 0.366 1
1 187 . 8 1 1 A 16 16 GLY C C 16 174.360 174.061 0.299 1
1 188 . 8 1 1 A 16 16 GLY CA C 16 45.540 45.330 0.210 1
1 189 . 8 1 1 A 16 16 GLY N N 16 104.580 105.761 -1.181 1
1 190 . 8 1 1 A 17 17 THR H H 17 8.400 8.357 0.043 1
1 191 . 8 1 1 A 17 17 THR HA H 17 4.490 4.378 0.112 1
1 196 . 8 1 1 A 17 17 THR C C 17 172.970 173.803 -0.833 1
1 197 . 8 1 1 A 17 17 THR CA C 17 62.580 63.183 -0.603 1
1 198 . 8 1 1 A 17 17 THR CB C 17 70.320 69.551 0.769 1
1 200 . 8 1 1 A 17 17 THR N N 17 120.070 117.529 2.541 1
1 201 . 8 1 1 A 18 18 LYS H H 18 8.750 8.753 -0.003 1
1 202 . 8 1 1 A 18 18 LYS HA H 18 4.920 4.708 0.212 1
1 211 . 8 1 1 A 18 18 LYS C C 18 175.860 175.273 0.587 1
1 212 . 8 1 1 A 18 18 LYS CA C 18 56.350 56.402 -0.052 1
1 213 . 8 1 1 A 18 18 LYS CB C 18 32.940 32.884 0.056 1
1 217 . 8 1 1 A 18 18 LYS N N 18 127.270 127.846 -0.576 1
1 218 . 8 1 1 A 19 19 LEU H H 19 8.750 9.076 -0.326 1
1 219 . 8 1 1 A 19 19 LEU HA H 19 4.850 5.074 -0.224 1
1 229 . 8 1 1 A 19 19 LEU C C 19 174.210 176.017 -1.807 1
1 230 . 8 1 1 A 19 19 LEU CA C 19 55.160 53.466 1.694 1
1 231 . 8 1 1 A 19 19 LEU CB C 19 43.340 46.060 -2.720 1
1 235 . 8 1 1 A 19 19 LEU N N 19 123.470 127.391 -3.921 1
1 236 . 8 1 1 A 20 20 LYS H H 20 8.660 8.391 0.269 1
1 237 . 8 1 1 A 20 20 LYS HA H 20 5.180 4.681 0.499 1
1 246 . 8 1 1 A 20 20 LYS C C 20 175.650 175.732 -0.082 1
1 247 . 8 1 1 A 20 20 LYS CA C 20 54.630 55.787 -1.157 1
1 248 . 8 1 1 A 20 20 LYS CB C 20 34.710 33.570 1.140 1
1 252 . 8 1 1 A 20 20 LYS N N 20 118.320 121.533 -3.213 1
1 253 . 8 1 1 A 21 21 ALA H H 21 8.860 8.507 0.353 1
1 254 . 8 1 1 A 21 21 ALA HA H 21 5.470 5.643 -0.173 1
1 258 . 8 1 1 A 21 21 ALA C C 21 174.740 175.699 -0.959 1
1 259 . 8 1 1 A 21 21 ALA CA C 21 49.510 50.282 -0.772 1
1 260 . 8 1 1 A 21 21 ALA CB C 21 22.990 23.967 -0.977 1
1 261 . 8 1 1 A 21 21 ALA N N 21 120.460 123.329 -2.869 1
1 262 . 8 1 1 A 22 22 HIS H H 22 9.140 9.237 -0.097 1
1 263 . 8 1 1 A 22 22 HIS HA H 22 5.070 5.401 -0.331 1
1 268 . 8 1 1 A 22 22 HIS C C 22 174.310 174.029 0.281 1
1 269 . 8 1 1 A 22 22 HIS CA C 22 54.040 52.883 1.157 1
1 270 . 8 1 1 A 22 22 HIS CB C 22 32.390 33.612 -1.222 1
1 272 . 8 1 1 A 22 22 HIS N N 22 119.890 117.418 2.472 1
1 273 . 8 1 1 A 23 23 TRP H H 23 9.160 9.165 -0.005 1
1 274 . 8 1 1 A 23 23 TRP HA H 23 4.360 5.059 -0.699 1
1 283 . 8 1 1 A 23 23 TRP C C 23 175.070 174.619 0.451 1
1 284 . 8 1 1 A 23 23 TRP CA C 23 59.160 55.932 3.228 1
1 285 . 8 1 1 A 23 23 TRP CB C 23 30.710 31.390 -0.680 1
1 291 . 8 1 1 A 23 23 TRP N N 23 126.610 125.731 0.879 1
1 293 . 8 1 1 A 24 24 ASP H H 24 7.720 7.897 -0.177 1
1 294 . 8 1 1 A 24 24 ASP HA H 24 4.880 4.810 0.070 1
1 297 . 8 1 1 A 24 24 ASP C C 24 175.340 175.539 -0.199 1
1 298 . 8 1 1 A 24 24 ASP CA C 24 53.030 52.381 0.649 1
1 299 . 8 1 1 A 24 24 ASP CB C 24 43.510 42.173 1.337 1
1 300 . 8 1 1 A 24 24 ASP N N 24 126.750 128.498 -1.748 1
1 301 . 8 1 1 A 25 25 SER H H 25 8.490 8.414 0.076 1
1 302 . 8 1 1 A 25 25 SER HA H 25 3.580 3.469 0.111 1
1 305 . 8 1 1 A 25 25 SER C C 25 175.340 176.044 -0.704 1
1 306 . 8 1 1 A 25 25 SER CA C 25 60.640 60.741 -0.101 1
1 307 . 8 1 1 A 25 25 SER CB C 25 62.990 62.878 0.112 1
1 308 . 8 1 1 A 25 25 SER N N 25 119.220 119.332 -0.112 1
1 309 . 8 1 1 A 26 26 GLY H H 26 8.670 8.244 0.426 1
1 310 . 8 1 1 A 26 26 GLY HA2 H 26 3.630 3.843 -0.213 1
1 311 . 8 1 1 A 26 26 GLY HA3 H 26 4.200 3.849 0.351 1
1 312 . 8 1 1 A 26 26 GLY C C 26 174.190 174.571 -0.381 1
1 313 . 8 1 1 A 26 26 GLY CA C 26 44.760 46.655 -1.895 1
1 314 . 8 1 1 A 26 26 GLY N N 26 109.290 109.971 -0.681 1
1 315 . 8 1 1 A 27 27 ALA H H 27 7.550 7.360 0.190 1
1 316 . 8 1 1 A 27 27 ALA HA H 27 4.370 4.262 0.108 1
1 320 . 8 1 1 A 27 27 ALA C C 27 178.430 178.226 0.204 1
1 321 . 8 1 1 A 27 27 ALA CA C 27 52.240 52.352 -0.112 1
1 322 . 8 1 1 A 27 27 ALA CB C 27 18.240 19.210 -0.970 1
1 323 . 8 1 1 A 27 27 ALA N N 27 124.840 123.199 1.641 1
1 324 . 8 1 1 A 28 28 THR H H 28 8.260 8.782 -0.522 1
1 325 . 8 1 1 A 28 28 THR HA H 28 4.230 4.474 -0.244 1
1 330 . 8 1 1 A 28 28 THR C C 28 173.830 174.294 -0.464 1
1 331 . 8 1 1 A 28 28 THR CA C 28 62.180 61.728 0.452 1
1 332 . 8 1 1 A 28 28 THR CB C 28 69.240 69.627 -0.387 1
1 333 . 8 1 1 A 28 28 THR N N 28 112.480 112.059 0.421 1
1 334 . 8 1 1 A 29 29 ILE H H 29 7.460 7.404 0.056 1
1 335 . 8 1 1 A 29 29 ILE HA H 29 4.540 4.708 -0.168 1
1 345 . 8 1 1 A 29 29 ILE C C 29 173.440 174.266 -0.826 1
1 346 . 8 1 1 A 29 29 ILE CA C 29 60.540 59.472 1.068 1
1 347 . 8 1 1 A 29 29 ILE CB C 29 40.780 42.075 -1.295 1
1 351 . 8 1 1 A 29 29 ILE N N 29 118.820 121.982 -3.162 1
1 352 . 8 1 1 A 30 30 THR H H 30 9.380 8.745 0.635 1
1 353 . 8 1 1 A 30 30 THR HA H 30 4.870 4.539 0.331 1
1 358 . 8 1 1 A 30 30 THR C C 30 173.600 173.959 -0.359 1
1 359 . 8 1 1 A 30 30 THR CA C 30 64.280 62.700 1.580 1
1 360 . 8 1 1 A 30 30 THR CB C 30 69.840 69.727 0.113 1
1 361 . 8 1 1 A 30 30 THR N N 30 129.290 120.924 8.366 1
1 362 . 8 1 1 A 31 31 CYS H H 31 9.180 8.601 0.579 1
1 363 . 8 1 1 A 31 31 CYS HA H 31 5.530 5.212 0.318 1
1 366 . 8 1 1 A 31 31 CYS C C 31 174.420 172.704 1.716 1
1 367 . 8 1 1 A 31 31 CYS CA C 31 56.540 57.174 -0.634 1
1 368 . 8 1 1 A 31 31 CYS CB C 31 30.780 30.680 0.100 1
1 369 . 8 1 1 A 31 31 CYS N N 31 122.220 125.080 -2.860 1
1 370 . 8 1 1 A 32 32 VAL H H 32 9.090 9.141 -0.051 1
1 371 . 8 1 1 A 32 32 VAL HA H 32 4.710 4.419 0.291 1
1 379 . 8 1 1 A 32 32 VAL CA C 32 57.300 58.713 -1.413 1
1 380 . 8 1 1 A 32 32 VAL CB C 32 32.860 35.355 -2.495 1
1 383 . 8 1 1 A 32 32 VAL N N 32 117.890 125.217 -7.327 1
1 384 . 8 1 1 A 33 33 PRO HA H 33 4.530 5.237 -0.707 1
1 391 . 8 1 1 A 33 33 PRO C C 33 178.110 177.796 0.314 1
1 392 . 8 1 1 A 33 33 PRO CA C 33 64.140 62.526 1.614 1
1 393 . 8 1 1 A 33 33 PRO CB C 33 32.200 31.998 0.202 1
1 396 . 8 1 1 A 34 34 GLU H H 34 8.380 8.612 -0.232 1
1 397 . 8 1 1 A 34 34 GLU HA H 34 3.730 3.904 -0.174 1
1 402 . 8 1 1 A 34 34 GLU C C 34 177.830 178.275 -0.445 1
1 403 . 8 1 1 A 34 34 GLU CA C 34 59.480 59.575 -0.095 1
1 404 . 8 1 1 A 34 34 GLU CB C 34 29.860 29.438 0.422 1
1 406 . 8 1 1 A 34 34 GLU N N 34 122.200 124.577 -2.377 1
1 407 . 8 1 1 A 35 35 ALA H H 35 9.050 8.073 0.977 1
1 408 . 8 1 1 A 35 35 ALA HA H 35 4.030 4.005 0.025 1
1 412 . 8 1 1 A 35 35 ALA C C 35 180.250 178.887 1.363 1
1 413 . 8 1 1 A 35 35 ALA CA C 35 54.850 54.789 0.061 1
1 414 . 8 1 1 A 35 35 ALA CB C 35 18.160 18.599 -0.439 1
1 415 . 8 1 1 A 35 35 ALA N N 35 123.090 122.113 0.977 1
1 416 . 8 1 1 A 36 36 PHE H H 36 7.510 8.775 -1.265 1
1 417 . 8 1 1 A 36 36 PHE HA H 36 4.370 4.411 -0.041 1
1 425 . 8 1 1 A 36 36 PHE C C 36 174.870 176.945 -2.075 1
1 426 . 8 1 1 A 36 36 PHE CA C 36 60.160 58.517 1.643 1
1 427 . 8 1 1 A 36 36 PHE CB C 36 38.930 39.204 -0.274 1
1 433 . 8 1 1 A 36 36 PHE N N 36 112.030 115.831 -3.801 1
1 434 . 8 1 1 A 37 37 LEU H H 37 7.640 8.367 -0.727 1
1 435 . 8 1 1 A 37 37 LEU HA H 37 4.230 4.398 -0.168 1
1 445 . 8 1 1 A 37 37 LEU C C 37 177.380 177.320 0.060 1
1 446 . 8 1 1 A 37 37 LEU CA C 37 53.080 54.623 -1.543 1
1 447 . 8 1 1 A 37 37 LEU CB C 37 41.050 42.142 -1.092 1
1 451 . 8 1 1 A 37 37 LEU N N 37 116.800 117.758 -0.958 1
1 452 . 8 1 1 A 38 38 GLU H H 38 7.050 7.809 -0.759 1
1 453 . 8 1 1 A 38 38 GLU HA H 38 3.980 4.005 -0.025 1
1 458 . 8 1 1 A 38 38 GLU C C 38 176.630 177.128 -0.498 1
1 459 . 8 1 1 A 38 38 GLU CA C 38 59.250 58.896 0.354 1
1 460 . 8 1 1 A 38 38 GLU CB C 38 29.870 29.575 0.295 1
1 462 . 8 1 1 A 38 38 GLU N N 38 121.260 121.042 0.218 1
1 463 . 8 1 1 A 39 39 ASP H H 39 8.690 8.161 0.529 1
1 464 . 8 1 1 A 39 39 ASP HA H 39 4.700 4.761 -0.061 1
1 467 . 8 1 1 A 39 39 ASP C C 39 175.570 175.701 -0.131 1
1 468 . 8 1 1 A 39 39 ASP CA C 39 53.760 52.972 0.788 1
1 469 . 8 1 1 A 39 39 ASP CB C 39 40.010 41.163 -1.153 1
1 470 . 8 1 1 A 39 39 ASP N N 39 115.590 115.415 0.175 1
1 471 . 8 1 1 A 40 40 GLU H H 40 7.460 8.284 -0.824 1
1 472 . 8 1 1 A 40 40 GLU HA H 40 4.720 4.865 -0.145 1
1 477 . 8 1 1 A 40 40 GLU C C 40 175.660 175.741 -0.081 1
1 478 . 8 1 1 A 40 40 GLU CA C 40 54.240 54.881 -0.641 1
1 479 . 8 1 1 A 40 40 GLU CB C 40 31.240 31.873 -0.633 1
1 481 . 8 1 1 A 40 40 GLU N N 40 118.210 119.403 -1.193 1
1 482 . 8 1 1 A 41 41 ARG H H 41 9.130 8.774 0.356 1
1 483 . 8 1 1 A 41 41 ARG HA H 41 5.080 5.115 -0.035 1
1 490 . 8 1 1 A 41 41 ARG CA C 41 52.540 52.642 -0.102 1
1 491 . 8 1 1 A 41 41 ARG CB C 41 31.240 32.716 -1.476 1
1 494 . 8 1 1 A 41 41 ARG N N 41 121.830 120.189 1.641 1
1 495 . 8 1 1 A 42 42 PRO HA H 42 3.840 3.964 -0.124 1
1 502 . 8 1 1 A 42 42 PRO C C 42 177.180 177.199 -0.019 1
1 503 . 8 1 1 A 42 42 PRO CA C 42 63.010 61.851 1.159 1
1 504 . 8 1 1 A 42 42 PRO CB C 42 32.490 31.424 1.066 1
1 507 . 8 1 1 A 43 43 ILE H H 43 9.110 7.865 1.245 1
1 508 . 8 1 1 A 43 43 ILE HA H 43 4.410 4.092 0.318 1
1 518 . 8 1 1 A 43 43 ILE C C 43 176.220 176.074 0.146 1
1 519 . 8 1 1 A 43 43 ILE CA C 43 61.480 61.997 -0.517 1
1 520 . 8 1 1 A 43 43 ILE CB C 43 39.510 38.399 1.111 1
1 524 . 8 1 1 A 43 43 ILE N N 43 115.610 118.183 -2.573 1
1 525 . 8 1 1 A 44 44 GLN H H 44 7.750 7.583 0.167 1
1 526 . 8 1 1 A 44 44 GLN HA H 44 4.610 4.791 -0.181 1
1 533 . 8 1 1 A 44 44 GLN C C 44 173.610 174.135 -0.525 1
1 534 . 8 1 1 A 44 44 GLN CA C 44 55.140 54.251 0.889 1
1 535 . 8 1 1 A 44 44 GLN CB C 44 31.460 34.068 -2.608 1
1 537 . 8 1 1 A 44 44 GLN N N 44 118.360 119.702 -1.342 1
1 539 . 8 1 1 A 45 45 THR H H 45 8.560 8.728 -0.168 1
1 540 . 8 1 1 A 45 45 THR HA H 45 5.140 5.026 0.114 1
1 545 . 8 1 1 A 45 45 THR C C 45 177.830 173.753 4.077 1
1 546 . 8 1 1 A 45 45 THR CA C 45 61.450 59.983 1.467 1
1 547 . 8 1 1 A 45 45 THR CB C 45 71.380 71.804 -0.424 1
1 549 . 8 1 1 A 45 45 THR N N 45 115.470 112.638 2.832 1
1 550 . 8 1 1 A 46 46 MET H H 46 9.100 9.031 0.069 1
1 551 . 8 1 1 A 46 46 MET HA H 46 4.730 5.027 -0.297 1
1 556 . 8 1 1 A 46 46 MET C C 46 173.520 173.809 -0.289 1
1 557 . 8 1 1 A 46 46 MET CA C 46 54.560 54.340 0.220 1
1 558 . 8 1 1 A 46 46 MET CB C 46 36.500 37.145 -0.645 1
1 560 . 8 1 1 A 46 46 MET N N 46 123.160 121.219 1.941 1
1 561 . 8 1 1 A 47 47 LEU H H 47 8.490 8.826 -0.336 1
1 562 . 8 1 1 A 47 47 LEU HA H 47 4.730 5.004 -0.274 1
1 572 . 8 1 1 A 47 47 LEU C C 47 176.210 174.645 1.565 1
1 573 . 8 1 1 A 47 47 LEU CA C 47 54.440 53.690 0.750 1
1 574 . 8 1 1 A 47 47 LEU CB C 47 42.540 44.613 -2.073 1
1 578 . 8 1 1 A 47 47 LEU N N 47 124.300 125.969 -1.669 1
1 579 . 8 1 1 A 48 48 ILE H H 48 8.990 9.309 -0.319 1
1 580 . 8 1 1 A 48 48 ILE HA H 48 4.430 4.958 -0.528 1
1 590 . 8 1 1 A 48 48 ILE C C 48 175.040 174.588 0.452 1
1 591 . 8 1 1 A 48 48 ILE CA C 48 59.150 59.974 -0.824 1
1 592 . 8 1 1 A 48 48 ILE CB C 48 39.910 41.032 -1.122 1
1 596 . 8 1 1 A 48 48 ILE N N 48 125.760 127.527 -1.767 1
1 597 . 8 1 1 A 49 49 LYS H H 49 8.710 9.037 -0.327 1
1 598 . 8 1 1 A 49 49 LYS HA H 49 4.550 5.006 -0.456 1
1 607 . 8 1 1 A 49 49 LYS C C 49 176.060 175.858 0.202 1
1 608 . 8 1 1 A 49 49 LYS CA C 49 56.570 54.968 1.602 1
1 609 . 8 1 1 A 49 49 LYS CB C 49 33.010 35.395 -2.385 1
1 613 . 8 1 1 A 49 49 LYS N N 49 126.480 126.634 -0.154 1
1 614 . 8 1 1 A 50 50 THR H H 50 8.150 9.020 -0.870 1
1 615 . 8 1 1 A 50 50 THR HA H 50 4.860 5.088 -0.228 1
1 620 . 8 1 1 A 50 50 THR CA C 50 60.030 59.042 0.988 1
1 621 . 8 1 1 A 50 50 THR CB C 50 72.820 72.070 0.750 1
1 623 . 8 1 1 A 50 50 THR N N 50 116.220 113.947 2.273 1
1 624 . 8 1 1 A 51 51 ILE HA H 51 4.400 3.913 0.487 1
1 634 . 8 1 1 A 51 51 ILE C C 51 176.140 176.885 -0.745 1
1 635 . 8 1 1 A 51 51 ILE CA C 51 63.450 64.758 -1.308 1
1 636 . 8 1 1 A 51 51 ILE CB C 51 37.970 37.812 0.158 1
1 640 . 8 1 1 A 52 52 HIS H H 52 7.820 7.941 -0.121 1
1 641 . 8 1 1 A 52 52 HIS HA H 52 4.830 4.246 0.584 1
1 644 . 8 1 1 A 52 52 HIS C C 52 175.190 175.335 -0.145 1
1 645 . 8 1 1 A 52 52 HIS CA C 52 55.670 58.977 -3.307 1
1 646 . 8 1 1 A 52 52 HIS CB C 52 31.260 30.390 0.870 1
1 647 . 8 1 1 A 52 52 HIS N N 52 118.280 121.000 -2.720 1
1 648 . 8 1 1 A 53 53 GLY H H 53 7.590 7.307 0.283 1
1 649 . 8 1 1 A 53 53 GLY HA2 H 53 3.880 3.960 -0.080 1
1 650 . 8 1 1 A 53 53 GLY HA3 H 53 4.510 4.009 0.501 1
1 651 . 8 1 1 A 53 53 GLY C C 53 173.360 171.405 1.955 1
1 652 . 8 1 1 A 53 53 GLY CA C 53 44.510 45.830 -1.320 1
1 653 . 8 1 1 A 53 53 GLY N N 53 108.490 105.629 2.861 1
1 654 . 8 1 1 A 54 54 GLU H H 54 8.710 8.492 0.218 1
1 655 . 8 1 1 A 54 54 GLU HA H 54 5.050 4.831 0.219 1
1 660 . 8 1 1 A 54 54 GLU C C 54 175.890 175.714 0.176 1
1 661 . 8 1 1 A 54 54 GLU CA C 54 55.980 55.556 0.424 1
1 662 . 8 1 1 A 54 54 GLU CB C 54 31.610 31.616 -0.006 1
1 664 . 8 1 1 A 54 54 GLU N N 54 121.850 120.220 1.630 1
1 665 . 8 1 1 A 55 55 LYS H H 55 8.930 9.269 -0.339 1
1 666 . 8 1 1 A 55 55 LYS HA H 55 4.670 5.174 -0.504 1
1 675 . 8 1 1 A 55 55 LYS C C 55 174.630 174.382 0.248 1
1 676 . 8 1 1 A 55 55 LYS CA C 55 54.750 54.889 -0.139 1
1 677 . 8 1 1 A 55 55 LYS CB C 55 35.910 36.334 -0.424 1
1 681 . 8 1 1 A 55 55 LYS N N 55 123.380 124.164 -0.784 1
1 682 . 8 1 1 A 56 56 GLN H H 56 8.670 8.958 -0.288 1
1 683 . 8 1 1 A 56 56 GLN HA H 56 4.820 5.136 -0.316 1
1 688 . 8 1 1 A 56 56 GLN C C 56 175.780 174.694 1.086 1
1 689 . 8 1 1 A 56 56 GLN CA C 56 55.500 54.127 1.373 1
1 690 . 8 1 1 A 56 56 GLN CB C 56 29.470 32.220 -2.750 1
1 692 . 8 1 1 A 56 56 GLN N N 56 122.950 123.767 -0.817 1
1 693 . 8 1 1 A 57 57 GLN H H 57 9.210 8.620 0.590 1
1 694 . 8 1 1 A 57 57 GLN HA H 57 4.740 4.991 -0.251 1
1 701 . 8 1 1 A 57 57 GLN C C 57 174.100 174.096 0.004 1
1 702 . 8 1 1 A 57 57 GLN CA C 57 54.760 54.878 -0.118 1
1 703 . 8 1 1 A 57 57 GLN CB C 57 32.670 32.422 0.248 1
1 705 . 8 1 1 A 57 57 GLN N N 57 125.030 125.052 -0.022 1
1 707 . 8 1 1 A 58 58 ASP H H 58 8.570 8.983 -0.413 1
1 708 . 8 1 1 A 58 58 ASP HA H 58 4.860 5.285 -0.425 1
1 711 . 8 1 1 A 58 58 ASP C C 58 173.690 176.418 -2.728 1
1 712 . 8 1 1 A 58 58 ASP CA C 58 55.090 53.281 1.809 1
1 713 . 8 1 1 A 58 58 ASP CB C 58 42.120 42.835 -0.715 1
1 714 . 8 1 1 A 58 58 ASP N N 58 124.680 121.337 3.343 1
1 715 . 8 1 1 A 59 59 VAL H H 59 8.480 8.895 -0.415 1
1 716 . 8 1 1 A 59 59 VAL HA H 59 4.610 4.625 -0.015 1
1 724 . 8 1 1 A 59 59 VAL C C 59 174.600 175.377 -0.777 1
1 725 . 8 1 1 A 59 59 VAL CA C 59 61.130 61.670 -0.540 1
1 726 . 8 1 1 A 59 59 VAL CB C 59 34.250 32.269 1.981 1
1 729 . 8 1 1 A 59 59 VAL N N 59 121.270 122.775 -1.505 1
1 730 . 8 1 1 A 60 60 TYR H H 60 9.390 8.873 0.517 1
1 731 . 8 1 1 A 60 60 TYR HA H 60 4.800 5.007 -0.207 1
1 738 . 8 1 1 A 60 60 TYR C C 60 173.840 174.218 -0.378 1
1 739 . 8 1 1 A 60 60 TYR CA C 60 56.840 56.692 0.148 1
1 740 . 8 1 1 A 60 60 TYR CB C 60 41.190 42.352 -1.162 1
1 745 . 8 1 1 A 60 60 TYR N N 60 125.760 124.725 1.035 1
1 746 . 8 1 1 A 61 61 TYR H H 61 9.300 9.055 0.245 1
1 747 . 8 1 1 A 61 61 TYR HA H 61 5.370 5.115 0.255 1
1 754 . 8 1 1 A 61 61 TYR C C 61 174.300 174.381 -0.081 1
1 755 . 8 1 1 A 61 61 TYR CA C 61 57.490 56.987 0.503 1
1 756 . 8 1 1 A 61 61 TYR CB C 61 40.900 40.489 0.411 1
1 761 . 8 1 1 A 61 61 TYR N N 61 122.890 125.407 -2.517 1
1 762 . 8 1 1 A 62 62 LEU H H 62 8.770 8.835 -0.065 1
1 763 . 8 1 1 A 62 62 LEU HA H 62 4.780 5.121 -0.341 1
1 773 . 8 1 1 A 62 62 LEU C C 62 174.070 175.783 -1.713 1
1 774 . 8 1 1 A 62 62 LEU CA C 62 53.760 53.342 0.418 1
1 775 . 8 1 1 A 62 62 LEU CB C 62 49.020 45.901 3.119 1
1 779 . 8 1 1 A 62 62 LEU N N 62 129.700 129.062 0.638 1
1 780 . 8 1 1 A 63 63 THR H H 63 7.960 8.705 -0.745 1
1 781 . 8 1 1 A 63 63 THR HA H 63 5.410 5.015 0.395 1
1 786 . 8 1 1 A 63 63 THR C C 63 173.860 174.132 -0.272 1
1 787 . 8 1 1 A 63 63 THR CA C 63 60.850 61.214 -0.364 1
1 788 . 8 1 1 A 63 63 THR CB C 63 69.790 70.733 -0.943 1
1 790 . 8 1 1 A 63 63 THR N N 63 118.460 115.868 2.592 1
1 791 . 8 1 1 A 64 64 PHE H H 64 9.270 8.435 0.835 1
1 792 . 8 1 1 A 64 64 PHE HA H 64 5.100 5.619 -0.519 1
1 800 . 8 1 1 A 64 64 PHE C C 64 172.280 172.626 -0.346 1
1 801 . 8 1 1 A 64 64 PHE CA C 64 56.020 55.134 0.886 1
1 802 . 8 1 1 A 64 64 PHE CB C 64 38.350 42.354 -4.004 1
1 808 . 8 1 1 A 64 64 PHE N N 64 123.960 123.100 0.860 1
1 809 . 8 1 1 A 65 65 LYS H H 65 8.750 8.867 -0.117 1
1 810 . 8 1 1 A 65 65 LYS HA H 65 5.500 4.992 0.508 1
1 819 . 8 1 1 A 65 65 LYS C C 65 176.300 175.811 0.489 1
1 820 . 8 1 1 A 65 65 LYS CA C 65 54.900 55.835 -0.935 1
1 821 . 8 1 1 A 65 65 LYS CB C 65 37.730 33.827 3.903 1
1 825 . 8 1 1 A 65 65 LYS N N 65 117.930 119.793 -1.863 1
1 826 . 8 1 1 A 66 66 VAL H H 66 8.840 9.443 -0.603 1
1 827 . 8 1 1 A 66 66 VAL HA H 66 4.520 4.613 -0.093 1
1 835 . 8 1 1 A 66 66 VAL C C 66 175.550 175.961 -0.411 1
1 836 . 8 1 1 A 66 66 VAL CA C 66 62.130 61.265 0.865 1
1 837 . 8 1 1 A 66 66 VAL CB C 66 35.100 32.105 2.995 1
1 840 . 8 1 1 A 66 66 VAL N N 66 119.330 125.176 -5.846 1
1 841 . 8 1 1 A 67 67 GLN H H 67 9.690 9.281 0.409 1
1 842 . 8 1 1 A 67 67 GLN HA H 67 4.050 4.096 -0.046 1
1 849 . 8 1 1 A 67 67 GLN C C 67 176.300 176.282 0.018 1
1 850 . 8 1 1 A 67 67 GLN CA C 67 56.720 57.214 -0.494 1
1 851 . 8 1 1 A 67 67 GLN CB C 67 28.230 26.952 1.278 1
1 853 . 8 1 1 A 67 67 GLN N N 67 125.930 128.686 -2.756 1
1 855 . 8 1 1 A 68 68 GLY H H 68 8.980 8.721 0.259 1
1 856 . 8 1 1 A 68 68 GLY HA2 H 68 3.510 3.876 -0.366 1
1 857 . 8 1 1 A 68 68 GLY HA3 H 68 4.140 3.883 0.257 1
1 858 . 8 1 1 A 68 68 GLY C C 68 173.410 173.817 -0.407 1
1 859 . 8 1 1 A 68 68 GLY CA C 68 45.460 45.878 -0.418 1
1 860 . 8 1 1 A 68 68 GLY N N 68 103.510 104.181 -0.671 1
1 861 . 8 1 1 A 69 69 ARG H H 69 8.070 7.836 0.234 1
1 862 . 8 1 1 A 69 69 ARG HA H 69 4.400 4.629 -0.229 1
1 869 . 8 1 1 A 69 69 ARG C C 69 174.880 174.763 0.117 1
1 870 . 8 1 1 A 69 69 ARG CA C 69 54.730 54.276 0.454 1
1 871 . 8 1 1 A 69 69 ARG CB C 69 31.520 32.699 -1.179 1
1 874 . 8 1 1 A 69 69 ARG N N 69 122.680 119.763 2.917 1
1 875 . 8 1 1 A 70 70 LYS H H 70 8.390 8.708 -0.318 1
1 876 . 8 1 1 A 70 70 LYS HA H 70 4.220 4.290 -0.070 1
1 885 . 8 1 1 A 70 70 LYS C C 70 175.330 174.947 0.383 1
1 886 . 8 1 1 A 70 70 LYS CA C 70 57.860 56.871 0.989 1
1 887 . 8 1 1 A 70 70 LYS CB C 70 32.790 32.812 -0.022 1
1 891 . 8 1 1 A 70 70 LYS N N 70 123.590 126.934 -3.344 1
1 892 . 8 1 1 A 71 71 VAL H H 71 9.050 8.516 0.534 1
1 893 . 8 1 1 A 71 71 VAL HA H 71 4.140 4.547 -0.407 1
1 901 . 8 1 1 A 71 71 VAL C C 71 173.310 174.017 -0.707 1
1 902 . 8 1 1 A 71 71 VAL CA C 71 61.370 60.593 0.777 1
1 903 . 8 1 1 A 71 71 VAL CB C 71 34.610 35.338 -0.728 1
1 906 . 8 1 1 A 71 71 VAL N N 71 128.340 126.940 1.400 1
1 907 . 8 1 1 A 72 72 GLU H H 72 8.150 8.606 -0.456 1
1 908 . 8 1 1 A 72 72 GLU HA H 72 4.970 4.974 -0.004 1
1 913 . 8 1 1 A 72 72 GLU C C 72 174.910 175.534 -0.624 1
1 914 . 8 1 1 A 72 72 GLU CA C 72 54.490 54.969 -0.479 1
1 915 . 8 1 1 A 72 72 GLU CB C 72 31.410 32.182 -0.772 1
1 917 . 8 1 1 A 72 72 GLU N N 72 124.430 125.521 -1.091 1
1 918 . 8 1 1 A 73 73 ALA H H 73 8.420 8.096 0.324 1
1 919 . 8 1 1 A 73 73 ALA HA H 73 4.770 4.709 0.061 1
1 923 . 8 1 1 A 73 73 ALA C C 73 175.140 176.004 -0.864 1
1 924 . 8 1 1 A 73 73 ALA CA C 73 51.050 50.892 0.158 1
1 925 . 8 1 1 A 73 73 ALA CB C 73 23.060 23.223 -0.163 1
1 926 . 8 1 1 A 73 73 ALA N N 73 124.790 122.797 1.993 1
1 927 . 8 1 1 A 74 74 GLU H H 74 8.520 8.480 0.040 1
1 928 . 8 1 1 A 74 74 GLU HA H 74 5.260 5.201 0.059 1
1 933 . 8 1 1 A 74 74 GLU C C 74 176.570 176.495 0.075 1
1 934 . 8 1 1 A 74 74 GLU CA C 74 55.770 57.067 -1.297 1
1 935 . 8 1 1 A 74 74 GLU CB C 74 29.840 30.162 -0.322 1
1 937 . 8 1 1 A 74 74 GLU N N 74 120.480 119.298 1.182 1
1 938 . 8 1 1 A 75 75 VAL H H 75 9.240 9.903 -0.663 1
1 939 . 8 1 1 A 75 75 VAL HA H 75 5.730 5.319 0.411 1
1 947 . 8 1 1 A 75 75 VAL C C 75 174.700 174.162 0.538 1
1 948 . 8 1 1 A 75 75 VAL CA C 75 57.950 58.973 -1.023 1
1 949 . 8 1 1 A 75 75 VAL CB C 75 36.540 35.614 0.926 1
1 952 . 8 1 1 A 75 75 VAL N N 75 113.070 118.771 -5.701 1
1 953 . 8 1 1 A 76 76 LEU H H 76 8.420 8.635 -0.215 1
1 954 . 8 1 1 A 76 76 LEU HA H 76 5.110 5.065 0.045 1
1 964 . 8 1 1 A 76 76 LEU C C 76 176.970 176.244 0.726 1
1 965 . 8 1 1 A 76 76 LEU CA C 76 52.370 53.331 -0.961 1
1 966 . 8 1 1 A 76 76 LEU CB C 76 45.230 44.475 0.755 1
1 970 . 8 1 1 A 76 76 LEU N N 76 117.790 123.617 -5.827 1
1 971 . 8 1 1 A 77 77 ALA H H 77 8.930 8.449 0.481 1
1 972 . 8 1 1 A 77 77 ALA HA H 77 4.500 5.013 -0.513 1
1 976 . 8 1 1 A 77 77 ALA C C 77 177.950 176.755 1.195 1
1 977 . 8 1 1 A 77 77 ALA CA C 77 52.090 52.016 0.074 1
1 978 . 8 1 1 A 77 77 ALA CB C 77 20.280 19.514 0.766 1
1 979 . 8 1 1 A 77 77 ALA N N 77 122.210 126.979 -4.769 1
1 980 . 8 1 1 A 78 78 SER H H 78 8.380 8.188 0.192 1
1 981 . 8 1 1 A 78 78 SER HA H 78 5.010 4.856 0.154 1
1 984 . 8 1 1 A 78 78 SER CA C 78 54.230 55.586 -1.356 1
1 985 . 8 1 1 A 78 78 SER CB C 78 66.050 65.943 0.107 1
1 986 . 8 1 1 A 78 78 SER N N 78 117.830 116.350 1.480 1
1 987 . 8 1 1 A 79 79 PRO HA H 79 4.660 4.456 0.204 1
1 994 . 8 1 1 A 79 79 PRO C C 79 176.150 175.941 0.209 1
1 995 . 8 1 1 A 79 79 PRO CA C 79 62.860 63.369 -0.509 1
1 996 . 8 1 1 A 79 79 PRO CB C 79 31.230 31.535 -0.305 1
1 999 . 8 1 1 A 80 80 TYR H H 80 7.380 7.179 0.201 1
1 1000 . 8 1 1 A 80 80 TYR HA H 80 4.710 4.704 0.006 1
1 1007 . 8 1 1 A 80 80 TYR C C 80 175.550 175.434 0.116 1
1 1008 . 8 1 1 A 80 80 TYR CA C 80 56.150 57.636 -1.486 1
1 1009 . 8 1 1 A 80 80 TYR CB C 80 38.490 39.158 -0.668 1
1 1014 . 8 1 1 A 80 80 TYR N N 80 120.860 120.374 0.486 1
1 1015 . 8 1 1 A 81 81 ASP H H 81 8.290 9.428 -1.138 1
1 1016 . 8 1 1 A 81 81 ASP HA H 81 4.640 5.039 -0.399 1
1 1019 . 8 1 1 A 81 81 ASP C C 81 175.290 175.038 0.252 1
1 1020 . 8 1 1 A 81 81 ASP CA C 81 53.560 54.221 -0.661 1
1 1021 . 8 1 1 A 81 81 ASP CB C 81 40.650 41.842 -1.192 1
1 1022 . 8 1 1 A 81 81 ASP N N 81 115.600 120.737 -5.137 1
1 1023 . 8 1 1 A 82 82 TYR H H 82 6.680 7.516 -0.836 1
1 1024 . 8 1 1 A 82 82 TYR HA H 82 5.160 5.127 0.033 1
1 1031 . 8 1 1 A 82 82 TYR C C 82 173.930 172.760 1.170 1
1 1032 . 8 1 1 A 82 82 TYR CA C 82 53.190 55.759 -2.569 1
1 1033 . 8 1 1 A 82 82 TYR CB C 82 40.820 41.638 -0.818 1
1 1038 . 8 1 1 A 82 82 TYR N N 82 116.100 116.452 -0.352 1
1 1039 . 8 1 1 A 83 83 ILE H H 83 8.900 8.469 0.431 1
1 1040 . 8 1 1 A 83 83 ILE HA H 83 4.480 4.467 0.013 1
1 1050 . 8 1 1 A 83 83 ILE C C 83 175.160 174.586 0.574 1
1 1051 . 8 1 1 A 83 83 ILE CA C 83 60.940 60.342 0.598 1
1 1052 . 8 1 1 A 83 83 ILE CB C 83 40.980 40.778 0.202 1
1 1056 . 8 1 1 A 83 83 ILE N N 83 119.050 119.744 -0.694 1
1 1057 . 8 1 1 A 84 84 LEU H H 84 8.740 8.516 0.224 1
1 1058 . 8 1 1 A 84 84 LEU HA H 84 5.140 5.269 -0.129 1
1 1068 . 8 1 1 A 84 84 LEU C C 84 174.920 175.264 -0.344 1
1 1069 . 8 1 1 A 84 84 LEU CA C 84 53.800 54.506 -0.706 1
1 1070 . 8 1 1 A 84 84 LEU CB C 84 44.100 43.763 0.337 1
1 1074 . 8 1 1 A 84 84 LEU N N 84 130.660 130.073 0.587 1
1 1075 . 8 1 1 A 85 85 LEU H H 85 9.010 9.568 -0.558 1
1 1076 . 8 1 1 A 85 85 LEU HA H 85 4.470 4.762 -0.292 1
1 1086 . 8 1 1 A 85 85 LEU C C 85 174.660 175.748 -1.088 1
1 1087 . 8 1 1 A 85 85 LEU CA C 85 54.080 53.510 0.570 1
1 1088 . 8 1 1 A 85 85 LEU CB C 85 44.350 44.123 0.227 1
1 1092 . 8 1 1 A 85 85 LEU N N 85 125.210 127.459 -2.249 1
1 1093 . 8 1 1 A 86 86 ASN H H 86 8.370 8.517 -0.147 1
1 1094 . 8 1 1 A 86 86 ASN HA H 86 4.680 4.838 -0.158 1
1 1099 . 8 1 1 A 86 86 ASN CA C 86 49.780 50.532 -0.752 1
1 1100 . 8 1 1 A 86 86 ASN CB C 86 38.890 40.341 -1.451 1
1 1101 . 8 1 1 A 86 86 ASN N N 86 122.970 121.546 1.424 1
1 1103 . 8 1 1 A 87 87 PRO HA H 87 3.600 4.606 -1.006 1
1 1110 . 8 1 1 A 87 87 PRO C C 87 178.740 178.478 0.262 1
1 1111 . 8 1 1 A 87 87 PRO CA C 87 65.050 64.788 0.262 1
1 1112 . 8 1 1 A 87 87 PRO CB C 87 33.160 32.119 1.041 1
1 1115 . 8 1 1 A 88 88 SER H H 88 7.580 9.361 -1.781 1
1 1116 . 8 1 1 A 88 88 SER HA H 88 4.100 4.254 -0.154 1
1 1119 . 8 1 1 A 88 88 SER C C 88 175.480 176.512 -1.032 1
1 1120 . 8 1 1 A 88 88 SER CA C 88 60.730 61.023 -0.293 1
1 1121 . 8 1 1 A 88 88 SER CB C 88 62.870 63.192 -0.322 1
1 1122 . 8 1 1 A 88 88 SER N N 88 109.530 113.944 -4.414 1
1 1123 . 8 1 1 A 89 89 ASP H H 89 8.170 8.073 0.097 1
1 1124 . 8 1 1 A 89 89 ASP HA H 89 4.770 4.609 0.161 1
1 1127 . 8 1 1 A 89 89 ASP C C 89 175.730 177.035 -1.305 1
1 1128 . 8 1 1 A 89 89 ASP CA C 89 56.030 56.700 -0.670 1
1 1129 . 8 1 1 A 89 89 ASP CB C 89 41.380 41.492 -0.112 1
1 1130 . 8 1 1 A 89 89 ASP N N 89 118.600 120.133 -1.533 1
1 1131 . 8 1 1 A 90 90 VAL H H 90 7.050 7.273 -0.223 1
1 1132 . 8 1 1 A 90 90 VAL HA H 90 4.050 2.948 1.102 1
1 1140 . 8 1 1 A 90 90 VAL CA C 90 56.960 58.352 -1.392 1
1 1141 . 8 1 1 A 90 90 VAL CB C 90 31.710 31.137 0.573 1
1 1144 . 8 1 1 A 90 90 VAL N N 90 109.580 112.572 -2.992 1
1 1145 . 8 1 1 A 91 91 PRO HA H 91 4.250 4.430 -0.180 1
1 1152 . 8 1 1 A 91 91 PRO C C 91 176.870 177.530 -0.660 1
1 1153 . 8 1 1 A 91 91 PRO CA C 91 65.190 64.409 0.781 1
1 1154 . 8 1 1 A 91 91 PRO CB C 91 31.470 31.873 -0.403 1
1 1157 . 8 1 1 A 92 92 TRP H H 92 6.720 7.727 -1.007 1
1 1158 . 8 1 1 A 92 92 TRP HA H 92 4.570 4.453 0.117 1
1 1167 . 8 1 1 A 92 92 TRP C C 92 176.630 178.209 -1.579 1
1 1168 . 8 1 1 A 92 92 TRP CA C 92 56.910 59.480 -2.570 1
1 1169 . 8 1 1 A 92 92 TRP CB C 92 27.990 28.325 -0.335 1
1 1175 . 8 1 1 A 92 92 TRP N N 92 115.110 117.749 -2.639 1
1 1177 . 8 1 1 A 93 93 LEU H H 93 7.150 7.281 -0.131 1
1 1178 . 8 1 1 A 93 93 LEU HA H 93 4.220 3.941 0.279 1
1 1188 . 8 1 1 A 93 93 LEU C C 93 176.210 176.452 -0.242 1
1 1189 . 8 1 1 A 93 93 LEU CA C 93 55.350 57.654 -2.304 1
1 1190 . 8 1 1 A 93 93 LEU CB C 93 42.190 41.277 0.913 1
1 1194 . 8 1 1 A 93 93 LEU N N 93 123.090 123.253 -0.163 1
1 1195 . 8 1 1 A 94 94 MET H H 94 7.730 7.690 0.040 1
1 1196 . 8 1 1 A 94 94 MET HA H 94 4.340 4.255 0.085 1
1 1201 . 8 1 1 A 94 94 MET C C 94 175.550 175.808 -0.258 1
1 1202 . 8 1 1 A 94 94 MET CA C 94 55.120 54.388 0.732 1
1 1203 . 8 1 1 A 94 94 MET CB C 94 32.630 32.971 -0.341 1
1 1205 . 8 1 1 A 94 94 MET N N 94 118.250 117.359 0.891 1
1 1206 . 8 1 1 A 95 95 LYS H H 95 7.950 8.240 -0.290 1
1 1207 . 8 1 1 A 95 95 LYS HA H 95 4.260 4.375 -0.115 1
1 1210 . 8 1 1 A 95 95 LYS C C 95 176.130 176.939 -0.809 1
1 1211 . 8 1 1 A 95 95 LYS CA C 95 56.150 56.294 -0.144 1
1 1212 . 8 1 1 A 95 95 LYS CB C 95 33.010 33.112 -0.102 1
1 1213 . 8 1 1 A 95 95 LYS N N 95 121.650 124.977 -3.327 1
1 1214 . 8 1 1 A 96 96 LYS H H 96 8.260 8.505 -0.245 1
1 1215 . 8 1 1 A 96 96 LYS N N 96 123.570 125.947 -2.377 1
1 1216 . 8 1 1 A 97 97 PRO HA H 97 4.530 4.367 0.163 1
1 1219 . 8 1 1 A 97 97 PRO C C 97 176.830 176.824 0.006 1
1 1220 . 8 1 1 A 97 97 PRO CA C 97 63.180 64.212 -1.032 1
1 1221 . 8 1 1 A 97 97 PRO CB C 97 32.050 32.073 -0.023 1
1 88 . 9 1 1 A 9 9 PRO HA H 9 4.410 4.349 0.061 1
1 95 . 9 1 1 A 9 9 PRO C C 9 176.460 176.747 -0.287 1
1 96 . 9 1 1 A 9 9 PRO CA C 9 63.030 62.266 0.764 1
1 97 . 9 1 1 A 9 9 PRO CB C 9 32.210 32.070 0.140 1
1 100 . 9 1 1 A 10 10 LEU H H 10 9.190 8.891 0.299 1
1 101 . 9 1 1 A 10 10 LEU HA H 10 4.640 4.702 -0.062 1
1 111 . 9 1 1 A 10 10 LEU C C 10 176.620 176.184 0.436 1
1 112 . 9 1 1 A 10 10 LEU CA C 10 53.420 53.575 -0.155 1
1 113 . 9 1 1 A 10 10 LEU CB C 10 44.290 42.433 1.857 1
1 117 . 9 1 1 A 10 10 LEU N N 10 123.060 121.714 1.346 1
1 118 . 9 1 1 A 11 11 GLU H H 11 8.720 8.437 0.283 1
1 119 . 9 1 1 A 11 11 GLU HA H 11 4.490 5.078 -0.588 1
1 124 . 9 1 1 A 11 11 GLU C C 11 176.620 175.747 0.873 1
1 125 . 9 1 1 A 11 11 GLU CA C 11 57.060 55.091 1.969 1
1 126 . 9 1 1 A 11 11 GLU CB C 11 30.820 32.444 -1.624 1
1 128 . 9 1 1 A 11 11 GLU N N 11 121.330 118.772 2.558 1
1 129 . 9 1 1 A 12 12 ALA H H 12 8.760 8.830 -0.070 1
1 130 . 9 1 1 A 12 12 ALA HA H 12 5.390 5.399 -0.009 1
1 134 . 9 1 1 A 12 12 ALA C C 12 176.040 175.055 0.985 1
1 135 . 9 1 1 A 12 12 ALA CA C 12 50.350 51.118 -0.768 1
1 136 . 9 1 1 A 12 12 ALA CB C 12 24.490 23.502 0.988 1
1 137 . 9 1 1 A 12 12 ALA N N 12 127.010 124.114 2.896 1
1 138 . 9 1 1 A 13 13 GLU H H 13 8.850 9.051 -0.201 1
1 139 . 9 1 1 A 13 13 GLU HA H 13 5.240 5.636 -0.396 1
1 144 . 9 1 1 A 13 13 GLU C C 13 175.320 174.904 0.416 1
1 145 . 9 1 1 A 13 13 GLU CA C 13 55.580 54.924 0.656 1
1 146 . 9 1 1 A 13 13 GLU CB C 13 34.410 32.877 1.533 1
1 148 . 9 1 1 A 13 13 GLU N N 13 119.980 122.202 -2.222 1
1 149 . 9 1 1 A 14 14 ILE H H 14 8.420 8.852 -0.432 1
1 150 . 9 1 1 A 14 14 ILE HA H 14 4.210 4.656 -0.446 1
1 160 . 9 1 1 A 14 14 ILE C C 14 174.520 175.987 -1.467 1
1 161 . 9 1 1 A 14 14 ILE CA C 14 61.000 59.974 1.026 1
1 162 . 9 1 1 A 14 14 ILE CB C 14 40.430 39.615 0.815 1
1 166 . 9 1 1 A 14 14 ILE N N 14 123.990 127.101 -3.111 1
1 167 . 9 1 1 A 15 15 LYS H H 15 9.590 9.205 0.385 1
1 168 . 9 1 1 A 15 15 LYS HA H 15 3.880 4.070 -0.190 1
1 177 . 9 1 1 A 15 15 LYS C C 15 176.880 176.701 0.179 1
1 178 . 9 1 1 A 15 15 LYS CA C 15 57.890 57.529 0.361 1
1 179 . 9 1 1 A 15 15 LYS CB C 15 30.550 30.297 0.253 1
1 183 . 9 1 1 A 15 15 LYS N N 15 124.930 128.617 -3.687 1
1 184 . 9 1 1 A 16 16 GLY H H 16 8.730 8.421 0.309 1
1 185 . 9 1 1 A 16 16 GLY HA2 H 16 3.670 3.903 -0.233 1
1 186 . 9 1 1 A 16 16 GLY HA3 H 16 4.230 3.907 0.323 1
1 187 . 9 1 1 A 16 16 GLY C C 16 174.360 174.490 -0.130 1
1 188 . 9 1 1 A 16 16 GLY CA C 16 45.540 45.279 0.261 1
1 189 . 9 1 1 A 16 16 GLY N N 16 104.580 106.008 -1.428 1
1 190 . 9 1 1 A 17 17 THR H H 17 8.400 8.057 0.343 1
1 191 . 9 1 1 A 17 17 THR HA H 17 4.490 4.258 0.232 1
1 196 . 9 1 1 A 17 17 THR C C 17 172.970 174.225 -1.255 1
1 197 . 9 1 1 A 17 17 THR CA C 17 62.580 63.665 -1.085 1
1 198 . 9 1 1 A 17 17 THR CB C 17 70.320 69.460 0.860 1
1 200 . 9 1 1 A 17 17 THR N N 17 120.070 116.333 3.737 1
1 201 . 9 1 1 A 18 18 LYS H H 18 8.750 8.734 0.016 1
1 202 . 9 1 1 A 18 18 LYS HA H 18 4.920 4.997 -0.077 1
1 211 . 9 1 1 A 18 18 LYS C C 18 175.860 175.251 0.609 1
1 212 . 9 1 1 A 18 18 LYS CA C 18 56.350 55.565 0.785 1
1 213 . 9 1 1 A 18 18 LYS CB C 18 32.940 34.029 -1.089 1
1 217 . 9 1 1 A 18 18 LYS N N 18 127.270 127.460 -0.190 1
1 218 . 9 1 1 A 19 19 LEU H H 19 8.750 9.087 -0.337 1
1 219 . 9 1 1 A 19 19 LEU HA H 19 4.850 4.987 -0.137 1
1 229 . 9 1 1 A 19 19 LEU C C 19 174.210 175.618 -1.408 1
1 230 . 9 1 1 A 19 19 LEU CA C 19 55.160 53.571 1.589 1
1 231 . 9 1 1 A 19 19 LEU CB C 19 43.340 46.530 -3.190 1
1 235 . 9 1 1 A 19 19 LEU N N 19 123.470 127.242 -3.772 1
1 236 . 9 1 1 A 20 20 LYS H H 20 8.660 8.441 0.219 1
1 237 . 9 1 1 A 20 20 LYS HA H 20 5.180 4.960 0.220 1
1 246 . 9 1 1 A 20 20 LYS C C 20 175.650 175.710 -0.060 1
1 247 . 9 1 1 A 20 20 LYS CA C 20 54.630 55.398 -0.768 1
1 248 . 9 1 1 A 20 20 LYS CB C 20 34.710 34.042 0.668 1
1 252 . 9 1 1 A 20 20 LYS N N 20 118.320 120.677 -2.357 1
1 253 . 9 1 1 A 21 21 ALA H H 21 8.860 8.807 0.053 1
1 254 . 9 1 1 A 21 21 ALA HA H 21 5.470 5.420 0.050 1
1 258 . 9 1 1 A 21 21 ALA C C 21 174.740 175.732 -0.992 1
1 259 . 9 1 1 A 21 21 ALA CA C 21 49.510 50.481 -0.971 1
1 260 . 9 1 1 A 21 21 ALA CB C 21 22.990 23.976 -0.986 1
1 261 . 9 1 1 A 21 21 ALA N N 21 120.460 123.461 -3.001 1
1 262 . 9 1 1 A 22 22 HIS H H 22 9.140 9.074 0.066 1
1 263 . 9 1 1 A 22 22 HIS HA H 22 5.070 5.291 -0.221 1
1 268 . 9 1 1 A 22 22 HIS C C 22 174.310 174.011 0.299 1
1 269 . 9 1 1 A 22 22 HIS CA C 22 54.040 53.695 0.345 1
1 270 . 9 1 1 A 22 22 HIS CB C 22 32.390 33.191 -0.801 1
1 272 . 9 1 1 A 22 22 HIS N N 22 119.890 114.124 5.766 1
1 273 . 9 1 1 A 23 23 TRP H H 23 9.160 9.095 0.065 1
1 274 . 9 1 1 A 23 23 TRP HA H 23 4.360 4.759 -0.399 1
1 283 . 9 1 1 A 23 23 TRP C C 23 175.070 174.876 0.194 1
1 284 . 9 1 1 A 23 23 TRP CA C 23 59.160 57.002 2.158 1
1 285 . 9 1 1 A 23 23 TRP CB C 23 30.710 29.899 0.811 1
1 291 . 9 1 1 A 23 23 TRP N N 23 126.610 126.312 0.298 1
1 293 . 9 1 1 A 24 24 ASP H H 24 7.720 7.984 -0.264 1
1 294 . 9 1 1 A 24 24 ASP HA H 24 4.880 4.774 0.106 1
1 297 . 9 1 1 A 24 24 ASP C C 24 175.340 175.670 -0.330 1
1 298 . 9 1 1 A 24 24 ASP CA C 24 53.030 52.083 0.947 1
1 299 . 9 1 1 A 24 24 ASP CB C 24 43.510 41.665 1.845 1
1 300 . 9 1 1 A 24 24 ASP N N 24 126.750 128.709 -1.959 1
1 301 . 9 1 1 A 25 25 SER H H 25 8.490 8.151 0.339 1
1 302 . 9 1 1 A 25 25 SER HA H 25 3.580 3.413 0.167 1
1 305 . 9 1 1 A 25 25 SER C C 25 175.340 176.687 -1.347 1
1 306 . 9 1 1 A 25 25 SER CA C 25 60.640 60.967 -0.327 1
1 307 . 9 1 1 A 25 25 SER CB C 25 62.990 62.536 0.454 1
1 308 . 9 1 1 A 25 25 SER N N 25 119.220 120.921 -1.701 1
1 309 . 9 1 1 A 26 26 GLY H H 26 8.670 7.780 0.890 1
1 310 . 9 1 1 A 26 26 GLY HA2 H 26 3.630 3.831 -0.201 1
1 311 . 9 1 1 A 26 26 GLY HA3 H 26 4.200 3.834 0.366 1
1 312 . 9 1 1 A 26 26 GLY C C 26 174.190 174.735 -0.545 1
1 313 . 9 1 1 A 26 26 GLY CA C 26 44.760 46.810 -2.050 1
1 314 . 9 1 1 A 26 26 GLY N N 26 109.290 107.287 2.003 1
1 315 . 9 1 1 A 27 27 ALA H H 27 7.550 7.339 0.211 1
1 316 . 9 1 1 A 27 27 ALA HA H 27 4.370 4.220 0.150 1
1 320 . 9 1 1 A 27 27 ALA C C 27 178.430 177.224 1.206 1
1 321 . 9 1 1 A 27 27 ALA CA C 27 52.240 52.445 -0.205 1
1 322 . 9 1 1 A 27 27 ALA CB C 27 18.240 19.404 -1.164 1
1 323 . 9 1 1 A 27 27 ALA N N 27 124.840 122.915 1.925 1
1 324 . 9 1 1 A 28 28 THR H H 28 8.260 9.025 -0.765 1
1 325 . 9 1 1 A 28 28 THR HA H 28 4.230 4.521 -0.291 1
1 330 . 9 1 1 A 28 28 THR C C 28 173.830 174.508 -0.678 1
1 331 . 9 1 1 A 28 28 THR CA C 28 62.180 62.395 -0.215 1
1 332 . 9 1 1 A 28 28 THR CB C 28 69.240 69.663 -0.423 1
1 333 . 9 1 1 A 28 28 THR N N 28 112.480 117.068 -4.588 1
1 334 . 9 1 1 A 29 29 ILE H H 29 7.460 7.569 -0.109 1
1 335 . 9 1 1 A 29 29 ILE HA H 29 4.540 4.710 -0.170 1
1 345 . 9 1 1 A 29 29 ILE C C 29 173.440 174.337 -0.897 1
1 346 . 9 1 1 A 29 29 ILE CA C 29 60.540 59.240 1.300 1
1 347 . 9 1 1 A 29 29 ILE CB C 29 40.780 41.964 -1.184 1
1 351 . 9 1 1 A 29 29 ILE N N 29 118.820 120.914 -2.094 1
1 352 . 9 1 1 A 30 30 THR H H 30 9.380 8.720 0.660 1
1 353 . 9 1 1 A 30 30 THR HA H 30 4.870 4.585 0.285 1
1 358 . 9 1 1 A 30 30 THR C C 30 173.600 173.852 -0.252 1
1 359 . 9 1 1 A 30 30 THR CA C 30 64.280 62.361 1.919 1
1 360 . 9 1 1 A 30 30 THR CB C 30 69.840 69.651 0.189 1
1 361 . 9 1 1 A 30 30 THR N N 30 129.290 119.937 9.353 1
1 362 . 9 1 1 A 31 31 CYS H H 31 9.180 8.484 0.696 1
1 363 . 9 1 1 A 31 31 CYS HA H 31 5.530 5.168 0.362 1
1 366 . 9 1 1 A 31 31 CYS C C 31 174.420 172.946 1.474 1
1 367 . 9 1 1 A 31 31 CYS CA C 31 56.540 57.017 -0.477 1
1 368 . 9 1 1 A 31 31 CYS CB C 31 30.780 30.611 0.169 1
1 369 . 9 1 1 A 31 31 CYS N N 31 122.220 125.207 -2.987 1
1 370 . 9 1 1 A 32 32 VAL H H 32 9.090 9.140 -0.050 1
1 371 . 9 1 1 A 32 32 VAL HA H 32 4.710 4.311 0.399 1
1 379 . 9 1 1 A 32 32 VAL CA C 32 57.300 58.498 -1.198 1
1 380 . 9 1 1 A 32 32 VAL CB C 32 32.860 35.090 -2.230 1
1 383 . 9 1 1 A 32 32 VAL N N 32 117.890 126.401 -8.511 1
1 384 . 9 1 1 A 33 33 PRO HA H 33 4.530 5.263 -0.733 1
1 391 . 9 1 1 A 33 33 PRO C C 33 178.110 177.795 0.315 1
1 392 . 9 1 1 A 33 33 PRO CA C 33 64.140 62.540 1.600 1
1 393 . 9 1 1 A 33 33 PRO CB C 33 32.200 31.981 0.219 1
1 396 . 9 1 1 A 34 34 GLU H H 34 8.380 8.621 -0.241 1
1 397 . 9 1 1 A 34 34 GLU HA H 34 3.730 3.865 -0.135 1
1 402 . 9 1 1 A 34 34 GLU C C 34 177.830 178.321 -0.491 1
1 403 . 9 1 1 A 34 34 GLU CA C 34 59.480 59.549 -0.069 1
1 404 . 9 1 1 A 34 34 GLU CB C 34 29.860 29.331 0.529 1
1 406 . 9 1 1 A 34 34 GLU N N 34 122.200 124.560 -2.360 1
1 407 . 9 1 1 A 35 35 ALA H H 35 9.050 8.203 0.847 1
1 408 . 9 1 1 A 35 35 ALA HA H 35 4.030 4.013 0.017 1
1 412 . 9 1 1 A 35 35 ALA C C 35 180.250 178.528 1.722 1
1 413 . 9 1 1 A 35 35 ALA CA C 35 54.850 54.686 0.164 1
1 414 . 9 1 1 A 35 35 ALA CB C 35 18.160 18.481 -0.321 1
1 415 . 9 1 1 A 35 35 ALA N N 35 123.090 121.859 1.231 1
1 416 . 9 1 1 A 36 36 PHE H H 36 7.510 8.524 -1.014 1
1 417 . 9 1 1 A 36 36 PHE HA H 36 4.370 4.486 -0.116 1
1 425 . 9 1 1 A 36 36 PHE C C 36 174.870 176.897 -2.027 1
1 426 . 9 1 1 A 36 36 PHE CA C 36 60.160 58.475 1.685 1
1 427 . 9 1 1 A 36 36 PHE CB C 36 38.930 40.007 -1.077 1
1 433 . 9 1 1 A 36 36 PHE N N 36 112.030 115.338 -3.308 1
1 434 . 9 1 1 A 37 37 LEU H H 37 7.640 8.515 -0.875 1
1 435 . 9 1 1 A 37 37 LEU HA H 37 4.230 4.448 -0.218 1
1 445 . 9 1 1 A 37 37 LEU C C 37 177.380 177.334 0.046 1
1 446 . 9 1 1 A 37 37 LEU CA C 37 53.080 54.535 -1.455 1
1 447 . 9 1 1 A 37 37 LEU CB C 37 41.050 42.117 -1.067 1
1 451 . 9 1 1 A 37 37 LEU N N 37 116.800 118.195 -1.395 1
1 452 . 9 1 1 A 38 38 GLU H H 38 7.050 7.914 -0.864 1
1 453 . 9 1 1 A 38 38 GLU HA H 38 3.980 4.016 -0.036 1
1 458 . 9 1 1 A 38 38 GLU C C 38 176.630 177.721 -1.091 1
1 459 . 9 1 1 A 38 38 GLU CA C 38 59.250 59.965 -0.715 1
1 460 . 9 1 1 A 38 38 GLU CB C 38 29.870 29.377 0.493 1
1 462 . 9 1 1 A 38 38 GLU N N 38 121.260 120.082 1.178 1
1 463 . 9 1 1 A 39 39 ASP H H 39 8.690 8.196 0.494 1
1 464 . 9 1 1 A 39 39 ASP HA H 39 4.700 4.674 0.026 1
1 467 . 9 1 1 A 39 39 ASP C C 39 175.570 175.416 0.154 1
1 468 . 9 1 1 A 39 39 ASP CA C 39 53.760 53.020 0.740 1
1 469 . 9 1 1 A 39 39 ASP CB C 39 40.010 40.144 -0.134 1
1 470 . 9 1 1 A 39 39 ASP N N 39 115.590 115.284 0.306 1
1 471 . 9 1 1 A 40 40 GLU H H 40 7.460 8.621 -1.161 1
1 472 . 9 1 1 A 40 40 GLU HA H 40 4.720 4.851 -0.131 1
1 477 . 9 1 1 A 40 40 GLU C C 40 175.660 175.675 -0.015 1
1 478 . 9 1 1 A 40 40 GLU CA C 40 54.240 54.975 -0.735 1
1 479 . 9 1 1 A 40 40 GLU CB C 40 31.240 32.629 -1.389 1
1 481 . 9 1 1 A 40 40 GLU N N 40 118.210 119.398 -1.188 1
1 482 . 9 1 1 A 41 41 ARG H H 41 9.130 8.729 0.401 1
1 483 . 9 1 1 A 41 41 ARG HA H 41 5.080 5.071 0.009 1
1 490 . 9 1 1 A 41 41 ARG CA C 41 52.540 52.611 -0.071 1
1 491 . 9 1 1 A 41 41 ARG CB C 41 31.240 33.092 -1.852 1
1 494 . 9 1 1 A 41 41 ARG N N 41 121.830 119.650 2.180 1
1 495 . 9 1 1 A 42 42 PRO HA H 42 3.840 4.186 -0.346 1
1 502 . 9 1 1 A 42 42 PRO C C 42 177.180 177.108 0.072 1
1 503 . 9 1 1 A 42 42 PRO CA C 42 63.010 62.091 0.919 1
1 504 . 9 1 1 A 42 42 PRO CB C 42 32.490 31.226 1.264 1
1 507 . 9 1 1 A 43 43 ILE H H 43 9.110 8.193 0.917 1
1 508 . 9 1 1 A 43 43 ILE HA H 43 4.410 4.014 0.396 1
1 518 . 9 1 1 A 43 43 ILE C C 43 176.220 176.014 0.206 1
1 519 . 9 1 1 A 43 43 ILE CA C 43 61.480 62.406 -0.926 1
1 520 . 9 1 1 A 43 43 ILE CB C 43 39.510 38.241 1.269 1
1 524 . 9 1 1 A 43 43 ILE N N 43 115.610 118.871 -3.261 1
1 525 . 9 1 1 A 44 44 GLN H H 44 7.750 7.575 0.175 1
1 526 . 9 1 1 A 44 44 GLN HA H 44 4.610 4.789 -0.179 1
1 533 . 9 1 1 A 44 44 GLN C C 44 173.610 174.218 -0.608 1
1 534 . 9 1 1 A 44 44 GLN CA C 44 55.140 54.444 0.696 1
1 535 . 9 1 1 A 44 44 GLN CB C 44 31.460 34.023 -2.563 1
1 537 . 9 1 1 A 44 44 GLN N N 44 118.360 119.479 -1.119 1
1 539 . 9 1 1 A 45 45 THR H H 45 8.560 8.814 -0.254 1
1 540 . 9 1 1 A 45 45 THR HA H 45 5.140 5.217 -0.077 1
1 545 . 9 1 1 A 45 45 THR C C 45 177.830 173.379 4.451 1
1 546 . 9 1 1 A 45 45 THR CA C 45 61.450 60.020 1.430 1
1 547 . 9 1 1 A 45 45 THR CB C 45 71.380 71.689 -0.309 1
1 549 . 9 1 1 A 45 45 THR N N 45 115.470 112.544 2.926 1
1 550 . 9 1 1 A 46 46 MET H H 46 9.100 8.893 0.207 1
1 551 . 9 1 1 A 46 46 MET HA H 46 4.730 4.944 -0.214 1
1 556 . 9 1 1 A 46 46 MET C C 46 173.520 173.699 -0.179 1
1 557 . 9 1 1 A 46 46 MET CA C 46 54.560 54.658 -0.098 1
1 558 . 9 1 1 A 46 46 MET CB C 46 36.500 35.970 0.530 1
1 560 . 9 1 1 A 46 46 MET N N 46 123.160 121.792 1.368 1
1 561 . 9 1 1 A 47 47 LEU H H 47 8.490 8.711 -0.221 1
1 562 . 9 1 1 A 47 47 LEU HA H 47 4.730 4.984 -0.254 1
1 572 . 9 1 1 A 47 47 LEU C C 47 176.210 174.651 1.559 1
1 573 . 9 1 1 A 47 47 LEU CA C 47 54.440 53.716 0.724 1
1 574 . 9 1 1 A 47 47 LEU CB C 47 42.540 44.479 -1.939 1
1 578 . 9 1 1 A 47 47 LEU N N 47 124.300 127.096 -2.796 1
1 579 . 9 1 1 A 48 48 ILE H H 48 8.990 8.952 0.038 1
1 580 . 9 1 1 A 48 48 ILE HA H 48 4.430 4.939 -0.509 1
1 590 . 9 1 1 A 48 48 ILE C C 48 175.040 174.268 0.772 1
1 591 . 9 1 1 A 48 48 ILE CA C 48 59.150 59.976 -0.826 1
1 592 . 9 1 1 A 48 48 ILE CB C 48 39.910 40.700 -0.790 1
1 596 . 9 1 1 A 48 48 ILE N N 48 125.760 128.118 -2.358 1
1 597 . 9 1 1 A 49 49 LYS H H 49 8.710 9.079 -0.369 1
1 598 . 9 1 1 A 49 49 LYS HA H 49 4.550 5.186 -0.636 1
1 607 . 9 1 1 A 49 49 LYS C C 49 176.060 175.482 0.578 1
1 608 . 9 1 1 A 49 49 LYS CA C 49 56.570 54.718 1.852 1
1 609 . 9 1 1 A 49 49 LYS CB C 49 33.010 35.377 -2.367 1
1 613 . 9 1 1 A 49 49 LYS N N 49 126.480 128.608 -2.128 1
1 614 . 9 1 1 A 50 50 THR H H 50 8.150 8.962 -0.812 1
1 615 . 9 1 1 A 50 50 THR HA H 50 4.860 4.918 -0.058 1
1 620 . 9 1 1 A 50 50 THR CA C 50 60.030 60.010 0.020 1
1 621 . 9 1 1 A 50 50 THR CB C 50 72.820 70.664 2.156 1
1 623 . 9 1 1 A 50 50 THR N N 50 116.220 117.461 -1.241 1
1 624 . 9 1 1 A 51 51 ILE HA H 51 4.400 3.776 0.624 1
1 634 . 9 1 1 A 51 51 ILE C C 51 176.140 178.279 -2.139 1
1 635 . 9 1 1 A 51 51 ILE CA C 51 63.450 64.191 -0.741 1
1 636 . 9 1 1 A 51 51 ILE CB C 51 37.970 37.688 0.282 1
1 640 . 9 1 1 A 52 52 HIS H H 52 7.820 8.097 -0.277 1
1 641 . 9 1 1 A 52 52 HIS HA H 52 4.830 4.191 0.639 1
1 644 . 9 1 1 A 52 52 HIS C C 52 175.190 175.214 -0.024 1
1 645 . 9 1 1 A 52 52 HIS CA C 52 55.670 59.145 -3.475 1
1 646 . 9 1 1 A 52 52 HIS CB C 52 31.260 30.291 0.969 1
1 647 . 9 1 1 A 52 52 HIS N N 52 118.280 119.245 -0.965 1
1 648 . 9 1 1 A 53 53 GLY H H 53 7.590 7.412 0.178 1
1 649 . 9 1 1 A 53 53 GLY HA2 H 53 3.880 3.908 -0.028 1
1 650 . 9 1 1 A 53 53 GLY HA3 H 53 4.510 3.910 0.600 1
1 651 . 9 1 1 A 53 53 GLY C C 53 173.360 171.394 1.966 1
1 652 . 9 1 1 A 53 53 GLY CA C 53 44.510 45.839 -1.329 1
1 653 . 9 1 1 A 53 53 GLY N N 53 108.490 105.558 2.932 1
1 654 . 9 1 1 A 54 54 GLU H H 54 8.710 8.498 0.212 1
1 655 . 9 1 1 A 54 54 GLU HA H 54 5.050 5.158 -0.108 1
1 660 . 9 1 1 A 54 54 GLU C C 54 175.890 174.996 0.894 1
1 661 . 9 1 1 A 54 54 GLU CA C 54 55.980 55.212 0.768 1
1 662 . 9 1 1 A 54 54 GLU CB C 54 31.610 33.141 -1.531 1
1 664 . 9 1 1 A 54 54 GLU N N 54 121.850 120.889 0.961 1
1 665 . 9 1 1 A 55 55 LYS H H 55 8.930 9.089 -0.159 1
1 666 . 9 1 1 A 55 55 LYS HA H 55 4.670 5.086 -0.416 1
1 675 . 9 1 1 A 55 55 LYS C C 55 174.630 174.653 -0.023 1
1 676 . 9 1 1 A 55 55 LYS CA C 55 54.750 54.674 0.076 1
1 677 . 9 1 1 A 55 55 LYS CB C 55 35.910 35.756 0.154 1
1 681 . 9 1 1 A 55 55 LYS N N 55 123.380 125.493 -2.113 1
1 682 . 9 1 1 A 56 56 GLN H H 56 8.670 9.048 -0.378 1
1 683 . 9 1 1 A 56 56 GLN HA H 56 4.820 5.094 -0.274 1
1 688 . 9 1 1 A 56 56 GLN C C 56 175.780 174.777 1.003 1
1 689 . 9 1 1 A 56 56 GLN CA C 56 55.500 54.374 1.126 1
1 690 . 9 1 1 A 56 56 GLN CB C 56 29.470 31.181 -1.711 1
1 692 . 9 1 1 A 56 56 GLN N N 56 122.950 124.159 -1.209 1
1 693 . 9 1 1 A 57 57 GLN H H 57 9.210 8.565 0.645 1
1 694 . 9 1 1 A 57 57 GLN HA H 57 4.740 5.055 -0.315 1
1 701 . 9 1 1 A 57 57 GLN C C 57 174.100 174.404 -0.304 1
1 702 . 9 1 1 A 57 57 GLN CA C 57 54.760 54.638 0.122 1
1 703 . 9 1 1 A 57 57 GLN CB C 57 32.670 32.255 0.415 1
1 705 . 9 1 1 A 57 57 GLN N N 57 125.030 125.145 -0.115 1
1 707 . 9 1 1 A 58 58 ASP H H 58 8.570 8.755 -0.185 1
1 708 . 9 1 1 A 58 58 ASP HA H 58 4.860 5.127 -0.267 1
1 711 . 9 1 1 A 58 58 ASP C C 58 173.690 175.801 -2.111 1
1 712 . 9 1 1 A 58 58 ASP CA C 58 55.090 53.757 1.333 1
1 713 . 9 1 1 A 58 58 ASP CB C 58 42.120 42.789 -0.669 1
1 714 . 9 1 1 A 58 58 ASP N N 58 124.680 120.892 3.788 1
1 715 . 9 1 1 A 59 59 VAL H H 59 8.480 9.013 -0.533 1
1 716 . 9 1 1 A 59 59 VAL HA H 59 4.610 4.848 -0.238 1
1 724 . 9 1 1 A 59 59 VAL C C 59 174.600 173.919 0.681 1
1 725 . 9 1 1 A 59 59 VAL CA C 59 61.130 60.619 0.511 1
1 726 . 9 1 1 A 59 59 VAL CB C 59 34.250 33.560 0.690 1
1 729 . 9 1 1 A 59 59 VAL N N 59 121.270 121.866 -0.596 1
1 730 . 9 1 1 A 60 60 TYR H H 60 9.390 9.037 0.353 1
1 731 . 9 1 1 A 60 60 TYR HA H 60 4.800 5.099 -0.299 1
1 738 . 9 1 1 A 60 60 TYR C C 60 173.840 174.134 -0.294 1
1 739 . 9 1 1 A 60 60 TYR CA C 60 56.840 56.735 0.105 1
1 740 . 9 1 1 A 60 60 TYR CB C 60 41.190 41.776 -0.586 1
1 745 . 9 1 1 A 60 60 TYR N N 60 125.760 126.198 -0.438 1
1 746 . 9 1 1 A 61 61 TYR H H 61 9.300 9.126 0.174 1
1 747 . 9 1 1 A 61 61 TYR HA H 61 5.370 5.018 0.352 1
1 754 . 9 1 1 A 61 61 TYR C C 61 174.300 174.500 -0.200 1
1 755 . 9 1 1 A 61 61 TYR CA C 61 57.490 57.262 0.228 1
1 756 . 9 1 1 A 61 61 TYR CB C 61 40.900 39.531 1.369 1
1 761 . 9 1 1 A 61 61 TYR N N 61 122.890 125.947 -3.057 1
1 762 . 9 1 1 A 62 62 LEU H H 62 8.770 8.707 0.063 1
1 763 . 9 1 1 A 62 62 LEU HA H 62 4.780 5.137 -0.357 1
1 773 . 9 1 1 A 62 62 LEU C C 62 174.070 176.153 -2.083 1
1 774 . 9 1 1 A 62 62 LEU CA C 62 53.760 53.373 0.387 1
1 775 . 9 1 1 A 62 62 LEU CB C 62 49.020 46.314 2.706 1
1 779 . 9 1 1 A 62 62 LEU N N 62 129.700 129.296 0.404 1
1 780 . 9 1 1 A 63 63 THR H H 63 7.960 8.676 -0.716 1
1 781 . 9 1 1 A 63 63 THR HA H 63 5.410 5.159 0.251 1
1 786 . 9 1 1 A 63 63 THR C C 63 173.860 174.096 -0.236 1
1 787 . 9 1 1 A 63 63 THR CA C 63 60.850 61.292 -0.442 1
1 788 . 9 1 1 A 63 63 THR CB C 63 69.790 70.614 -0.824 1
1 790 . 9 1 1 A 63 63 THR N N 63 118.460 115.707 2.753 1
1 791 . 9 1 1 A 64 64 PHE H H 64 9.270 8.593 0.677 1
1 792 . 9 1 1 A 64 64 PHE HA H 64 5.100 5.703 -0.603 1
1 800 . 9 1 1 A 64 64 PHE C C 64 172.280 172.621 -0.341 1
1 801 . 9 1 1 A 64 64 PHE CA C 64 56.020 55.248 0.772 1
1 802 . 9 1 1 A 64 64 PHE CB C 64 38.350 42.151 -3.801 1
1 808 . 9 1 1 A 64 64 PHE N N 64 123.960 122.971 0.989 1
1 809 . 9 1 1 A 65 65 LYS H H 65 8.750 8.884 -0.134 1
1 810 . 9 1 1 A 65 65 LYS HA H 65 5.500 4.907 0.593 1
1 819 . 9 1 1 A 65 65 LYS C C 65 176.300 176.034 0.266 1
1 820 . 9 1 1 A 65 65 LYS CA C 65 54.900 55.810 -0.910 1
1 821 . 9 1 1 A 65 65 LYS CB C 65 37.730 33.643 4.087 1
1 825 . 9 1 1 A 65 65 LYS N N 65 117.930 119.911 -1.981 1
1 826 . 9 1 1 A 66 66 VAL H H 66 8.840 9.346 -0.506 1
1 827 . 9 1 1 A 66 66 VAL HA H 66 4.520 4.629 -0.109 1
1 835 . 9 1 1 A 66 66 VAL C C 66 175.550 175.940 -0.390 1
1 836 . 9 1 1 A 66 66 VAL CA C 66 62.130 61.256 0.874 1
1 837 . 9 1 1 A 66 66 VAL CB C 66 35.100 31.913 3.187 1
1 840 . 9 1 1 A 66 66 VAL N N 66 119.330 125.196 -5.866 1
1 841 . 9 1 1 A 67 67 GLN H H 67 9.690 9.309 0.381 1
1 842 . 9 1 1 A 67 67 GLN HA H 67 4.050 4.071 -0.021 1
1 849 . 9 1 1 A 67 67 GLN C C 67 176.300 176.204 0.096 1
1 850 . 9 1 1 A 67 67 GLN CA C 67 56.720 57.144 -0.424 1
1 851 . 9 1 1 A 67 67 GLN CB C 67 28.230 26.786 1.444 1
1 853 . 9 1 1 A 67 67 GLN N N 67 125.930 128.586 -2.656 1
1 855 . 9 1 1 A 68 68 GLY H H 68 8.980 8.647 0.333 1
1 856 . 9 1 1 A 68 68 GLY HA2 H 68 3.510 3.814 -0.304 1
1 857 . 9 1 1 A 68 68 GLY HA3 H 68 4.140 3.826 0.314 1
1 858 . 9 1 1 A 68 68 GLY C C 68 173.410 173.764 -0.354 1
1 859 . 9 1 1 A 68 68 GLY CA C 68 45.460 45.769 -0.309 1
1 860 . 9 1 1 A 68 68 GLY N N 68 103.510 104.629 -1.119 1
1 861 . 9 1 1 A 69 69 ARG H H 69 8.070 7.781 0.289 1
1 862 . 9 1 1 A 69 69 ARG HA H 69 4.400 4.531 -0.131 1
1 869 . 9 1 1 A 69 69 ARG C C 69 174.880 174.639 0.241 1
1 870 . 9 1 1 A 69 69 ARG CA C 69 54.730 54.242 0.488 1
1 871 . 9 1 1 A 69 69 ARG CB C 69 31.520 32.096 -0.576 1
1 874 . 9 1 1 A 69 69 ARG N N 69 122.680 119.758 2.922 1
1 875 . 9 1 1 A 70 70 LYS H H 70 8.390 8.678 -0.288 1
1 876 . 9 1 1 A 70 70 LYS HA H 70 4.220 4.292 -0.072 1
1 885 . 9 1 1 A 70 70 LYS C C 70 175.330 174.922 0.408 1
1 886 . 9 1 1 A 70 70 LYS CA C 70 57.860 56.828 1.032 1
1 887 . 9 1 1 A 70 70 LYS CB C 70 32.790 32.591 0.199 1
1 891 . 9 1 1 A 70 70 LYS N N 70 123.590 126.948 -3.358 1
1 892 . 9 1 1 A 71 71 VAL H H 71 9.050 8.241 0.809 1
1 893 . 9 1 1 A 71 71 VAL HA H 71 4.140 4.601 -0.461 1
1 901 . 9 1 1 A 71 71 VAL C C 71 173.310 174.202 -0.892 1
1 902 . 9 1 1 A 71 71 VAL CA C 71 61.370 60.276 1.094 1
1 903 . 9 1 1 A 71 71 VAL CB C 71 34.610 35.614 -1.004 1
1 906 . 9 1 1 A 71 71 VAL N N 71 128.340 126.995 1.345 1
1 907 . 9 1 1 A 72 72 GLU H H 72 8.150 8.712 -0.562 1
1 908 . 9 1 1 A 72 72 GLU HA H 72 4.970 5.039 -0.069 1
1 913 . 9 1 1 A 72 72 GLU C C 72 174.910 175.478 -0.568 1
1 914 . 9 1 1 A 72 72 GLU CA C 72 54.490 54.946 -0.456 1
1 915 . 9 1 1 A 72 72 GLU CB C 72 31.410 32.751 -1.341 1
1 917 . 9 1 1 A 72 72 GLU N N 72 124.430 125.235 -0.805 1
1 918 . 9 1 1 A 73 73 ALA H H 73 8.420 8.063 0.357 1
1 919 . 9 1 1 A 73 73 ALA HA H 73 4.770 4.651 0.119 1
1 923 . 9 1 1 A 73 73 ALA C C 73 175.140 175.896 -0.756 1
1 924 . 9 1 1 A 73 73 ALA CA C 73 51.050 50.850 0.200 1
1 925 . 9 1 1 A 73 73 ALA CB C 73 23.060 23.262 -0.202 1
1 926 . 9 1 1 A 73 73 ALA N N 73 124.790 122.692 2.098 1
1 927 . 9 1 1 A 74 74 GLU H H 74 8.520 8.463 0.057 1
1 928 . 9 1 1 A 74 74 GLU HA H 74 5.260 4.967 0.293 1
1 933 . 9 1 1 A 74 74 GLU C C 74 176.570 176.458 0.112 1
1 934 . 9 1 1 A 74 74 GLU CA C 74 55.770 56.748 -0.978 1
1 935 . 9 1 1 A 74 74 GLU CB C 74 29.840 30.246 -0.406 1
1 937 . 9 1 1 A 74 74 GLU N N 74 120.480 119.080 1.400 1
1 938 . 9 1 1 A 75 75 VAL H H 75 9.240 9.841 -0.601 1
1 939 . 9 1 1 A 75 75 VAL HA H 75 5.730 5.154 0.576 1
1 947 . 9 1 1 A 75 75 VAL C C 75 174.700 174.112 0.588 1
1 948 . 9 1 1 A 75 75 VAL CA C 75 57.950 59.066 -1.116 1
1 949 . 9 1 1 A 75 75 VAL CB C 75 36.540 35.298 1.242 1
1 952 . 9 1 1 A 75 75 VAL N N 75 113.070 118.826 -5.756 1
1 953 . 9 1 1 A 76 76 LEU H H 76 8.420 8.453 -0.033 1
1 954 . 9 1 1 A 76 76 LEU HA H 76 5.110 4.868 0.242 1
1 964 . 9 1 1 A 76 76 LEU C C 76 176.970 176.789 0.181 1
1 965 . 9 1 1 A 76 76 LEU CA C 76 52.370 53.651 -1.281 1
1 966 . 9 1 1 A 76 76 LEU CB C 76 45.230 44.278 0.952 1
1 970 . 9 1 1 A 76 76 LEU N N 76 117.790 126.424 -8.634 1
1 971 . 9 1 1 A 77 77 ALA H H 77 8.930 8.498 0.432 1
1 972 . 9 1 1 A 77 77 ALA HA H 77 4.500 5.030 -0.530 1
1 976 . 9 1 1 A 77 77 ALA C C 77 177.950 176.746 1.204 1
1 977 . 9 1 1 A 77 77 ALA CA C 77 52.090 52.127 -0.037 1
1 978 . 9 1 1 A 77 77 ALA CB C 77 20.280 19.327 0.953 1
1 979 . 9 1 1 A 77 77 ALA N N 77 122.210 128.022 -5.812 1
1 980 . 9 1 1 A 78 78 SER H H 78 8.380 8.386 -0.006 1
1 981 . 9 1 1 A 78 78 SER HA H 78 5.010 4.948 0.062 1
1 984 . 9 1 1 A 78 78 SER CA C 78 54.230 55.508 -1.278 1
1 985 . 9 1 1 A 78 78 SER CB C 78 66.050 66.093 -0.043 1
1 986 . 9 1 1 A 78 78 SER N N 78 117.830 116.336 1.494 1
1 987 . 9 1 1 A 79 79 PRO HA H 79 4.660 4.464 0.196 1
1 994 . 9 1 1 A 79 79 PRO C C 79 176.150 175.967 0.183 1
1 995 . 9 1 1 A 79 79 PRO CA C 79 62.860 63.407 -0.547 1
1 996 . 9 1 1 A 79 79 PRO CB C 79 31.230 31.555 -0.325 1
1 999 . 9 1 1 A 80 80 TYR H H 80 7.380 7.282 0.098 1
1 1000 . 9 1 1 A 80 80 TYR HA H 80 4.710 4.714 -0.004 1
1 1007 . 9 1 1 A 80 80 TYR C C 80 175.550 175.971 -0.421 1
1 1008 . 9 1 1 A 80 80 TYR CA C 80 56.150 57.680 -1.530 1
1 1009 . 9 1 1 A 80 80 TYR CB C 80 38.490 39.255 -0.765 1
1 1014 . 9 1 1 A 80 80 TYR N N 80 120.860 120.412 0.448 1
1 1015 . 9 1 1 A 81 81 ASP H H 81 8.290 9.169 -0.879 1
1 1016 . 9 1 1 A 81 81 ASP HA H 81 4.640 5.018 -0.378 1
1 1019 . 9 1 1 A 81 81 ASP C C 81 175.290 175.166 0.124 1
1 1020 . 9 1 1 A 81 81 ASP CA C 81 53.560 53.229 0.331 1
1 1021 . 9 1 1 A 81 81 ASP CB C 81 40.650 41.269 -0.619 1
1 1022 . 9 1 1 A 81 81 ASP N N 81 115.600 118.986 -3.386 1
1 1023 . 9 1 1 A 82 82 TYR H H 82 6.680 7.687 -1.007 1
1 1024 . 9 1 1 A 82 82 TYR HA H 82 5.160 5.124 0.036 1
1 1031 . 9 1 1 A 82 82 TYR C C 82 173.930 172.857 1.073 1
1 1032 . 9 1 1 A 82 82 TYR CA C 82 53.190 55.820 -2.630 1
1 1033 . 9 1 1 A 82 82 TYR CB C 82 40.820 41.529 -0.709 1
1 1038 . 9 1 1 A 82 82 TYR N N 82 116.100 116.469 -0.369 1
1 1039 . 9 1 1 A 83 83 ILE H H 83 8.900 8.681 0.219 1
1 1040 . 9 1 1 A 83 83 ILE HA H 83 4.480 4.522 -0.042 1
1 1050 . 9 1 1 A 83 83 ILE C C 83 175.160 174.731 0.429 1
1 1051 . 9 1 1 A 83 83 ILE CA C 83 60.940 59.325 1.615 1
1 1052 . 9 1 1 A 83 83 ILE CB C 83 40.980 41.837 -0.857 1
1 1056 . 9 1 1 A 83 83 ILE N N 83 119.050 119.214 -0.164 1
1 1057 . 9 1 1 A 84 84 LEU H H 84 8.740 9.016 -0.276 1
1 1058 . 9 1 1 A 84 84 LEU HA H 84 5.140 5.357 -0.217 1
1 1068 . 9 1 1 A 84 84 LEU C C 84 174.920 175.559 -0.639 1
1 1069 . 9 1 1 A 84 84 LEU CA C 84 53.800 53.280 0.520 1
1 1070 . 9 1 1 A 84 84 LEU CB C 84 44.100 43.458 0.642 1
1 1074 . 9 1 1 A 84 84 LEU N N 84 130.660 126.240 4.420 1
1 1075 . 9 1 1 A 85 85 LEU H H 85 9.010 8.990 0.020 1
1 1076 . 9 1 1 A 85 85 LEU HA H 85 4.470 4.957 -0.487 1
1 1086 . 9 1 1 A 85 85 LEU C C 85 174.660 175.548 -0.888 1
1 1087 . 9 1 1 A 85 85 LEU CA C 85 54.080 53.624 0.456 1
1 1088 . 9 1 1 A 85 85 LEU CB C 85 44.350 43.789 0.561 1
1 1092 . 9 1 1 A 85 85 LEU N N 85 125.210 124.412 0.798 1
1 1093 . 9 1 1 A 86 86 ASN H H 86 8.370 8.439 -0.069 1
1 1094 . 9 1 1 A 86 86 ASN HA H 86 4.680 4.844 -0.164 1
1 1099 . 9 1 1 A 86 86 ASN CA C 86 49.780 50.724 -0.944 1
1 1100 . 9 1 1 A 86 86 ASN CB C 86 38.890 40.416 -1.526 1
1 1101 . 9 1 1 A 86 86 ASN N N 86 122.970 122.783 0.187 1
1 1103 . 9 1 1 A 87 87 PRO HA H 87 3.600 4.637 -1.037 1
1 1110 . 9 1 1 A 87 87 PRO C C 87 178.740 178.662 0.078 1
1 1111 . 9 1 1 A 87 87 PRO CA C 87 65.050 64.837 0.213 1
1 1112 . 9 1 1 A 87 87 PRO CB C 87 33.160 32.204 0.956 1
1 1115 . 9 1 1 A 88 88 SER H H 88 7.580 9.380 -1.800 1
1 1116 . 9 1 1 A 88 88 SER HA H 88 4.100 4.176 -0.076 1
1 1119 . 9 1 1 A 88 88 SER C C 88 175.480 176.698 -1.218 1
1 1120 . 9 1 1 A 88 88 SER CA C 88 60.730 61.342 -0.612 1
1 1121 . 9 1 1 A 88 88 SER CB C 88 62.870 63.121 -0.251 1
1 1122 . 9 1 1 A 88 88 SER N N 88 109.530 114.286 -4.756 1
1 1123 . 9 1 1 A 89 89 ASP H H 89 8.170 8.257 -0.087 1
1 1124 . 9 1 1 A 89 89 ASP HA H 89 4.770 4.509 0.261 1
1 1127 . 9 1 1 A 89 89 ASP C C 89 175.730 177.137 -1.407 1
1 1128 . 9 1 1 A 89 89 ASP CA C 89 56.030 56.804 -0.774 1
1 1129 . 9 1 1 A 89 89 ASP CB C 89 41.380 41.157 0.223 1
1 1130 . 9 1 1 A 89 89 ASP N N 89 118.600 121.014 -2.414 1
1 1131 . 9 1 1 A 90 90 VAL H H 90 7.050 7.206 -0.156 1
1 1132 . 9 1 1 A 90 90 VAL HA H 90 4.050 2.651 1.399 1
1 1140 . 9 1 1 A 90 90 VAL CA C 90 56.960 58.299 -1.339 1
1 1141 . 9 1 1 A 90 90 VAL CB C 90 31.710 31.163 0.547 1
1 1144 . 9 1 1 A 90 90 VAL N N 90 109.580 112.565 -2.985 1
1 1145 . 9 1 1 A 91 91 PRO HA H 91 4.250 4.347 -0.097 1
1 1152 . 9 1 1 A 91 91 PRO C C 91 176.870 177.607 -0.737 1
1 1153 . 9 1 1 A 91 91 PRO CA C 91 65.190 64.324 0.866 1
1 1154 . 9 1 1 A 91 91 PRO CB C 91 31.470 31.800 -0.330 1
1 1157 . 9 1 1 A 92 92 TRP H H 92 6.720 7.851 -1.131 1
1 1158 . 9 1 1 A 92 92 TRP HA H 92 4.570 4.457 0.113 1
1 1167 . 9 1 1 A 92 92 TRP C C 92 176.630 178.130 -1.500 1
1 1168 . 9 1 1 A 92 92 TRP CA C 92 56.910 59.840 -2.930 1
1 1169 . 9 1 1 A 92 92 TRP CB C 92 27.990 27.925 0.065 1
1 1175 . 9 1 1 A 92 92 TRP N N 92 115.110 118.068 -2.958 1
1 1177 . 9 1 1 A 93 93 LEU H H 93 7.150 7.149 0.001 1
1 1178 . 9 1 1 A 93 93 LEU HA H 93 4.220 4.073 0.147 1
1 1188 . 9 1 1 A 93 93 LEU C C 93 176.210 178.565 -2.355 1
1 1189 . 9 1 1 A 93 93 LEU CA C 93 55.350 57.312 -1.962 1
1 1190 . 9 1 1 A 93 93 LEU CB C 93 42.190 41.957 0.233 1
1 1194 . 9 1 1 A 93 93 LEU N N 93 123.090 124.124 -1.034 1
1 1195 . 9 1 1 A 94 94 MET H H 94 7.730 7.981 -0.251 1
1 1196 . 9 1 1 A 94 94 MET HA H 94 4.340 4.115 0.225 1
1 1201 . 9 1 1 A 94 94 MET C C 94 175.550 176.942 -1.392 1
1 1202 . 9 1 1 A 94 94 MET CA C 94 55.120 58.115 -2.995 1
1 1203 . 9 1 1 A 94 94 MET CB C 94 32.630 32.328 0.302 1
1 1205 . 9 1 1 A 94 94 MET N N 94 118.250 115.952 2.298 1
1 1206 . 9 1 1 A 95 95 LYS H H 95 7.950 7.517 0.433 1
1 1207 . 9 1 1 A 95 95 LYS HA H 95 4.260 4.302 -0.042 1
1 1210 . 9 1 1 A 95 95 LYS C C 95 176.130 175.916 0.214 1
1 1211 . 9 1 1 A 95 95 LYS CA C 95 56.150 56.673 -0.523 1
1 1212 . 9 1 1 A 95 95 LYS CB C 95 33.010 33.290 -0.280 1
1 1213 . 9 1 1 A 95 95 LYS N N 95 121.650 118.300 3.350 1
1 1214 . 9 1 1 A 96 96 LYS H H 96 8.260 8.539 -0.279 1
1 1215 . 9 1 1 A 96 96 LYS N N 96 123.570 120.929 2.641 1
1 1216 . 9 1 1 A 97 97 PRO HA H 97 4.530 4.278 0.252 1
1 1219 . 9 1 1 A 97 97 PRO C C 97 176.830 177.568 -0.738 1
1 1220 . 9 1 1 A 97 97 PRO CA C 97 63.180 64.247 -1.067 1
1 1221 . 9 1 1 A 97 97 PRO CB C 97 32.050 32.096 -0.046 1
1 88 . 10 1 1 A 9 9 PRO HA H 9 4.410 4.408 0.002 1
1 95 . 10 1 1 A 9 9 PRO C C 9 176.460 176.924 -0.464 1
1 96 . 10 1 1 A 9 9 PRO CA C 9 63.030 62.288 0.742 1
1 97 . 10 1 1 A 9 9 PRO CB C 9 32.210 31.720 0.490 1
1 100 . 10 1 1 A 10 10 LEU H H 10 9.190 8.533 0.657 1
1 101 . 10 1 1 A 10 10 LEU HA H 10 4.640 4.604 0.036 1
1 111 . 10 1 1 A 10 10 LEU C C 10 176.620 176.337 0.283 1
1 112 . 10 1 1 A 10 10 LEU CA C 10 53.420 54.133 -0.713 1
1 113 . 10 1 1 A 10 10 LEU CB C 10 44.290 42.570 1.720 1
1 117 . 10 1 1 A 10 10 LEU N N 10 123.060 123.033 0.027 1
1 118 . 10 1 1 A 11 11 GLU H H 11 8.720 8.713 0.007 1
1 119 . 10 1 1 A 11 11 GLU HA H 11 4.490 5.098 -0.608 1
1 124 . 10 1 1 A 11 11 GLU C C 11 176.620 175.128 1.492 1
1 125 . 10 1 1 A 11 11 GLU CA C 11 57.060 54.874 2.186 1
1 126 . 10 1 1 A 11 11 GLU CB C 11 30.820 33.091 -2.271 1
1 128 . 10 1 1 A 11 11 GLU N N 11 121.330 121.277 0.053 1
1 129 . 10 1 1 A 12 12 ALA H H 12 8.760 8.770 -0.010 1
1 130 . 10 1 1 A 12 12 ALA HA H 12 5.390 5.490 -0.100 1
1 134 . 10 1 1 A 12 12 ALA C C 12 176.040 175.056 0.984 1
1 135 . 10 1 1 A 12 12 ALA CA C 12 50.350 51.221 -0.871 1
1 136 . 10 1 1 A 12 12 ALA CB C 12 24.490 23.237 1.253 1
1 137 . 10 1 1 A 12 12 ALA N N 12 127.010 128.121 -1.111 1
1 138 . 10 1 1 A 13 13 GLU H H 13 8.850 9.229 -0.379 1
1 139 . 10 1 1 A 13 13 GLU HA H 13 5.240 5.463 -0.223 1
1 144 . 10 1 1 A 13 13 GLU C C 13 175.320 174.976 0.344 1
1 145 . 10 1 1 A 13 13 GLU CA C 13 55.580 54.885 0.695 1
1 146 . 10 1 1 A 13 13 GLU CB C 13 34.410 32.593 1.817 1
1 148 . 10 1 1 A 13 13 GLU N N 13 119.980 122.621 -2.641 1
1 149 . 10 1 1 A 14 14 ILE H H 14 8.420 8.678 -0.258 1
1 150 . 10 1 1 A 14 14 ILE HA H 14 4.210 4.601 -0.391 1
1 160 . 10 1 1 A 14 14 ILE C C 14 174.520 175.845 -1.325 1
1 161 . 10 1 1 A 14 14 ILE CA C 14 61.000 59.851 1.149 1
1 162 . 10 1 1 A 14 14 ILE CB C 14 40.430 38.933 1.497 1
1 166 . 10 1 1 A 14 14 ILE N N 14 123.990 127.429 -3.439 1
1 167 . 10 1 1 A 15 15 LYS H H 15 9.590 9.628 -0.038 1
1 168 . 10 1 1 A 15 15 LYS HA H 15 3.880 4.048 -0.168 1
1 177 . 10 1 1 A 15 15 LYS C C 15 176.880 176.690 0.190 1
1 178 . 10 1 1 A 15 15 LYS CA C 15 57.890 57.492 0.398 1
1 179 . 10 1 1 A 15 15 LYS CB C 15 30.550 30.311 0.239 1
1 183 . 10 1 1 A 15 15 LYS N N 15 124.930 128.484 -3.554 1
1 184 . 10 1 1 A 16 16 GLY H H 16 8.730 8.436 0.294 1
1 185 . 10 1 1 A 16 16 GLY HA2 H 16 3.670 3.889 -0.219 1
1 186 . 10 1 1 A 16 16 GLY HA3 H 16 4.230 3.898 0.332 1
1 187 . 10 1 1 A 16 16 GLY C C 16 174.360 174.405 -0.045 1
1 188 . 10 1 1 A 16 16 GLY CA C 16 45.540 45.239 0.301 1
1 189 . 10 1 1 A 16 16 GLY N N 16 104.580 105.955 -1.375 1
1 190 . 10 1 1 A 17 17 THR H H 17 8.400 8.317 0.083 1
1 191 . 10 1 1 A 17 17 THR HA H 17 4.490 4.234 0.256 1
1 196 . 10 1 1 A 17 17 THR C C 17 172.970 173.915 -0.945 1
1 197 . 10 1 1 A 17 17 THR CA C 17 62.580 63.673 -1.093 1
1 198 . 10 1 1 A 17 17 THR CB C 17 70.320 69.288 1.032 1
1 200 . 10 1 1 A 17 17 THR N N 17 120.070 116.834 3.236 1
1 201 . 10 1 1 A 18 18 LYS H H 18 8.750 8.707 0.043 1
1 202 . 10 1 1 A 18 18 LYS HA H 18 4.920 4.741 0.179 1
1 211 . 10 1 1 A 18 18 LYS C C 18 175.860 175.354 0.506 1
1 212 . 10 1 1 A 18 18 LYS CA C 18 56.350 56.114 0.236 1
1 213 . 10 1 1 A 18 18 LYS CB C 18 32.940 33.207 -0.267 1
1 217 . 10 1 1 A 18 18 LYS N N 18 127.270 127.919 -0.649 1
1 218 . 10 1 1 A 19 19 LEU H H 19 8.750 8.745 0.005 1
1 219 . 10 1 1 A 19 19 LEU HA H 19 4.850 4.914 -0.064 1
1 229 . 10 1 1 A 19 19 LEU C C 19 174.210 176.015 -1.805 1
1 230 . 10 1 1 A 19 19 LEU CA C 19 55.160 53.505 1.655 1
1 231 . 10 1 1 A 19 19 LEU CB C 19 43.340 46.070 -2.730 1
1 235 . 10 1 1 A 19 19 LEU N N 19 123.470 127.535 -4.065 1
1 236 . 10 1 1 A 20 20 LYS H H 20 8.660 8.295 0.365 1
1 237 . 10 1 1 A 20 20 LYS HA H 20 5.180 4.633 0.547 1
1 246 . 10 1 1 A 20 20 LYS C C 20 175.650 175.738 -0.088 1
1 247 . 10 1 1 A 20 20 LYS CA C 20 54.630 56.097 -1.467 1
1 248 . 10 1 1 A 20 20 LYS CB C 20 34.710 33.745 0.965 1
1 252 . 10 1 1 A 20 20 LYS N N 20 118.320 121.338 -3.018 1
1 253 . 10 1 1 A 21 21 ALA H H 21 8.860 8.412 0.448 1
1 254 . 10 1 1 A 21 21 ALA HA H 21 5.470 5.396 0.074 1
1 258 . 10 1 1 A 21 21 ALA C C 21 174.740 175.642 -0.902 1
1 259 . 10 1 1 A 21 21 ALA CA C 21 49.510 50.516 -1.006 1
1 260 . 10 1 1 A 21 21 ALA CB C 21 22.990 24.285 -1.295 1
1 261 . 10 1 1 A 21 21 ALA N N 21 120.460 122.803 -2.343 1
1 262 . 10 1 1 A 22 22 HIS H H 22 9.140 8.713 0.427 1
1 263 . 10 1 1 A 22 22 HIS HA H 22 5.070 5.281 -0.211 1
1 268 . 10 1 1 A 22 22 HIS C C 22 174.310 173.990 0.320 1
1 269 . 10 1 1 A 22 22 HIS CA C 22 54.040 53.744 0.296 1
1 270 . 10 1 1 A 22 22 HIS CB C 22 32.390 34.008 -1.618 1
1 272 . 10 1 1 A 22 22 HIS N N 22 119.890 114.949 4.941 1
1 273 . 10 1 1 A 23 23 TRP H H 23 9.160 9.158 0.002 1
1 274 . 10 1 1 A 23 23 TRP HA H 23 4.360 4.854 -0.494 1
1 283 . 10 1 1 A 23 23 TRP C C 23 175.070 174.468 0.602 1
1 284 . 10 1 1 A 23 23 TRP CA C 23 59.160 56.134 3.026 1
1 285 . 10 1 1 A 23 23 TRP CB C 23 30.710 30.533 0.177 1
1 291 . 10 1 1 A 23 23 TRP N N 23 126.610 125.217 1.393 1
1 293 . 10 1 1 A 24 24 ASP H H 24 7.720 8.072 -0.352 1
1 294 . 10 1 1 A 24 24 ASP HA H 24 4.880 4.756 0.124 1
1 297 . 10 1 1 A 24 24 ASP C C 24 175.340 175.724 -0.384 1
1 298 . 10 1 1 A 24 24 ASP CA C 24 53.030 52.026 1.004 1
1 299 . 10 1 1 A 24 24 ASP CB C 24 43.510 41.866 1.644 1
1 300 . 10 1 1 A 24 24 ASP N N 24 126.750 128.927 -2.177 1
1 301 . 10 1 1 A 25 25 SER H H 25 8.490 8.370 0.120 1
1 302 . 10 1 1 A 25 25 SER HA H 25 3.580 3.468 0.112 1
1 305 . 10 1 1 A 25 25 SER C C 25 175.340 176.628 -1.288 1
1 306 . 10 1 1 A 25 25 SER CA C 25 60.640 60.909 -0.269 1
1 307 . 10 1 1 A 25 25 SER CB C 25 62.990 62.525 0.465 1
1 308 . 10 1 1 A 25 25 SER N N 25 119.220 119.672 -0.452 1
1 309 . 10 1 1 A 26 26 GLY H H 26 8.670 7.939 0.731 1
1 310 . 10 1 1 A 26 26 GLY HA2 H 26 3.630 3.765 -0.135 1
1 311 . 10 1 1 A 26 26 GLY HA3 H 26 4.200 3.769 0.431 1
1 312 . 10 1 1 A 26 26 GLY C C 26 174.190 174.787 -0.597 1
1 313 . 10 1 1 A 26 26 GLY CA C 26 44.760 47.175 -2.415 1
1 314 . 10 1 1 A 26 26 GLY N N 26 109.290 109.480 -0.190 1
1 315 . 10 1 1 A 27 27 ALA H H 27 7.550 7.087 0.463 1
1 316 . 10 1 1 A 27 27 ALA HA H 27 4.370 4.233 0.137 1
1 320 . 10 1 1 A 27 27 ALA C C 27 178.430 178.326 0.104 1
1 321 . 10 1 1 A 27 27 ALA CA C 27 52.240 52.331 -0.091 1
1 322 . 10 1 1 A 27 27 ALA CB C 27 18.240 19.343 -1.103 1
1 323 . 10 1 1 A 27 27 ALA N N 27 124.840 122.581 2.259 1
1 324 . 10 1 1 A 28 28 THR H H 28 8.260 8.812 -0.552 1
1 325 . 10 1 1 A 28 28 THR HA H 28 4.230 4.436 -0.206 1
1 330 . 10 1 1 A 28 28 THR C C 28 173.830 174.430 -0.600 1
1 331 . 10 1 1 A 28 28 THR CA C 28 62.180 62.153 0.027 1
1 332 . 10 1 1 A 28 28 THR CB C 28 69.240 69.320 -0.080 1
1 333 . 10 1 1 A 28 28 THR N N 28 112.480 112.016 0.464 1
1 334 . 10 1 1 A 29 29 ILE H H 29 7.460 7.593 -0.133 1
1 335 . 10 1 1 A 29 29 ILE HA H 29 4.540 4.685 -0.145 1
1 345 . 10 1 1 A 29 29 ILE C C 29 173.440 174.441 -1.001 1
1 346 . 10 1 1 A 29 29 ILE CA C 29 60.540 59.204 1.336 1
1 347 . 10 1 1 A 29 29 ILE CB C 29 40.780 41.956 -1.176 1
1 351 . 10 1 1 A 29 29 ILE N N 29 118.820 121.738 -2.918 1
1 352 . 10 1 1 A 30 30 THR H H 30 9.380 8.697 0.683 1
1 353 . 10 1 1 A 30 30 THR HA H 30 4.870 4.522 0.348 1
1 358 . 10 1 1 A 30 30 THR C C 30 173.600 174.129 -0.529 1
1 359 . 10 1 1 A 30 30 THR CA C 30 64.280 62.322 1.958 1
1 360 . 10 1 1 A 30 30 THR CB C 30 69.840 69.725 0.115 1
1 361 . 10 1 1 A 30 30 THR N N 30 129.290 119.837 9.453 1
1 362 . 10 1 1 A 31 31 CYS H H 31 9.180 8.370 0.810 1
1 363 . 10 1 1 A 31 31 CYS HA H 31 5.530 5.113 0.417 1
1 366 . 10 1 1 A 31 31 CYS C C 31 174.420 173.034 1.386 1
1 367 . 10 1 1 A 31 31 CYS CA C 31 56.540 57.285 -0.745 1
1 368 . 10 1 1 A 31 31 CYS CB C 31 30.780 30.156 0.624 1
1 369 . 10 1 1 A 31 31 CYS N N 31 122.220 124.836 -2.616 1
1 370 . 10 1 1 A 32 32 VAL H H 32 9.090 9.185 -0.095 1
1 371 . 10 1 1 A 32 32 VAL HA H 32 4.710 4.382 0.328 1
1 379 . 10 1 1 A 32 32 VAL CA C 32 57.300 58.365 -1.065 1
1 380 . 10 1 1 A 32 32 VAL CB C 32 32.860 34.935 -2.075 1
1 383 . 10 1 1 A 32 32 VAL N N 32 117.890 126.065 -8.175 1
1 384 . 10 1 1 A 33 33 PRO HA H 33 4.530 5.285 -0.755 1
1 391 . 10 1 1 A 33 33 PRO C C 33 178.110 177.789 0.321 1
1 392 . 10 1 1 A 33 33 PRO CA C 33 64.140 62.545 1.595 1
1 393 . 10 1 1 A 33 33 PRO CB C 33 32.200 31.991 0.209 1
1 396 . 10 1 1 A 34 34 GLU H H 34 8.380 8.581 -0.201 1
1 397 . 10 1 1 A 34 34 GLU HA H 34 3.730 3.907 -0.177 1
1 402 . 10 1 1 A 34 34 GLU C C 34 177.830 178.285 -0.455 1
1 403 . 10 1 1 A 34 34 GLU CA C 34 59.480 59.572 -0.092 1
1 404 . 10 1 1 A 34 34 GLU CB C 34 29.860 29.432 0.428 1
1 406 . 10 1 1 A 34 34 GLU N N 34 122.200 124.579 -2.379 1
1 407 . 10 1 1 A 35 35 ALA H H 35 9.050 8.135 0.915 1
1 408 . 10 1 1 A 35 35 ALA HA H 35 4.030 3.995 0.035 1
1 412 . 10 1 1 A 35 35 ALA C C 35 180.250 178.878 1.372 1
1 413 . 10 1 1 A 35 35 ALA CA C 35 54.850 54.766 0.084 1
1 414 . 10 1 1 A 35 35 ALA CB C 35 18.160 18.563 -0.403 1
1 415 . 10 1 1 A 35 35 ALA N N 35 123.090 122.005 1.085 1
1 416 . 10 1 1 A 36 36 PHE H H 36 7.510 8.557 -1.047 1
1 417 . 10 1 1 A 36 36 PHE HA H 36 4.370 4.421 -0.051 1
1 425 . 10 1 1 A 36 36 PHE C C 36 174.870 176.997 -2.127 1
1 426 . 10 1 1 A 36 36 PHE CA C 36 60.160 58.867 1.293 1
1 427 . 10 1 1 A 36 36 PHE CB C 36 38.930 39.566 -0.636 1
1 433 . 10 1 1 A 36 36 PHE N N 36 112.030 115.368 -3.338 1
1 434 . 10 1 1 A 37 37 LEU H H 37 7.640 8.176 -0.536 1
1 435 . 10 1 1 A 37 37 LEU HA H 37 4.230 4.524 -0.294 1
1 445 . 10 1 1 A 37 37 LEU C C 37 177.380 177.409 -0.029 1
1 446 . 10 1 1 A 37 37 LEU CA C 37 53.080 54.798 -1.718 1
1 447 . 10 1 1 A 37 37 LEU CB C 37 41.050 41.583 -0.533 1
1 451 . 10 1 1 A 37 37 LEU N N 37 116.800 118.002 -1.202 1
1 452 . 10 1 1 A 38 38 GLU H H 38 7.050 7.970 -0.920 1
1 453 . 10 1 1 A 38 38 GLU HA H 38 3.980 4.149 -0.169 1
1 458 . 10 1 1 A 38 38 GLU C C 38 176.630 176.769 -0.139 1
1 459 . 10 1 1 A 38 38 GLU CA C 38 59.250 59.167 0.083 1
1 460 . 10 1 1 A 38 38 GLU CB C 38 29.870 29.354 0.516 1
1 462 . 10 1 1 A 38 38 GLU N N 38 121.260 119.952 1.308 1
1 463 . 10 1 1 A 39 39 ASP H H 39 8.690 7.953 0.737 1
1 464 . 10 1 1 A 39 39 ASP HA H 39 4.700 4.892 -0.192 1
1 467 . 10 1 1 A 39 39 ASP C C 39 175.570 175.228 0.342 1
1 468 . 10 1 1 A 39 39 ASP CA C 39 53.760 53.625 0.135 1
1 469 . 10 1 1 A 39 39 ASP CB C 39 40.010 41.969 -1.959 1
1 470 . 10 1 1 A 39 39 ASP N N 39 115.590 117.504 -1.914 1
1 471 . 10 1 1 A 40 40 GLU H H 40 7.460 7.781 -0.321 1
1 472 . 10 1 1 A 40 40 GLU HA H 40 4.720 4.922 -0.202 1
1 477 . 10 1 1 A 40 40 GLU C C 40 175.660 176.004 -0.344 1
1 478 . 10 1 1 A 40 40 GLU CA C 40 54.240 54.836 -0.596 1
1 479 . 10 1 1 A 40 40 GLU CB C 40 31.240 31.361 -0.121 1
1 481 . 10 1 1 A 40 40 GLU N N 40 118.210 118.080 0.130 1
1 482 . 10 1 1 A 41 41 ARG H H 41 9.130 9.271 -0.141 1
1 483 . 10 1 1 A 41 41 ARG HA H 41 5.080 5.114 -0.034 1
1 490 . 10 1 1 A 41 41 ARG CA C 41 52.540 53.525 -0.985 1
1 491 . 10 1 1 A 41 41 ARG CB C 41 31.240 32.934 -1.694 1
1 494 . 10 1 1 A 41 41 ARG N N 41 121.830 119.058 2.772 1
1 495 . 10 1 1 A 42 42 PRO HA H 42 3.840 4.070 -0.230 1
1 502 . 10 1 1 A 42 42 PRO C C 42 177.180 177.197 -0.017 1
1 503 . 10 1 1 A 42 42 PRO CA C 42 63.010 61.892 1.118 1
1 504 . 10 1 1 A 42 42 PRO CB C 42 32.490 31.396 1.094 1
1 507 . 10 1 1 A 43 43 ILE H H 43 9.110 7.819 1.291 1
1 508 . 10 1 1 A 43 43 ILE HA H 43 4.410 4.086 0.324 1
1 518 . 10 1 1 A 43 43 ILE C C 43 176.220 175.960 0.260 1
1 519 . 10 1 1 A 43 43 ILE CA C 43 61.480 62.282 -0.802 1
1 520 . 10 1 1 A 43 43 ILE CB C 43 39.510 38.349 1.161 1
1 524 . 10 1 1 A 43 43 ILE N N 43 115.610 119.060 -3.450 1
1 525 . 10 1 1 A 44 44 GLN H H 44 7.750 7.564 0.186 1
1 526 . 10 1 1 A 44 44 GLN HA H 44 4.610 4.611 -0.001 1
1 533 . 10 1 1 A 44 44 GLN C C 44 173.610 173.220 0.390 1
1 534 . 10 1 1 A 44 44 GLN CA C 44 55.140 54.315 0.825 1
1 535 . 10 1 1 A 44 44 GLN CB C 44 31.460 30.828 0.632 1
1 537 . 10 1 1 A 44 44 GLN N N 44 118.360 118.546 -0.186 1
1 539 . 10 1 1 A 45 45 THR H H 45 8.560 8.688 -0.128 1
1 540 . 10 1 1 A 45 45 THR HA H 45 5.140 5.106 0.034 1
1 545 . 10 1 1 A 45 45 THR C C 45 177.830 173.480 4.350 1
1 546 . 10 1 1 A 45 45 THR CA C 45 61.450 60.011 1.439 1
1 547 . 10 1 1 A 45 45 THR CB C 45 71.380 71.864 -0.484 1
1 549 . 10 1 1 A 45 45 THR N N 45 115.470 110.272 5.198 1
1 550 . 10 1 1 A 46 46 MET H H 46 9.100 9.036 0.064 1
1 551 . 10 1 1 A 46 46 MET HA H 46 4.730 4.978 -0.248 1
1 556 . 10 1 1 A 46 46 MET C C 46 173.520 173.761 -0.241 1
1 557 . 10 1 1 A 46 46 MET CA C 46 54.560 54.376 0.184 1
1 558 . 10 1 1 A 46 46 MET CB C 46 36.500 37.153 -0.653 1
1 560 . 10 1 1 A 46 46 MET N N 46 123.160 121.041 2.119 1
1 561 . 10 1 1 A 47 47 LEU H H 47 8.490 8.726 -0.236 1
1 562 . 10 1 1 A 47 47 LEU HA H 47 4.730 5.005 -0.275 1
1 572 . 10 1 1 A 47 47 LEU C C 47 176.210 174.696 1.514 1
1 573 . 10 1 1 A 47 47 LEU CA C 47 54.440 53.663 0.777 1
1 574 . 10 1 1 A 47 47 LEU CB C 47 42.540 44.376 -1.836 1
1 578 . 10 1 1 A 47 47 LEU N N 47 124.300 124.791 -0.491 1
1 579 . 10 1 1 A 48 48 ILE H H 48 8.990 9.317 -0.327 1
1 580 . 10 1 1 A 48 48 ILE HA H 48 4.430 4.783 -0.353 1
1 590 . 10 1 1 A 48 48 ILE C C 48 175.040 174.514 0.526 1
1 591 . 10 1 1 A 48 48 ILE CA C 48 59.150 60.010 -0.860 1
1 592 . 10 1 1 A 48 48 ILE CB C 48 39.910 40.911 -1.001 1
1 596 . 10 1 1 A 48 48 ILE N N 48 125.760 128.071 -2.311 1
1 597 . 10 1 1 A 49 49 LYS H H 49 8.710 8.902 -0.192 1
1 598 . 10 1 1 A 49 49 LYS HA H 49 4.550 5.024 -0.474 1
1 607 . 10 1 1 A 49 49 LYS C C 49 176.060 176.049 0.011 1
1 608 . 10 1 1 A 49 49 LYS CA C 49 56.570 55.046 1.524 1
1 609 . 10 1 1 A 49 49 LYS CB C 49 33.010 35.097 -2.087 1
1 613 . 10 1 1 A 49 49 LYS N N 49 126.480 126.706 -0.226 1
1 614 . 10 1 1 A 50 50 THR H H 50 8.150 8.954 -0.804 1
1 615 . 10 1 1 A 50 50 THR HA H 50 4.860 5.013 -0.153 1
1 620 . 10 1 1 A 50 50 THR CA C 50 60.030 59.043 0.987 1
1 621 . 10 1 1 A 50 50 THR CB C 50 72.820 72.007 0.813 1
1 623 . 10 1 1 A 50 50 THR N N 50 116.220 114.221 1.999 1
1 624 . 10 1 1 A 51 51 ILE HA H 51 4.400 3.848 0.552 1
1 634 . 10 1 1 A 51 51 ILE C C 51 176.140 177.626 -1.486 1
1 635 . 10 1 1 A 51 51 ILE CA C 51 63.450 64.734 -1.284 1
1 636 . 10 1 1 A 51 51 ILE CB C 51 37.970 37.900 0.070 1
1 640 . 10 1 1 A 52 52 HIS H H 52 7.820 7.739 0.081 1
1 641 . 10 1 1 A 52 52 HIS HA H 52 4.830 4.326 0.504 1
1 644 . 10 1 1 A 52 52 HIS C C 52 175.190 175.240 -0.050 1
1 645 . 10 1 1 A 52 52 HIS CA C 52 55.670 58.556 -2.886 1
1 646 . 10 1 1 A 52 52 HIS CB C 52 31.260 30.003 1.257 1
1 647 . 10 1 1 A 52 52 HIS N N 52 118.280 118.738 -0.458 1
1 648 . 10 1 1 A 53 53 GLY H H 53 7.590 7.166 0.424 1
1 649 . 10 1 1 A 53 53 GLY HA2 H 53 3.880 4.012 -0.132 1
1 650 . 10 1 1 A 53 53 GLY HA3 H 53 4.510 4.022 0.488 1
1 651 . 10 1 1 A 53 53 GLY C C 53 173.360 171.716 1.644 1
1 652 . 10 1 1 A 53 53 GLY CA C 53 44.510 45.723 -1.213 1
1 653 . 10 1 1 A 53 53 GLY N N 53 108.490 104.318 4.172 1
1 654 . 10 1 1 A 54 54 GLU H H 54 8.710 8.489 0.221 1
1 655 . 10 1 1 A 54 54 GLU HA H 54 5.050 4.640 0.410 1
1 660 . 10 1 1 A 54 54 GLU C C 54 175.890 175.959 -0.069 1
1 661 . 10 1 1 A 54 54 GLU CA C 54 55.980 56.211 -0.231 1
1 662 . 10 1 1 A 54 54 GLU CB C 54 31.610 30.859 0.751 1
1 664 . 10 1 1 A 54 54 GLU N N 54 121.850 120.349 1.501 1
1 665 . 10 1 1 A 55 55 LYS H H 55 8.930 9.333 -0.403 1
1 666 . 10 1 1 A 55 55 LYS HA H 55 4.670 5.191 -0.521 1
1 675 . 10 1 1 A 55 55 LYS C C 55 174.630 174.500 0.130 1
1 676 . 10 1 1 A 55 55 LYS CA C 55 54.750 54.820 -0.070 1
1 677 . 10 1 1 A 55 55 LYS CB C 55 35.910 36.083 -0.173 1
1 681 . 10 1 1 A 55 55 LYS N N 55 123.380 123.846 -0.466 1
1 682 . 10 1 1 A 56 56 GLN H H 56 8.670 8.940 -0.270 1
1 683 . 10 1 1 A 56 56 GLN HA H 56 4.820 5.108 -0.288 1
1 688 . 10 1 1 A 56 56 GLN C C 56 175.780 174.632 1.148 1
1 689 . 10 1 1 A 56 56 GLN CA C 56 55.500 54.238 1.262 1
1 690 . 10 1 1 A 56 56 GLN CB C 56 29.470 32.089 -2.619 1
1 692 . 10 1 1 A 56 56 GLN N N 56 122.950 124.364 -1.414 1
1 693 . 10 1 1 A 57 57 GLN H H 57 9.210 8.638 0.572 1
1 694 . 10 1 1 A 57 57 GLN HA H 57 4.740 5.003 -0.263 1
1 701 . 10 1 1 A 57 57 GLN C C 57 174.100 174.102 -0.002 1
1 702 . 10 1 1 A 57 57 GLN CA C 57 54.760 54.550 0.210 1
1 703 . 10 1 1 A 57 57 GLN CB C 57 32.670 32.557 0.113 1
1 705 . 10 1 1 A 57 57 GLN N N 57 125.030 125.398 -0.368 1
1 707 . 10 1 1 A 58 58 ASP H H 58 8.570 8.909 -0.339 1
1 708 . 10 1 1 A 58 58 ASP HA H 58 4.860 5.251 -0.391 1
1 711 . 10 1 1 A 58 58 ASP C C 58 173.690 176.467 -2.777 1
1 712 . 10 1 1 A 58 58 ASP CA C 58 55.090 53.382 1.708 1
1 713 . 10 1 1 A 58 58 ASP CB C 58 42.120 42.917 -0.797 1
1 714 . 10 1 1 A 58 58 ASP N N 58 124.680 121.239 3.441 1
1 715 . 10 1 1 A 59 59 VAL H H 59 8.480 8.824 -0.344 1
1 716 . 10 1 1 A 59 59 VAL HA H 59 4.610 4.626 -0.016 1
1 724 . 10 1 1 A 59 59 VAL C C 59 174.600 175.345 -0.745 1
1 725 . 10 1 1 A 59 59 VAL CA C 59 61.130 61.654 -0.524 1
1 726 . 10 1 1 A 59 59 VAL CB C 59 34.250 32.277 1.973 1
1 729 . 10 1 1 A 59 59 VAL N N 59 121.270 122.800 -1.530 1
1 730 . 10 1 1 A 60 60 TYR H H 60 9.390 8.914 0.476 1
1 731 . 10 1 1 A 60 60 TYR HA H 60 4.800 4.962 -0.162 1
1 738 . 10 1 1 A 60 60 TYR C C 60 173.840 174.217 -0.377 1
1 739 . 10 1 1 A 60 60 TYR CA C 60 56.840 56.804 0.036 1
1 740 . 10 1 1 A 60 60 TYR CB C 60 41.190 42.427 -1.237 1
1 745 . 10 1 1 A 60 60 TYR N N 60 125.760 124.411 1.349 1
1 746 . 10 1 1 A 61 61 TYR H H 61 9.300 9.051 0.249 1
1 747 . 10 1 1 A 61 61 TYR HA H 61 5.370 5.199 0.171 1
1 754 . 10 1 1 A 61 61 TYR C C 61 174.300 174.351 -0.051 1
1 755 . 10 1 1 A 61 61 TYR CA C 61 57.490 57.081 0.409 1
1 756 . 10 1 1 A 61 61 TYR CB C 61 40.900 40.530 0.370 1
1 761 . 10 1 1 A 61 61 TYR N N 61 122.890 125.210 -2.320 1
1 762 . 10 1 1 A 62 62 LEU H H 62 8.770 8.803 -0.033 1
1 763 . 10 1 1 A 62 62 LEU HA H 62 4.780 5.118 -0.338 1
1 773 . 10 1 1 A 62 62 LEU C C 62 174.070 176.065 -1.995 1
1 774 . 10 1 1 A 62 62 LEU CA C 62 53.760 53.243 0.517 1
1 775 . 10 1 1 A 62 62 LEU CB C 62 49.020 45.855 3.165 1
1 779 . 10 1 1 A 62 62 LEU N N 62 129.700 129.021 0.679 1
1 780 . 10 1 1 A 63 63 THR H H 63 7.960 8.630 -0.670 1
1 781 . 10 1 1 A 63 63 THR HA H 63 5.410 5.253 0.157 1
1 786 . 10 1 1 A 63 63 THR C C 63 173.860 174.110 -0.250 1
1 787 . 10 1 1 A 63 63 THR CA C 63 60.850 61.170 -0.320 1
1 788 . 10 1 1 A 63 63 THR CB C 63 69.790 70.877 -1.087 1
1 790 . 10 1 1 A 63 63 THR N N 63 118.460 115.762 2.698 1
1 791 . 10 1 1 A 64 64 PHE H H 64 9.270 8.522 0.748 1
1 792 . 10 1 1 A 64 64 PHE HA H 64 5.100 5.515 -0.415 1
1 800 . 10 1 1 A 64 64 PHE C C 64 172.280 172.585 -0.305 1
1 801 . 10 1 1 A 64 64 PHE CA C 64 56.020 55.422 0.598 1
1 802 . 10 1 1 A 64 64 PHE CB C 64 38.350 41.882 -3.532 1
1 808 . 10 1 1 A 64 64 PHE N N 64 123.960 122.874 1.086 1
1 809 . 10 1 1 A 65 65 LYS H H 65 8.750 8.831 -0.081 1
1 810 . 10 1 1 A 65 65 LYS HA H 65 5.500 4.896 0.604 1
1 819 . 10 1 1 A 65 65 LYS C C 65 176.300 175.604 0.696 1
1 820 . 10 1 1 A 65 65 LYS CA C 65 54.900 55.887 -0.987 1
1 821 . 10 1 1 A 65 65 LYS CB C 65 37.730 33.690 4.040 1
1 825 . 10 1 1 A 65 65 LYS N N 65 117.930 119.758 -1.828 1
1 826 . 10 1 1 A 66 66 VAL H H 66 8.840 9.351 -0.511 1
1 827 . 10 1 1 A 66 66 VAL HA H 66 4.520 4.583 -0.063 1
1 835 . 10 1 1 A 66 66 VAL C C 66 175.550 176.061 -0.511 1
1 836 . 10 1 1 A 66 66 VAL CA C 66 62.130 61.262 0.868 1
1 837 . 10 1 1 A 66 66 VAL CB C 66 35.100 32.498 2.602 1
1 840 . 10 1 1 A 66 66 VAL N N 66 119.330 124.951 -5.621 1
1 841 . 10 1 1 A 67 67 GLN H H 67 9.690 9.516 0.174 1
1 842 . 10 1 1 A 67 67 GLN HA H 67 4.050 4.079 -0.029 1
1 849 . 10 1 1 A 67 67 GLN C C 67 176.300 176.248 0.052 1
1 850 . 10 1 1 A 67 67 GLN CA C 67 56.720 57.137 -0.417 1
1 851 . 10 1 1 A 67 67 GLN CB C 67 28.230 26.802 1.428 1
1 853 . 10 1 1 A 67 67 GLN N N 67 125.930 128.760 -2.830 1
1 855 . 10 1 1 A 68 68 GLY H H 68 8.980 8.704 0.276 1
1 856 . 10 1 1 A 68 68 GLY HA2 H 68 3.510 3.859 -0.349 1
1 857 . 10 1 1 A 68 68 GLY HA3 H 68 4.140 3.865 0.275 1
1 858 . 10 1 1 A 68 68 GLY C C 68 173.410 173.795 -0.385 1
1 859 . 10 1 1 A 68 68 GLY CA C 68 45.460 45.847 -0.387 1
1 860 . 10 1 1 A 68 68 GLY N N 68 103.510 104.353 -0.843 1
1 861 . 10 1 1 A 69 69 ARG H H 69 8.070 7.796 0.274 1
1 862 . 10 1 1 A 69 69 ARG HA H 69 4.400 4.606 -0.206 1
1 869 . 10 1 1 A 69 69 ARG C C 69 174.880 174.616 0.264 1
1 870 . 10 1 1 A 69 69 ARG CA C 69 54.730 54.268 0.462 1
1 871 . 10 1 1 A 69 69 ARG CB C 69 31.520 32.702 -1.182 1
1 874 . 10 1 1 A 69 69 ARG N N 69 122.680 119.727 2.953 1
1 875 . 10 1 1 A 70 70 LYS H H 70 8.390 8.628 -0.238 1
1 876 . 10 1 1 A 70 70 LYS HA H 70 4.220 4.293 -0.073 1
1 885 . 10 1 1 A 70 70 LYS C C 70 175.330 174.922 0.408 1
1 886 . 10 1 1 A 70 70 LYS CA C 70 57.860 56.905 0.955 1
1 887 . 10 1 1 A 70 70 LYS CB C 70 32.790 32.674 0.116 1
1 891 . 10 1 1 A 70 70 LYS N N 70 123.590 126.680 -3.090 1
1 892 . 10 1 1 A 71 71 VAL H H 71 9.050 8.439 0.611 1
1 893 . 10 1 1 A 71 71 VAL HA H 71 4.140 4.498 -0.358 1
1 901 . 10 1 1 A 71 71 VAL C C 71 173.310 174.051 -0.741 1
1 902 . 10 1 1 A 71 71 VAL CA C 71 61.370 60.573 0.797 1
1 903 . 10 1 1 A 71 71 VAL CB C 71 34.610 35.257 -0.647 1
1 906 . 10 1 1 A 71 71 VAL N N 71 128.340 126.803 1.537 1
1 907 . 10 1 1 A 72 72 GLU H H 72 8.150 8.605 -0.455 1
1 908 . 10 1 1 A 72 72 GLU HA H 72 4.970 4.996 -0.026 1
1 913 . 10 1 1 A 72 72 GLU C C 72 174.910 175.572 -0.662 1
1 914 . 10 1 1 A 72 72 GLU CA C 72 54.490 55.010 -0.520 1
1 915 . 10 1 1 A 72 72 GLU CB C 72 31.410 32.107 -0.697 1
1 917 . 10 1 1 A 72 72 GLU N N 72 124.430 125.501 -1.071 1
1 918 . 10 1 1 A 73 73 ALA H H 73 8.420 8.174 0.246 1
1 919 . 10 1 1 A 73 73 ALA HA H 73 4.770 4.741 0.029 1
1 923 . 10 1 1 A 73 73 ALA C C 73 175.140 176.016 -0.876 1
1 924 . 10 1 1 A 73 73 ALA CA C 73 51.050 50.920 0.130 1
1 925 . 10 1 1 A 73 73 ALA CB C 73 23.060 23.279 -0.219 1
1 926 . 10 1 1 A 73 73 ALA N N 73 124.790 122.910 1.880 1
1 927 . 10 1 1 A 74 74 GLU H H 74 8.520 8.518 0.002 1
1 928 . 10 1 1 A 74 74 GLU HA H 74 5.260 5.225 0.035 1
1 933 . 10 1 1 A 74 74 GLU C C 74 176.570 176.460 0.110 1
1 934 . 10 1 1 A 74 74 GLU CA C 74 55.770 57.003 -1.233 1
1 935 . 10 1 1 A 74 74 GLU CB C 74 29.840 30.249 -0.409 1
1 937 . 10 1 1 A 74 74 GLU N N 74 120.480 118.848 1.632 1
1 938 . 10 1 1 A 75 75 VAL H H 75 9.240 10.021 -0.781 1
1 939 . 10 1 1 A 75 75 VAL HA H 75 5.730 5.029 0.701 1
1 947 . 10 1 1 A 75 75 VAL C C 75 174.700 173.747 0.953 1
1 948 . 10 1 1 A 75 75 VAL CA C 75 57.950 59.097 -1.147 1
1 949 . 10 1 1 A 75 75 VAL CB C 75 36.540 35.491 1.049 1
1 952 . 10 1 1 A 75 75 VAL N N 75 113.070 118.845 -5.775 1
1 953 . 10 1 1 A 76 76 LEU H H 76 8.420 8.549 -0.129 1
1 954 . 10 1 1 A 76 76 LEU HA H 76 5.110 5.081 0.029 1
1 964 . 10 1 1 A 76 76 LEU C C 76 176.970 176.376 0.594 1
1 965 . 10 1 1 A 76 76 LEU CA C 76 52.370 53.167 -0.797 1
1 966 . 10 1 1 A 76 76 LEU CB C 76 45.230 44.989 0.241 1
1 970 . 10 1 1 A 76 76 LEU N N 76 117.790 125.636 -7.846 1
1 971 . 10 1 1 A 77 77 ALA H H 77 8.930 8.434 0.496 1
1 972 . 10 1 1 A 77 77 ALA HA H 77 4.500 5.023 -0.523 1
1 976 . 10 1 1 A 77 77 ALA C C 77 177.950 176.731 1.219 1
1 977 . 10 1 1 A 77 77 ALA CA C 77 52.090 52.172 -0.082 1
1 978 . 10 1 1 A 77 77 ALA CB C 77 20.280 19.410 0.870 1
1 979 . 10 1 1 A 77 77 ALA N N 77 122.210 127.969 -5.759 1
1 980 . 10 1 1 A 78 78 SER H H 78 8.380 8.311 0.069 1
1 981 . 10 1 1 A 78 78 SER HA H 78 5.010 4.855 0.155 1
1 984 . 10 1 1 A 78 78 SER CA C 78 54.230 55.389 -1.159 1
1 985 . 10 1 1 A 78 78 SER CB C 78 66.050 65.855 0.195 1
1 986 . 10 1 1 A 78 78 SER N N 78 117.830 116.290 1.540 1
1 987 . 10 1 1 A 79 79 PRO HA H 79 4.660 4.504 0.156 1
1 994 . 10 1 1 A 79 79 PRO C C 79 176.150 175.963 0.187 1
1 995 . 10 1 1 A 79 79 PRO CA C 79 62.860 63.308 -0.448 1
1 996 . 10 1 1 A 79 79 PRO CB C 79 31.230 31.928 -0.698 1
1 999 . 10 1 1 A 80 80 TYR H H 80 7.380 7.312 0.068 1
1 1000 . 10 1 1 A 80 80 TYR HA H 80 4.710 4.715 -0.005 1
1 1007 . 10 1 1 A 80 80 TYR C C 80 175.550 175.982 -0.432 1
1 1008 . 10 1 1 A 80 80 TYR CA C 80 56.150 57.584 -1.434 1
1 1009 . 10 1 1 A 80 80 TYR CB C 80 38.490 39.158 -0.668 1
1 1014 . 10 1 1 A 80 80 TYR N N 80 120.860 120.615 0.245 1
1 1015 . 10 1 1 A 81 81 ASP H H 81 8.290 9.074 -0.784 1
1 1016 . 10 1 1 A 81 81 ASP HA H 81 4.640 5.038 -0.398 1
1 1019 . 10 1 1 A 81 81 ASP C C 81 175.290 175.096 0.194 1
1 1020 . 10 1 1 A 81 81 ASP CA C 81 53.560 53.394 0.166 1
1 1021 . 10 1 1 A 81 81 ASP CB C 81 40.650 41.518 -0.868 1
1 1022 . 10 1 1 A 81 81 ASP N N 81 115.600 118.786 -3.186 1
1 1023 . 10 1 1 A 82 82 TYR H H 82 6.680 7.661 -0.981 1
1 1024 . 10 1 1 A 82 82 TYR HA H 82 5.160 5.014 0.146 1
1 1031 . 10 1 1 A 82 82 TYR C C 82 173.930 172.672 1.258 1
1 1032 . 10 1 1 A 82 82 TYR CA C 82 53.190 56.409 -3.219 1
1 1033 . 10 1 1 A 82 82 TYR CB C 82 40.820 40.389 0.431 1
1 1038 . 10 1 1 A 82 82 TYR N N 82 116.100 116.421 -0.321 1
1 1039 . 10 1 1 A 83 83 ILE H H 83 8.900 8.633 0.267 1
1 1040 . 10 1 1 A 83 83 ILE HA H 83 4.480 4.467 0.013 1
1 1050 . 10 1 1 A 83 83 ILE C C 83 175.160 174.910 0.250 1
1 1051 . 10 1 1 A 83 83 ILE CA C 83 60.940 59.800 1.140 1
1 1052 . 10 1 1 A 83 83 ILE CB C 83 40.980 41.193 -0.213 1
1 1056 . 10 1 1 A 83 83 ILE N N 83 119.050 119.169 -0.119 1
1 1057 . 10 1 1 A 84 84 LEU H H 84 8.740 8.757 -0.017 1
1 1058 . 10 1 1 A 84 84 LEU HA H 84 5.140 4.719 0.421 1
1 1068 . 10 1 1 A 84 84 LEU C C 84 174.920 176.097 -1.177 1
1 1069 . 10 1 1 A 84 84 LEU CA C 84 53.800 54.334 -0.534 1
1 1070 . 10 1 1 A 84 84 LEU CB C 84 44.100 42.196 1.904 1
1 1074 . 10 1 1 A 84 84 LEU N N 84 130.660 127.847 2.813 1
1 1075 . 10 1 1 A 85 85 LEU H H 85 9.010 8.863 0.147 1
1 1076 . 10 1 1 A 85 85 LEU HA H 85 4.470 4.953 -0.483 1
1 1086 . 10 1 1 A 85 85 LEU C C 85 174.660 175.260 -0.600 1
1 1087 . 10 1 1 A 85 85 LEU CA C 85 54.080 53.351 0.729 1
1 1088 . 10 1 1 A 85 85 LEU CB C 85 44.350 44.186 0.164 1
1 1092 . 10 1 1 A 85 85 LEU N N 85 125.210 123.224 1.986 1
1 1093 . 10 1 1 A 86 86 ASN H H 86 8.370 8.527 -0.157 1
1 1094 . 10 1 1 A 86 86 ASN HA H 86 4.680 4.860 -0.180 1
1 1099 . 10 1 1 A 86 86 ASN CA C 86 49.780 50.464 -0.684 1
1 1100 . 10 1 1 A 86 86 ASN CB C 86 38.890 40.613 -1.723 1
1 1101 . 10 1 1 A 86 86 ASN N N 86 122.970 122.465 0.505 1
1 1103 . 10 1 1 A 87 87 PRO HA H 87 3.600 4.529 -0.929 1
1 1110 . 10 1 1 A 87 87 PRO C C 87 178.740 178.716 0.024 1
1 1111 . 10 1 1 A 87 87 PRO CA C 87 65.050 64.863 0.187 1
1 1112 . 10 1 1 A 87 87 PRO CB C 87 33.160 31.991 1.169 1
1 1115 . 10 1 1 A 88 88 SER H H 88 7.580 9.071 -1.491 1
1 1116 . 10 1 1 A 88 88 SER HA H 88 4.100 4.200 -0.100 1
1 1119 . 10 1 1 A 88 88 SER C C 88 175.480 176.613 -1.133 1
1 1120 . 10 1 1 A 88 88 SER CA C 88 60.730 61.306 -0.576 1
1 1121 . 10 1 1 A 88 88 SER CB C 88 62.870 63.052 -0.182 1
1 1122 . 10 1 1 A 88 88 SER N N 88 109.530 114.353 -4.823 1
1 1123 . 10 1 1 A 89 89 ASP H H 89 8.170 8.285 -0.115 1
1 1124 . 10 1 1 A 89 89 ASP HA H 89 4.770 4.557 0.213 1
1 1127 . 10 1 1 A 89 89 ASP C C 89 175.730 177.060 -1.330 1
1 1128 . 10 1 1 A 89 89 ASP CA C 89 56.030 56.734 -0.704 1
1 1129 . 10 1 1 A 89 89 ASP CB C 89 41.380 41.210 0.170 1
1 1130 . 10 1 1 A 89 89 ASP N N 89 118.600 121.022 -2.422 1
1 1131 . 10 1 1 A 90 90 VAL H H 90 7.050 7.105 -0.055 1
1 1132 . 10 1 1 A 90 90 VAL HA H 90 4.050 3.007 1.043 1
1 1140 . 10 1 1 A 90 90 VAL CA C 90 56.960 58.398 -1.438 1
1 1141 . 10 1 1 A 90 90 VAL CB C 90 31.710 31.202 0.508 1
1 1144 . 10 1 1 A 90 90 VAL N N 90 109.580 112.471 -2.891 1
1 1145 . 10 1 1 A 91 91 PRO HA H 91 4.250 4.375 -0.125 1
1 1152 . 10 1 1 A 91 91 PRO C C 91 176.870 177.680 -0.810 1
1 1153 . 10 1 1 A 91 91 PRO CA C 91 65.190 64.425 0.765 1
1 1154 . 10 1 1 A 91 91 PRO CB C 91 31.470 31.835 -0.365 1
1 1157 . 10 1 1 A 92 92 TRP H H 92 6.720 7.671 -0.951 1
1 1158 . 10 1 1 A 92 92 TRP HA H 92 4.570 4.455 0.115 1
1 1167 . 10 1 1 A 92 92 TRP C C 92 176.630 178.171 -1.541 1
1 1168 . 10 1 1 A 92 92 TRP CA C 92 56.910 59.891 -2.981 1
1 1169 . 10 1 1 A 92 92 TRP CB C 92 27.990 28.251 -0.261 1
1 1175 . 10 1 1 A 92 92 TRP N N 92 115.110 117.702 -2.592 1
1 1177 . 10 1 1 A 93 93 LEU H H 93 7.150 7.309 -0.159 1
1 1178 . 10 1 1 A 93 93 LEU HA H 93 4.220 3.993 0.227 1
1 1188 . 10 1 1 A 93 93 LEU C C 93 176.210 176.213 -0.003 1
1 1189 . 10 1 1 A 93 93 LEU CA C 93 55.350 57.662 -2.312 1
1 1190 . 10 1 1 A 93 93 LEU CB C 93 42.190 41.598 0.592 1
1 1194 . 10 1 1 A 93 93 LEU N N 93 123.090 123.510 -0.420 1
1 1195 . 10 1 1 A 94 94 MET H H 94 7.730 7.706 0.024 1
1 1196 . 10 1 1 A 94 94 MET HA H 94 4.340 4.588 -0.248 1
1 1201 . 10 1 1 A 94 94 MET C C 94 175.550 175.436 0.114 1
1 1202 . 10 1 1 A 94 94 MET CA C 94 55.120 53.648 1.472 1
1 1203 . 10 1 1 A 94 94 MET CB C 94 32.630 33.071 -0.441 1
1 1205 . 10 1 1 A 94 94 MET N N 94 118.250 117.665 0.585 1
1 1206 . 10 1 1 A 95 95 LYS H H 95 7.950 8.609 -0.659 1
1 1207 . 10 1 1 A 95 95 LYS HA H 95 4.260 4.727 -0.467 1
1 1210 . 10 1 1 A 95 95 LYS C C 95 176.130 176.769 -0.639 1
1 1211 . 10 1 1 A 95 95 LYS CA C 95 56.150 54.122 2.028 1
1 1212 . 10 1 1 A 95 95 LYS CB C 95 33.010 34.582 -1.572 1
1 1213 . 10 1 1 A 95 95 LYS N N 95 121.650 123.652 -2.002 1
1 1214 . 10 1 1 A 96 96 LYS H H 96 8.260 8.325 -0.065 1
1 1215 . 10 1 1 A 96 96 LYS N N 96 123.570 122.591 0.979 1
1 1216 . 10 1 1 A 97 97 PRO HA H 97 4.530 4.516 0.014 1
1 1219 . 10 1 1 A 97 97 PRO C C 97 176.830 175.544 1.286 1
1 1220 . 10 1 1 A 97 97 PRO CA C 97 63.180 62.606 0.574 1
1 1221 . 10 1 1 A 97 97 PRO CB C 97 32.050 32.404 -0.354 1
1 88 . 11 1 1 A 9 9 PRO HA H 9 4.410 4.259 0.151 1
1 95 . 11 1 1 A 9 9 PRO C C 9 176.460 176.909 -0.449 1
1 96 . 11 1 1 A 9 9 PRO CA C 9 63.030 62.249 0.781 1
1 97 . 11 1 1 A 9 9 PRO CB C 9 32.210 31.780 0.430 1
1 100 . 11 1 1 A 10 10 LEU H H 10 9.190 8.943 0.247 1
1 101 . 11 1 1 A 10 10 LEU HA H 10 4.640 4.559 0.081 1
1 111 . 11 1 1 A 10 10 LEU C C 10 176.620 176.824 -0.204 1
1 112 . 11 1 1 A 10 10 LEU CA C 10 53.420 54.020 -0.600 1
1 113 . 11 1 1 A 10 10 LEU CB C 10 44.290 42.978 1.312 1
1 117 . 11 1 1 A 10 10 LEU N N 10 123.060 122.452 0.608 1
1 118 . 11 1 1 A 11 11 GLU H H 11 8.720 8.425 0.295 1
1 119 . 11 1 1 A 11 11 GLU HA H 11 4.490 5.055 -0.565 1
1 124 . 11 1 1 A 11 11 GLU C C 11 176.620 175.859 0.761 1
1 125 . 11 1 1 A 11 11 GLU CA C 11 57.060 55.234 1.826 1
1 126 . 11 1 1 A 11 11 GLU CB C 11 30.820 31.951 -1.131 1
1 128 . 11 1 1 A 11 11 GLU N N 11 121.330 119.935 1.395 1
1 129 . 11 1 1 A 12 12 ALA H H 12 8.760 8.676 0.084 1
1 130 . 11 1 1 A 12 12 ALA HA H 12 5.390 5.233 0.157 1
1 134 . 11 1 1 A 12 12 ALA C C 12 176.040 175.082 0.958 1
1 135 . 11 1 1 A 12 12 ALA CA C 12 50.350 51.455 -1.105 1
1 136 . 11 1 1 A 12 12 ALA CB C 12 24.490 23.349 1.141 1
1 137 . 11 1 1 A 12 12 ALA N N 12 127.010 123.437 3.573 1
1 138 . 11 1 1 A 13 13 GLU H H 13 8.850 9.141 -0.291 1
1 139 . 11 1 1 A 13 13 GLU HA H 13 5.240 5.627 -0.387 1
1 144 . 11 1 1 A 13 13 GLU C C 13 175.320 174.966 0.354 1
1 145 . 11 1 1 A 13 13 GLU CA C 13 55.580 54.931 0.649 1
1 146 . 11 1 1 A 13 13 GLU CB C 13 34.410 32.831 1.579 1
1 148 . 11 1 1 A 13 13 GLU N N 13 119.980 121.752 -1.772 1
1 149 . 11 1 1 A 14 14 ILE H H 14 8.420 9.171 -0.751 1
1 150 . 11 1 1 A 14 14 ILE HA H 14 4.210 4.657 -0.447 1
1 160 . 11 1 1 A 14 14 ILE C C 14 174.520 175.972 -1.452 1
1 161 . 11 1 1 A 14 14 ILE CA C 14 61.000 59.979 1.021 1
1 162 . 11 1 1 A 14 14 ILE CB C 14 40.430 39.325 1.105 1
1 166 . 11 1 1 A 14 14 ILE N N 14 123.990 127.297 -3.307 1
1 167 . 11 1 1 A 15 15 LYS H H 15 9.590 9.355 0.235 1
1 168 . 11 1 1 A 15 15 LYS HA H 15 3.880 4.058 -0.178 1
1 177 . 11 1 1 A 15 15 LYS C C 15 176.880 176.678 0.202 1
1 178 . 11 1 1 A 15 15 LYS CA C 15 57.890 57.502 0.388 1
1 179 . 11 1 1 A 15 15 LYS CB C 15 30.550 30.296 0.254 1
1 183 . 11 1 1 A 15 15 LYS N N 15 124.930 128.618 -3.688 1
1 184 . 11 1 1 A 16 16 GLY H H 16 8.730 8.425 0.305 1
1 185 . 11 1 1 A 16 16 GLY HA2 H 16 3.670 3.912 -0.242 1
1 186 . 11 1 1 A 16 16 GLY HA3 H 16 4.230 3.915 0.315 1
1 187 . 11 1 1 A 16 16 GLY C C 16 174.360 174.337 0.023 1
1 188 . 11 1 1 A 16 16 GLY CA C 16 45.540 45.321 0.219 1
1 189 . 11 1 1 A 16 16 GLY N N 16 104.580 106.169 -1.589 1
1 190 . 11 1 1 A 17 17 THR H H 17 8.400 8.271 0.129 1
1 191 . 11 1 1 A 17 17 THR HA H 17 4.490 4.257 0.233 1
1 196 . 11 1 1 A 17 17 THR C C 17 172.970 174.080 -1.110 1
1 197 . 11 1 1 A 17 17 THR CA C 17 62.580 63.704 -1.124 1
1 198 . 11 1 1 A 17 17 THR CB C 17 70.320 69.268 1.052 1
1 200 . 11 1 1 A 17 17 THR N N 17 120.070 116.416 3.654 1
1 201 . 11 1 1 A 18 18 LYS H H 18 8.750 8.770 -0.020 1
1 202 . 11 1 1 A 18 18 LYS HA H 18 4.920 4.990 -0.070 1
1 211 . 11 1 1 A 18 18 LYS C C 18 175.860 175.200 0.660 1
1 212 . 11 1 1 A 18 18 LYS CA C 18 56.350 55.649 0.701 1
1 213 . 11 1 1 A 18 18 LYS CB C 18 32.940 33.796 -0.856 1
1 217 . 11 1 1 A 18 18 LYS N N 18 127.270 128.175 -0.905 1
1 218 . 11 1 1 A 19 19 LEU H H 19 8.750 8.955 -0.205 1
1 219 . 11 1 1 A 19 19 LEU HA H 19 4.850 5.059 -0.209 1
1 229 . 11 1 1 A 19 19 LEU C C 19 174.210 175.984 -1.774 1
1 230 . 11 1 1 A 19 19 LEU CA C 19 55.160 53.482 1.678 1
1 231 . 11 1 1 A 19 19 LEU CB C 19 43.340 46.018 -2.678 1
1 235 . 11 1 1 A 19 19 LEU N N 19 123.470 127.441 -3.971 1
1 236 . 11 1 1 A 20 20 LYS H H 20 8.660 8.464 0.196 1
1 237 . 11 1 1 A 20 20 LYS HA H 20 5.180 4.749 0.431 1
1 246 . 11 1 1 A 20 20 LYS C C 20 175.650 175.742 -0.092 1
1 247 . 11 1 1 A 20 20 LYS CA C 20 54.630 56.083 -1.453 1
1 248 . 11 1 1 A 20 20 LYS CB C 20 34.710 33.934 0.776 1
1 252 . 11 1 1 A 20 20 LYS N N 20 118.320 120.745 -2.425 1
1 253 . 11 1 1 A 21 21 ALA H H 21 8.860 9.029 -0.169 1
1 254 . 11 1 1 A 21 21 ALA HA H 21 5.470 5.415 0.055 1
1 258 . 11 1 1 A 21 21 ALA C C 21 174.740 175.679 -0.939 1
1 259 . 11 1 1 A 21 21 ALA CA C 21 49.510 50.579 -1.069 1
1 260 . 11 1 1 A 21 21 ALA CB C 21 22.990 24.100 -1.110 1
1 261 . 11 1 1 A 21 21 ALA N N 21 120.460 122.061 -1.601 1
1 262 . 11 1 1 A 22 22 HIS H H 22 9.140 9.208 -0.068 1
1 263 . 11 1 1 A 22 22 HIS HA H 22 5.070 5.352 -0.282 1
1 268 . 11 1 1 A 22 22 HIS C C 22 174.310 174.005 0.305 1
1 269 . 11 1 1 A 22 22 HIS CA C 22 54.040 53.472 0.568 1
1 270 . 11 1 1 A 22 22 HIS CB C 22 32.390 34.021 -1.631 1
1 272 . 11 1 1 A 22 22 HIS N N 22 119.890 116.027 3.863 1
1 273 . 11 1 1 A 23 23 TRP H H 23 9.160 9.111 0.049 1
1 274 . 11 1 1 A 23 23 TRP HA H 23 4.360 4.838 -0.478 1
1 283 . 11 1 1 A 23 23 TRP C C 23 175.070 174.816 0.254 1
1 284 . 11 1 1 A 23 23 TRP CA C 23 59.160 56.628 2.532 1
1 285 . 11 1 1 A 23 23 TRP CB C 23 30.710 30.330 0.380 1
1 291 . 11 1 1 A 23 23 TRP N N 23 126.610 125.684 0.926 1
1 293 . 11 1 1 A 24 24 ASP H H 24 7.720 8.047 -0.327 1
1 294 . 11 1 1 A 24 24 ASP HA H 24 4.880 4.804 0.076 1
1 297 . 11 1 1 A 24 24 ASP C C 24 175.340 175.354 -0.014 1
1 298 . 11 1 1 A 24 24 ASP CA C 24 53.030 52.397 0.633 1
1 299 . 11 1 1 A 24 24 ASP CB C 24 43.510 41.952 1.558 1
1 300 . 11 1 1 A 24 24 ASP N N 24 126.750 128.376 -1.626 1
1 301 . 11 1 1 A 25 25 SER H H 25 8.490 8.347 0.143 1
1 302 . 11 1 1 A 25 25 SER HA H 25 3.580 3.519 0.061 1
1 305 . 11 1 1 A 25 25 SER C C 25 175.340 176.587 -1.247 1
1 306 . 11 1 1 A 25 25 SER CA C 25 60.640 60.839 -0.199 1
1 307 . 11 1 1 A 25 25 SER CB C 25 62.990 62.360 0.630 1
1 308 . 11 1 1 A 25 25 SER N N 25 119.220 119.514 -0.294 1
1 309 . 11 1 1 A 26 26 GLY H H 26 8.670 7.769 0.901 1
1 310 . 11 1 1 A 26 26 GLY HA2 H 26 3.630 3.862 -0.232 1
1 311 . 11 1 1 A 26 26 GLY HA3 H 26 4.200 3.869 0.331 1
1 312 . 11 1 1 A 26 26 GLY C C 26 174.190 174.719 -0.529 1
1 313 . 11 1 1 A 26 26 GLY CA C 26 44.760 46.722 -1.962 1
1 314 . 11 1 1 A 26 26 GLY N N 26 109.290 109.301 -0.011 1
1 315 . 11 1 1 A 27 27 ALA H H 27 7.550 7.228 0.322 1
1 316 . 11 1 1 A 27 27 ALA HA H 27 4.370 4.273 0.097 1
1 320 . 11 1 1 A 27 27 ALA C C 27 178.430 177.273 1.157 1
1 321 . 11 1 1 A 27 27 ALA CA C 27 52.240 52.180 0.060 1
1 322 . 11 1 1 A 27 27 ALA CB C 27 18.240 19.662 -1.422 1
1 323 . 11 1 1 A 27 27 ALA N N 27 124.840 123.224 1.616 1
1 324 . 11 1 1 A 28 28 THR H H 28 8.260 8.929 -0.669 1
1 325 . 11 1 1 A 28 28 THR HA H 28 4.230 4.545 -0.315 1
1 330 . 11 1 1 A 28 28 THR C C 28 173.830 174.419 -0.589 1
1 331 . 11 1 1 A 28 28 THR CA C 28 62.180 62.091 0.089 1
1 332 . 11 1 1 A 28 28 THR CB C 28 69.240 69.367 -0.127 1
1 333 . 11 1 1 A 28 28 THR N N 28 112.480 116.646 -4.166 1
1 334 . 11 1 1 A 29 29 ILE H H 29 7.460 7.458 0.002 1
1 335 . 11 1 1 A 29 29 ILE HA H 29 4.540 4.691 -0.151 1
1 345 . 11 1 1 A 29 29 ILE C C 29 173.440 174.378 -0.938 1
1 346 . 11 1 1 A 29 29 ILE CA C 29 60.540 59.494 1.046 1
1 347 . 11 1 1 A 29 29 ILE CB C 29 40.780 41.745 -0.965 1
1 351 . 11 1 1 A 29 29 ILE N N 29 118.820 121.439 -2.619 1
1 352 . 11 1 1 A 30 30 THR H H 30 9.380 8.590 0.790 1
1 353 . 11 1 1 A 30 30 THR HA H 30 4.870 4.277 0.593 1
1 358 . 11 1 1 A 30 30 THR C C 30 173.600 173.877 -0.277 1
1 359 . 11 1 1 A 30 30 THR CA C 30 64.280 63.124 1.156 1
1 360 . 11 1 1 A 30 30 THR CB C 30 69.840 69.444 0.396 1
1 361 . 11 1 1 A 30 30 THR N N 30 129.290 120.657 8.633 1
1 362 . 11 1 1 A 31 31 CYS H H 31 9.180 8.210 0.970 1
1 363 . 11 1 1 A 31 31 CYS HA H 31 5.530 5.074 0.456 1
1 366 . 11 1 1 A 31 31 CYS C C 31 174.420 172.790 1.630 1
1 367 . 11 1 1 A 31 31 CYS CA C 31 56.540 57.419 -0.879 1
1 368 . 11 1 1 A 31 31 CYS CB C 31 30.780 31.296 -0.516 1
1 369 . 11 1 1 A 31 31 CYS N N 31 122.220 123.606 -1.386 1
1 370 . 11 1 1 A 32 32 VAL H H 32 9.090 9.217 -0.127 1
1 371 . 11 1 1 A 32 32 VAL HA H 32 4.710 4.375 0.335 1
1 379 . 11 1 1 A 32 32 VAL CA C 32 57.300 58.672 -1.372 1
1 380 . 11 1 1 A 32 32 VAL CB C 32 32.860 35.225 -2.365 1
1 383 . 11 1 1 A 32 32 VAL N N 32 117.890 124.511 -6.621 1
1 384 . 11 1 1 A 33 33 PRO HA H 33 4.530 5.273 -0.743 1
1 391 . 11 1 1 A 33 33 PRO C C 33 178.110 177.799 0.311 1
1 392 . 11 1 1 A 33 33 PRO CA C 33 64.140 62.545 1.595 1
1 393 . 11 1 1 A 33 33 PRO CB C 33 32.200 31.971 0.229 1
1 396 . 11 1 1 A 34 34 GLU H H 34 8.380 8.623 -0.243 1
1 397 . 11 1 1 A 34 34 GLU HA H 34 3.730 3.855 -0.125 1
1 402 . 11 1 1 A 34 34 GLU C C 34 177.830 178.368 -0.538 1
1 403 . 11 1 1 A 34 34 GLU CA C 34 59.480 59.554 -0.074 1
1 404 . 11 1 1 A 34 34 GLU CB C 34 29.860 29.430 0.430 1
1 406 . 11 1 1 A 34 34 GLU N N 34 122.200 124.581 -2.381 1
1 407 . 11 1 1 A 35 35 ALA H H 35 9.050 8.127 0.923 1
1 408 . 11 1 1 A 35 35 ALA HA H 35 4.030 4.018 0.012 1
1 412 . 11 1 1 A 35 35 ALA C C 35 180.250 178.564 1.686 1
1 413 . 11 1 1 A 35 35 ALA CA C 35 54.850 54.744 0.106 1
1 414 . 11 1 1 A 35 35 ALA CB C 35 18.160 18.445 -0.285 1
1 415 . 11 1 1 A 35 35 ALA N N 35 123.090 121.745 1.345 1
1 416 . 11 1 1 A 36 36 PHE H H 36 7.510 8.530 -1.020 1
1 417 . 11 1 1 A 36 36 PHE HA H 36 4.370 4.359 0.011 1
1 425 . 11 1 1 A 36 36 PHE C C 36 174.870 176.746 -1.876 1
1 426 . 11 1 1 A 36 36 PHE CA C 36 60.160 58.971 1.189 1
1 427 . 11 1 1 A 36 36 PHE CB C 36 38.930 39.777 -0.847 1
1 433 . 11 1 1 A 36 36 PHE N N 36 112.030 115.818 -3.788 1
1 434 . 11 1 1 A 37 37 LEU H H 37 7.640 8.604 -0.964 1
1 435 . 11 1 1 A 37 37 LEU HA H 37 4.230 4.427 -0.197 1
1 445 . 11 1 1 A 37 37 LEU C C 37 177.380 177.110 0.270 1
1 446 . 11 1 1 A 37 37 LEU CA C 37 53.080 54.744 -1.664 1
1 447 . 11 1 1 A 37 37 LEU CB C 37 41.050 41.333 -0.283 1
1 451 . 11 1 1 A 37 37 LEU N N 37 116.800 118.357 -1.557 1
1 452 . 11 1 1 A 38 38 GLU H H 38 7.050 7.597 -0.547 1
1 453 . 11 1 1 A 38 38 GLU HA H 38 3.980 3.989 -0.009 1
1 458 . 11 1 1 A 38 38 GLU C C 38 176.630 177.355 -0.725 1
1 459 . 11 1 1 A 38 38 GLU CA C 38 59.250 59.571 -0.321 1
1 460 . 11 1 1 A 38 38 GLU CB C 38 29.870 29.525 0.345 1
1 462 . 11 1 1 A 38 38 GLU N N 38 121.260 121.594 -0.334 1
1 463 . 11 1 1 A 39 39 ASP H H 39 8.690 7.824 0.866 1
1 464 . 11 1 1 A 39 39 ASP HA H 39 4.700 4.858 -0.158 1
1 467 . 11 1 1 A 39 39 ASP C C 39 175.570 175.039 0.531 1
1 468 . 11 1 1 A 39 39 ASP CA C 39 53.760 54.009 -0.249 1
1 469 . 11 1 1 A 39 39 ASP CB C 39 40.010 41.670 -1.660 1
1 470 . 11 1 1 A 39 39 ASP N N 39 115.590 116.464 -0.874 1
1 471 . 11 1 1 A 40 40 GLU H H 40 7.460 7.854 -0.394 1
1 472 . 11 1 1 A 40 40 GLU HA H 40 4.720 4.903 -0.183 1
1 477 . 11 1 1 A 40 40 GLU C C 40 175.660 175.684 -0.024 1
1 478 . 11 1 1 A 40 40 GLU CA C 40 54.240 55.127 -0.887 1
1 479 . 11 1 1 A 40 40 GLU CB C 40 31.240 33.102 -1.862 1
1 481 . 11 1 1 A 40 40 GLU N N 40 118.210 116.876 1.334 1
1 482 . 11 1 1 A 41 41 ARG H H 41 9.130 8.783 0.347 1
1 483 . 11 1 1 A 41 41 ARG HA H 41 5.080 5.099 -0.019 1
1 490 . 11 1 1 A 41 41 ARG CA C 41 52.540 52.671 -0.131 1
1 491 . 11 1 1 A 41 41 ARG CB C 41 31.240 33.000 -1.760 1
1 494 . 11 1 1 A 41 41 ARG N N 41 121.830 119.892 1.938 1
1 495 . 11 1 1 A 42 42 PRO HA H 42 3.840 4.170 -0.330 1
1 502 . 11 1 1 A 42 42 PRO C C 42 177.180 177.221 -0.041 1
1 503 . 11 1 1 A 42 42 PRO CA C 42 63.010 61.954 1.056 1
1 504 . 11 1 1 A 42 42 PRO CB C 42 32.490 31.269 1.221 1
1 507 . 11 1 1 A 43 43 ILE H H 43 9.110 8.221 0.889 1
1 508 . 11 1 1 A 43 43 ILE HA H 43 4.410 3.982 0.428 1
1 518 . 11 1 1 A 43 43 ILE C C 43 176.220 175.996 0.224 1
1 519 . 11 1 1 A 43 43 ILE CA C 43 61.480 62.926 -1.446 1
1 520 . 11 1 1 A 43 43 ILE CB C 43 39.510 38.186 1.324 1
1 524 . 11 1 1 A 43 43 ILE N N 43 115.610 119.174 -3.564 1
1 525 . 11 1 1 A 44 44 GLN H H 44 7.750 7.612 0.138 1
1 526 . 11 1 1 A 44 44 GLN HA H 44 4.610 4.789 -0.179 1
1 533 . 11 1 1 A 44 44 GLN C C 44 173.610 174.153 -0.543 1
1 534 . 11 1 1 A 44 44 GLN CA C 44 55.140 54.158 0.982 1
1 535 . 11 1 1 A 44 44 GLN CB C 44 31.460 33.706 -2.246 1
1 537 . 11 1 1 A 44 44 GLN N N 44 118.360 119.638 -1.278 1
1 539 . 11 1 1 A 45 45 THR H H 45 8.560 8.766 -0.206 1
1 540 . 11 1 1 A 45 45 THR HA H 45 5.140 5.117 0.023 1
1 545 . 11 1 1 A 45 45 THR C C 45 177.830 173.071 4.759 1
1 546 . 11 1 1 A 45 45 THR CA C 45 61.450 60.014 1.436 1
1 547 . 11 1 1 A 45 45 THR CB C 45 71.380 71.744 -0.364 1
1 549 . 11 1 1 A 45 45 THR N N 45 115.470 112.593 2.877 1
1 550 . 11 1 1 A 46 46 MET H H 46 9.100 9.360 -0.260 1
1 551 . 11 1 1 A 46 46 MET HA H 46 4.730 5.118 -0.388 1
1 556 . 11 1 1 A 46 46 MET C C 46 173.520 174.169 -0.649 1
1 557 . 11 1 1 A 46 46 MET CA C 46 54.560 54.445 0.115 1
1 558 . 11 1 1 A 46 46 MET CB C 46 36.500 36.048 0.452 1
1 560 . 11 1 1 A 46 46 MET N N 46 123.160 121.921 1.239 1
1 561 . 11 1 1 A 47 47 LEU H H 47 8.490 8.679 -0.189 1
1 562 . 11 1 1 A 47 47 LEU HA H 47 4.730 4.956 -0.226 1
1 572 . 11 1 1 A 47 47 LEU C C 47 176.210 176.291 -0.081 1
1 573 . 11 1 1 A 47 47 LEU CA C 47 54.440 53.767 0.673 1
1 574 . 11 1 1 A 47 47 LEU CB C 47 42.540 43.562 -1.022 1
1 578 . 11 1 1 A 47 47 LEU N N 47 124.300 125.775 -1.475 1
1 579 . 11 1 1 A 48 48 ILE H H 48 8.990 9.348 -0.358 1
1 580 . 11 1 1 A 48 48 ILE HA H 48 4.430 4.967 -0.537 1
1 590 . 11 1 1 A 48 48 ILE C C 48 175.040 174.034 1.006 1
1 591 . 11 1 1 A 48 48 ILE CA C 48 59.150 59.958 -0.808 1
1 592 . 11 1 1 A 48 48 ILE CB C 48 39.910 41.032 -1.122 1
1 596 . 11 1 1 A 48 48 ILE N N 48 125.760 124.796 0.964 1
1 597 . 11 1 1 A 49 49 LYS H H 49 8.710 8.952 -0.242 1
1 598 . 11 1 1 A 49 49 LYS HA H 49 4.550 5.145 -0.595 1
1 607 . 11 1 1 A 49 49 LYS C C 49 176.060 175.057 1.003 1
1 608 . 11 1 1 A 49 49 LYS CA C 49 56.570 54.561 2.009 1
1 609 . 11 1 1 A 49 49 LYS CB C 49 33.010 35.652 -2.642 1
1 613 . 11 1 1 A 49 49 LYS N N 49 126.480 128.511 -2.031 1
1 614 . 11 1 1 A 50 50 THR H H 50 8.150 9.061 -0.911 1
1 615 . 11 1 1 A 50 50 THR HA H 50 4.860 4.950 -0.090 1
1 620 . 11 1 1 A 50 50 THR CA C 50 60.030 59.488 0.542 1
1 621 . 11 1 1 A 50 50 THR CB C 50 72.820 71.893 0.927 1
1 623 . 11 1 1 A 50 50 THR N N 50 116.220 117.090 -0.870 1
1 624 . 11 1 1 A 51 51 ILE HA H 51 4.400 3.722 0.678 1
1 634 . 11 1 1 A 51 51 ILE C C 51 176.140 177.603 -1.463 1
1 635 . 11 1 1 A 51 51 ILE CA C 51 63.450 65.146 -1.696 1
1 636 . 11 1 1 A 51 51 ILE CB C 51 37.970 37.757 0.213 1
1 640 . 11 1 1 A 52 52 HIS H H 52 7.820 7.790 0.030 1
1 641 . 11 1 1 A 52 52 HIS HA H 52 4.830 4.194 0.636 1
1 644 . 11 1 1 A 52 52 HIS C C 52 175.190 175.310 -0.120 1
1 645 . 11 1 1 A 52 52 HIS CA C 52 55.670 58.127 -2.457 1
1 646 . 11 1 1 A 52 52 HIS CB C 52 31.260 29.739 1.521 1
1 647 . 11 1 1 A 52 52 HIS N N 52 118.280 118.486 -0.206 1
1 648 . 11 1 1 A 53 53 GLY H H 53 7.590 7.430 0.160 1
1 649 . 11 1 1 A 53 53 GLY HA2 H 53 3.880 4.006 -0.126 1
1 650 . 11 1 1 A 53 53 GLY HA3 H 53 4.510 4.014 0.496 1
1 651 . 11 1 1 A 53 53 GLY C C 53 173.360 171.437 1.923 1
1 652 . 11 1 1 A 53 53 GLY CA C 53 44.510 45.935 -1.425 1
1 653 . 11 1 1 A 53 53 GLY N N 53 108.490 103.585 4.905 1
1 654 . 11 1 1 A 54 54 GLU H H 54 8.710 8.522 0.188 1
1 655 . 11 1 1 A 54 54 GLU HA H 54 5.050 5.162 -0.112 1
1 660 . 11 1 1 A 54 54 GLU C C 54 175.890 175.023 0.867 1
1 661 . 11 1 1 A 54 54 GLU CA C 54 55.980 55.021 0.959 1
1 662 . 11 1 1 A 54 54 GLU CB C 54 31.610 33.038 -1.428 1
1 664 . 11 1 1 A 54 54 GLU N N 54 121.850 120.867 0.983 1
1 665 . 11 1 1 A 55 55 LYS H H 55 8.930 9.302 -0.372 1
1 666 . 11 1 1 A 55 55 LYS HA H 55 4.670 5.099 -0.429 1
1 675 . 11 1 1 A 55 55 LYS C C 55 174.630 175.032 -0.402 1
1 676 . 11 1 1 A 55 55 LYS CA C 55 54.750 54.785 -0.035 1
1 677 . 11 1 1 A 55 55 LYS CB C 55 35.910 35.871 0.039 1
1 681 . 11 1 1 A 55 55 LYS N N 55 123.380 125.731 -2.351 1
1 682 . 11 1 1 A 56 56 GLN H H 56 8.670 8.404 0.266 1
1 683 . 11 1 1 A 56 56 GLN HA H 56 4.820 5.105 -0.285 1
1 688 . 11 1 1 A 56 56 GLN C C 56 175.780 174.981 0.799 1
1 689 . 11 1 1 A 56 56 GLN CA C 56 55.500 54.254 1.246 1
1 690 . 11 1 1 A 56 56 GLN CB C 56 29.470 31.936 -2.466 1
1 692 . 11 1 1 A 56 56 GLN N N 56 122.950 120.806 2.144 1
1 693 . 11 1 1 A 57 57 GLN H H 57 9.210 8.911 0.299 1
1 694 . 11 1 1 A 57 57 GLN HA H 57 4.740 5.046 -0.306 1
1 701 . 11 1 1 A 57 57 GLN C C 57 174.100 174.053 0.047 1
1 702 . 11 1 1 A 57 57 GLN CA C 57 54.760 54.252 0.508 1
1 703 . 11 1 1 A 57 57 GLN CB C 57 32.670 33.004 -0.334 1
1 705 . 11 1 1 A 57 57 GLN N N 57 125.030 121.920 3.110 1
1 707 . 11 1 1 A 58 58 ASP H H 58 8.570 8.894 -0.324 1
1 708 . 11 1 1 A 58 58 ASP HA H 58 4.860 5.484 -0.624 1
1 711 . 11 1 1 A 58 58 ASP C C 58 173.690 176.122 -2.432 1
1 712 . 11 1 1 A 58 58 ASP CA C 58 55.090 52.881 2.209 1
1 713 . 11 1 1 A 58 58 ASP CB C 58 42.120 43.540 -1.420 1
1 714 . 11 1 1 A 58 58 ASP N N 58 124.680 121.261 3.419 1
1 715 . 11 1 1 A 59 59 VAL H H 59 8.480 9.036 -0.556 1
1 716 . 11 1 1 A 59 59 VAL HA H 59 4.610 5.002 -0.392 1
1 724 . 11 1 1 A 59 59 VAL C C 59 174.600 174.501 0.099 1
1 725 . 11 1 1 A 59 59 VAL CA C 59 61.130 60.461 0.669 1
1 726 . 11 1 1 A 59 59 VAL CB C 59 34.250 33.760 0.490 1
1 729 . 11 1 1 A 59 59 VAL N N 59 121.270 118.315 2.955 1
1 730 . 11 1 1 A 60 60 TYR H H 60 9.390 9.342 0.048 1
1 731 . 11 1 1 A 60 60 TYR HA H 60 4.800 5.025 -0.225 1
1 738 . 11 1 1 A 60 60 TYR C C 60 173.840 174.299 -0.459 1
1 739 . 11 1 1 A 60 60 TYR CA C 60 56.840 56.779 0.061 1
1 740 . 11 1 1 A 60 60 TYR CB C 60 41.190 41.131 0.059 1
1 745 . 11 1 1 A 60 60 TYR N N 60 125.760 121.836 3.924 1
1 746 . 11 1 1 A 61 61 TYR H H 61 9.300 9.077 0.223 1
1 747 . 11 1 1 A 61 61 TYR HA H 61 5.370 4.942 0.428 1
1 754 . 11 1 1 A 61 61 TYR C C 61 174.300 174.553 -0.253 1
1 755 . 11 1 1 A 61 61 TYR CA C 61 57.490 57.309 0.181 1
1 756 . 11 1 1 A 61 61 TYR CB C 61 40.900 39.163 1.737 1
1 761 . 11 1 1 A 61 61 TYR N N 61 122.890 126.206 -3.316 1
1 762 . 11 1 1 A 62 62 LEU H H 62 8.770 8.720 0.050 1
1 763 . 11 1 1 A 62 62 LEU HA H 62 4.780 5.135 -0.355 1
1 773 . 11 1 1 A 62 62 LEU C C 62 174.070 175.716 -1.646 1
1 774 . 11 1 1 A 62 62 LEU CA C 62 53.760 53.281 0.479 1
1 775 . 11 1 1 A 62 62 LEU CB C 62 49.020 45.875 3.145 1
1 779 . 11 1 1 A 62 62 LEU N N 62 129.700 129.009 0.691 1
1 780 . 11 1 1 A 63 63 THR H H 63 7.960 8.613 -0.653 1
1 781 . 11 1 1 A 63 63 THR HA H 63 5.410 5.053 0.357 1
1 786 . 11 1 1 A 63 63 THR C C 63 173.860 174.077 -0.217 1
1 787 . 11 1 1 A 63 63 THR CA C 63 60.850 61.258 -0.408 1
1 788 . 11 1 1 A 63 63 THR CB C 63 69.790 70.149 -0.359 1
1 790 . 11 1 1 A 63 63 THR N N 63 118.460 115.790 2.670 1
1 791 . 11 1 1 A 64 64 PHE H H 64 9.270 8.698 0.572 1
1 792 . 11 1 1 A 64 64 PHE HA H 64 5.100 5.956 -0.856 1
1 800 . 11 1 1 A 64 64 PHE C C 64 172.280 172.645 -0.365 1
1 801 . 11 1 1 A 64 64 PHE CA C 64 56.020 55.072 0.948 1
1 802 . 11 1 1 A 64 64 PHE CB C 64 38.350 42.431 -4.081 1
1 808 . 11 1 1 A 64 64 PHE N N 64 123.960 123.201 0.759 1
1 809 . 11 1 1 A 65 65 LYS H H 65 8.750 9.053 -0.303 1
1 810 . 11 1 1 A 65 65 LYS HA H 65 5.500 5.104 0.396 1
1 819 . 11 1 1 A 65 65 LYS C C 65 176.300 175.682 0.618 1
1 820 . 11 1 1 A 65 65 LYS CA C 65 54.900 55.840 -0.940 1
1 821 . 11 1 1 A 65 65 LYS CB C 65 37.730 33.649 4.081 1
1 825 . 11 1 1 A 65 65 LYS N N 65 117.930 119.995 -2.065 1
1 826 . 11 1 1 A 66 66 VAL H H 66 8.840 9.419 -0.579 1
1 827 . 11 1 1 A 66 66 VAL HA H 66 4.520 4.610 -0.090 1
1 835 . 11 1 1 A 66 66 VAL C C 66 175.550 175.911 -0.361 1
1 836 . 11 1 1 A 66 66 VAL CA C 66 62.130 61.263 0.867 1
1 837 . 11 1 1 A 66 66 VAL CB C 66 35.100 31.870 3.230 1
1 840 . 11 1 1 A 66 66 VAL N N 66 119.330 125.385 -6.055 1
1 841 . 11 1 1 A 67 67 GLN H H 67 9.690 9.234 0.456 1
1 842 . 11 1 1 A 67 67 GLN HA H 67 4.050 4.078 -0.028 1
1 849 . 11 1 1 A 67 67 GLN C C 67 176.300 176.190 0.110 1
1 850 . 11 1 1 A 67 67 GLN CA C 67 56.720 57.120 -0.400 1
1 851 . 11 1 1 A 67 67 GLN CB C 67 28.230 26.712 1.518 1
1 853 . 11 1 1 A 67 67 GLN N N 67 125.930 128.697 -2.767 1
1 855 . 11 1 1 A 68 68 GLY H H 68 8.980 8.646 0.334 1
1 856 . 11 1 1 A 68 68 GLY HA2 H 68 3.510 3.807 -0.297 1
1 857 . 11 1 1 A 68 68 GLY HA3 H 68 4.140 3.816 0.324 1
1 858 . 11 1 1 A 68 68 GLY C C 68 173.410 173.820 -0.410 1
1 859 . 11 1 1 A 68 68 GLY CA C 68 45.460 45.586 -0.126 1
1 860 . 11 1 1 A 68 68 GLY N N 68 103.510 104.737 -1.227 1
1 861 . 11 1 1 A 69 69 ARG H H 69 8.070 7.828 0.242 1
1 862 . 11 1 1 A 69 69 ARG HA H 69 4.400 4.509 -0.109 1
1 869 . 11 1 1 A 69 69 ARG C C 69 174.880 174.796 0.084 1
1 870 . 11 1 1 A 69 69 ARG CA C 69 54.730 54.340 0.390 1
1 871 . 11 1 1 A 69 69 ARG CB C 69 31.520 32.377 -0.857 1
1 874 . 11 1 1 A 69 69 ARG N N 69 122.680 119.887 2.793 1
1 875 . 11 1 1 A 70 70 LYS H H 70 8.390 8.599 -0.209 1
1 876 . 11 1 1 A 70 70 LYS HA H 70 4.220 4.403 -0.183 1
1 885 . 11 1 1 A 70 70 LYS C C 70 175.330 174.949 0.381 1
1 886 . 11 1 1 A 70 70 LYS CA C 70 57.860 56.601 1.259 1
1 887 . 11 1 1 A 70 70 LYS CB C 70 32.790 32.637 0.153 1
1 891 . 11 1 1 A 70 70 LYS N N 70 123.590 125.981 -2.391 1
1 892 . 11 1 1 A 71 71 VAL H H 71 9.050 8.252 0.798 1
1 893 . 11 1 1 A 71 71 VAL HA H 71 4.140 4.538 -0.398 1
1 901 . 11 1 1 A 71 71 VAL C C 71 173.310 174.186 -0.876 1
1 902 . 11 1 1 A 71 71 VAL CA C 71 61.370 60.547 0.823 1
1 903 . 11 1 1 A 71 71 VAL CB C 71 34.610 35.371 -0.761 1
1 906 . 11 1 1 A 71 71 VAL N N 71 128.340 126.996 1.344 1
1 907 . 11 1 1 A 72 72 GLU H H 72 8.150 8.648 -0.498 1
1 908 . 11 1 1 A 72 72 GLU HA H 72 4.970 5.065 -0.095 1
1 913 . 11 1 1 A 72 72 GLU C C 72 174.910 175.503 -0.593 1
1 914 . 11 1 1 A 72 72 GLU CA C 72 54.490 54.949 -0.459 1
1 915 . 11 1 1 A 72 72 GLU CB C 72 31.410 32.328 -0.918 1
1 917 . 11 1 1 A 72 72 GLU N N 72 124.430 125.431 -1.001 1
1 918 . 11 1 1 A 73 73 ALA H H 73 8.420 8.146 0.274 1
1 919 . 11 1 1 A 73 73 ALA HA H 73 4.770 4.595 0.175 1
1 923 . 11 1 1 A 73 73 ALA C C 73 175.140 175.918 -0.778 1
1 924 . 11 1 1 A 73 73 ALA CA C 73 51.050 50.842 0.208 1
1 925 . 11 1 1 A 73 73 ALA CB C 73 23.060 23.264 -0.204 1
1 926 . 11 1 1 A 73 73 ALA N N 73 124.790 122.865 1.925 1
1 927 . 11 1 1 A 74 74 GLU H H 74 8.520 8.459 0.061 1
1 928 . 11 1 1 A 74 74 GLU HA H 74 5.260 4.974 0.286 1
1 933 . 11 1 1 A 74 74 GLU C C 74 176.570 176.450 0.120 1
1 934 . 11 1 1 A 74 74 GLU CA C 74 55.770 56.837 -1.067 1
1 935 . 11 1 1 A 74 74 GLU CB C 74 29.840 30.284 -0.444 1
1 937 . 11 1 1 A 74 74 GLU N N 74 120.480 119.060 1.420 1
1 938 . 11 1 1 A 75 75 VAL H H 75 9.240 9.461 -0.221 1
1 939 . 11 1 1 A 75 75 VAL HA H 75 5.730 5.100 0.630 1
1 947 . 11 1 1 A 75 75 VAL C C 75 174.700 174.336 0.364 1
1 948 . 11 1 1 A 75 75 VAL CA C 75 57.950 59.236 -1.286 1
1 949 . 11 1 1 A 75 75 VAL CB C 75 36.540 35.168 1.372 1
1 952 . 11 1 1 A 75 75 VAL N N 75 113.070 118.800 -5.730 1
1 953 . 11 1 1 A 76 76 LEU H H 76 8.420 8.440 -0.020 1
1 954 . 11 1 1 A 76 76 LEU HA H 76 5.110 4.780 0.330 1
1 964 . 11 1 1 A 76 76 LEU C C 76 176.970 176.924 0.046 1
1 965 . 11 1 1 A 76 76 LEU CA C 76 52.370 53.635 -1.265 1
1 966 . 11 1 1 A 76 76 LEU CB C 76 45.230 43.019 2.211 1
1 970 . 11 1 1 A 76 76 LEU N N 76 117.790 125.180 -7.390 1
1 971 . 11 1 1 A 77 77 ALA H H 77 8.930 8.473 0.457 1
1 972 . 11 1 1 A 77 77 ALA HA H 77 4.500 5.056 -0.556 1
1 976 . 11 1 1 A 77 77 ALA C C 77 177.950 176.828 1.122 1
1 977 . 11 1 1 A 77 77 ALA CA C 77 52.090 52.275 -0.185 1
1 978 . 11 1 1 A 77 77 ALA CB C 77 20.280 19.407 0.873 1
1 979 . 11 1 1 A 77 77 ALA N N 77 122.210 127.323 -5.113 1
1 980 . 11 1 1 A 78 78 SER H H 78 8.380 8.369 0.011 1
1 981 . 11 1 1 A 78 78 SER HA H 78 5.010 5.012 -0.002 1
1 984 . 11 1 1 A 78 78 SER CA C 78 54.230 55.679 -1.449 1
1 985 . 11 1 1 A 78 78 SER CB C 78 66.050 66.208 -0.158 1
1 986 . 11 1 1 A 78 78 SER N N 78 117.830 116.443 1.387 1
1 987 . 11 1 1 A 79 79 PRO HA H 79 4.660 4.502 0.158 1
1 994 . 11 1 1 A 79 79 PRO C C 79 176.150 175.937 0.213 1
1 995 . 11 1 1 A 79 79 PRO CA C 79 62.860 63.347 -0.487 1
1 996 . 11 1 1 A 79 79 PRO CB C 79 31.230 31.760 -0.530 1
1 999 . 11 1 1 A 80 80 TYR H H 80 7.380 7.385 -0.005 1
1 1000 . 11 1 1 A 80 80 TYR HA H 80 4.710 4.759 -0.049 1
1 1007 . 11 1 1 A 80 80 TYR C C 80 175.550 175.503 0.047 1
1 1008 . 11 1 1 A 80 80 TYR CA C 80 56.150 57.806 -1.656 1
1 1009 . 11 1 1 A 80 80 TYR CB C 80 38.490 39.257 -0.767 1
1 1014 . 11 1 1 A 80 80 TYR N N 80 120.860 120.692 0.168 1
1 1015 . 11 1 1 A 81 81 ASP H H 81 8.290 9.437 -1.147 1
1 1016 . 11 1 1 A 81 81 ASP HA H 81 4.640 5.018 -0.378 1
1 1019 . 11 1 1 A 81 81 ASP C C 81 175.290 175.167 0.123 1
1 1020 . 11 1 1 A 81 81 ASP CA C 81 53.560 54.456 -0.896 1
1 1021 . 11 1 1 A 81 81 ASP CB C 81 40.650 41.778 -1.128 1
1 1022 . 11 1 1 A 81 81 ASP N N 81 115.600 120.815 -5.215 1
1 1023 . 11 1 1 A 82 82 TYR H H 82 6.680 7.656 -0.976 1
1 1024 . 11 1 1 A 82 82 TYR HA H 82 5.160 5.279 -0.119 1
1 1031 . 11 1 1 A 82 82 TYR C C 82 173.930 173.147 0.783 1
1 1032 . 11 1 1 A 82 82 TYR CA C 82 53.190 55.698 -2.508 1
1 1033 . 11 1 1 A 82 82 TYR CB C 82 40.820 41.532 -0.712 1
1 1038 . 11 1 1 A 82 82 TYR N N 82 116.100 116.422 -0.322 1
1 1039 . 11 1 1 A 83 83 ILE H H 83 8.900 8.756 0.144 1
1 1040 . 11 1 1 A 83 83 ILE HA H 83 4.480 4.553 -0.073 1
1 1050 . 11 1 1 A 83 83 ILE C C 83 175.160 174.850 0.310 1
1 1051 . 11 1 1 A 83 83 ILE CA C 83 60.940 59.469 1.471 1
1 1052 . 11 1 1 A 83 83 ILE CB C 83 40.980 41.475 -0.495 1
1 1056 . 11 1 1 A 83 83 ILE N N 83 119.050 119.678 -0.628 1
1 1057 . 11 1 1 A 84 84 LEU H H 84 8.740 8.700 0.040 1
1 1058 . 11 1 1 A 84 84 LEU HA H 84 5.140 5.413 -0.273 1
1 1068 . 11 1 1 A 84 84 LEU C C 84 174.920 175.472 -0.552 1
1 1069 . 11 1 1 A 84 84 LEU CA C 84 53.800 53.239 0.561 1
1 1070 . 11 1 1 A 84 84 LEU CB C 84 44.100 44.420 -0.320 1
1 1074 . 11 1 1 A 84 84 LEU N N 84 130.660 125.911 4.749 1
1 1075 . 11 1 1 A 85 85 LEU H H 85 9.010 9.557 -0.547 1
1 1076 . 11 1 1 A 85 85 LEU HA H 85 4.470 4.921 -0.451 1
1 1086 . 11 1 1 A 85 85 LEU C C 85 174.660 175.576 -0.916 1
1 1087 . 11 1 1 A 85 85 LEU CA C 85 54.080 53.736 0.344 1
1 1088 . 11 1 1 A 85 85 LEU CB C 85 44.350 42.877 1.473 1
1 1092 . 11 1 1 A 85 85 LEU N N 85 125.210 124.329 0.881 1
1 1093 . 11 1 1 A 86 86 ASN H H 86 8.370 8.667 -0.297 1
1 1094 . 11 1 1 A 86 86 ASN HA H 86 4.680 4.686 -0.006 1
1 1099 . 11 1 1 A 86 86 ASN CA C 86 49.780 50.907 -1.127 1
1 1100 . 11 1 1 A 86 86 ASN CB C 86 38.890 39.902 -1.012 1
1 1101 . 11 1 1 A 86 86 ASN N N 86 122.970 124.100 -1.130 1
1 1103 . 11 1 1 A 87 87 PRO HA H 87 3.600 4.713 -1.113 1
1 1110 . 11 1 1 A 87 87 PRO C C 87 178.740 177.674 1.066 1
1 1111 . 11 1 1 A 87 87 PRO CA C 87 65.050 64.448 0.602 1
1 1112 . 11 1 1 A 87 87 PRO CB C 87 33.160 31.934 1.226 1
1 1115 . 11 1 1 A 88 88 SER H H 88 7.580 8.133 -0.553 1
1 1116 . 11 1 1 A 88 88 SER HA H 88 4.100 4.247 -0.147 1
1 1119 . 11 1 1 A 88 88 SER C C 88 175.480 176.043 -0.563 1
1 1120 . 11 1 1 A 88 88 SER CA C 88 60.730 60.840 -0.110 1
1 1121 . 11 1 1 A 88 88 SER CB C 88 62.870 62.648 0.222 1
1 1122 . 11 1 1 A 88 88 SER N N 88 109.530 112.167 -2.637 1
1 1123 . 11 1 1 A 89 89 ASP H H 89 8.170 8.585 -0.415 1
1 1124 . 11 1 1 A 89 89 ASP HA H 89 4.770 4.421 0.349 1
1 1127 . 11 1 1 A 89 89 ASP C C 89 175.730 176.393 -0.663 1
1 1128 . 11 1 1 A 89 89 ASP CA C 89 56.030 56.078 -0.048 1
1 1129 . 11 1 1 A 89 89 ASP CB C 89 41.380 39.608 1.772 1
1 1130 . 11 1 1 A 89 89 ASP N N 89 118.600 118.595 0.005 1
1 1131 . 11 1 1 A 90 90 VAL H H 90 7.050 7.221 -0.171 1
1 1132 . 11 1 1 A 90 90 VAL HA H 90 4.050 3.036 1.014 1
1 1140 . 11 1 1 A 90 90 VAL CA C 90 56.960 58.427 -1.467 1
1 1141 . 11 1 1 A 90 90 VAL CB C 90 31.710 31.283 0.427 1
1 1144 . 11 1 1 A 90 90 VAL N N 90 109.580 115.210 -5.630 1
1 1145 . 11 1 1 A 91 91 PRO HA H 91 4.250 4.374 -0.124 1
1 1152 . 11 1 1 A 91 91 PRO C C 91 176.870 177.777 -0.907 1
1 1153 . 11 1 1 A 91 91 PRO CA C 91 65.190 64.463 0.727 1
1 1154 . 11 1 1 A 91 91 PRO CB C 91 31.470 31.826 -0.356 1
1 1157 . 11 1 1 A 92 92 TRP H H 92 6.720 7.831 -1.111 1
1 1158 . 11 1 1 A 92 92 TRP HA H 92 4.570 4.446 0.124 1
1 1167 . 11 1 1 A 92 92 TRP C C 92 176.630 178.073 -1.443 1
1 1168 . 11 1 1 A 92 92 TRP CA C 92 56.910 59.946 -3.036 1
1 1169 . 11 1 1 A 92 92 TRP CB C 92 27.990 28.404 -0.414 1
1 1175 . 11 1 1 A 92 92 TRP N N 92 115.110 117.885 -2.775 1
1 1177 . 11 1 1 A 93 93 LEU H H 93 7.150 7.222 -0.072 1
1 1178 . 11 1 1 A 93 93 LEU HA H 93 4.220 3.988 0.232 1
1 1188 . 11 1 1 A 93 93 LEU C C 93 176.210 176.318 -0.108 1
1 1189 . 11 1 1 A 93 93 LEU CA C 93 55.350 57.697 -2.347 1
1 1190 . 11 1 1 A 93 93 LEU CB C 93 42.190 41.380 0.810 1
1 1194 . 11 1 1 A 93 93 LEU N N 93 123.090 123.509 -0.419 1
1 1195 . 11 1 1 A 94 94 MET H H 94 7.730 7.570 0.160 1
1 1196 . 11 1 1 A 94 94 MET HA H 94 4.340 4.359 -0.019 1
1 1201 . 11 1 1 A 94 94 MET C C 94 175.550 176.730 -1.180 1
1 1202 . 11 1 1 A 94 94 MET CA C 94 55.120 54.436 0.684 1
1 1203 . 11 1 1 A 94 94 MET CB C 94 32.630 32.788 -0.158 1
1 1205 . 11 1 1 A 94 94 MET N N 94 118.250 117.317 0.933 1
1 1206 . 11 1 1 A 95 95 LYS H H 95 7.950 8.643 -0.693 1
1 1207 . 11 1 1 A 95 95 LYS HA H 95 4.260 4.015 0.245 1
1 1210 . 11 1 1 A 95 95 LYS C C 95 176.130 177.016 -0.886 1
1 1211 . 11 1 1 A 95 95 LYS CA C 95 56.150 59.735 -3.585 1
1 1212 . 11 1 1 A 95 95 LYS CB C 95 33.010 32.389 0.621 1
1 1213 . 11 1 1 A 95 95 LYS N N 95 121.650 123.849 -2.199 1
1 1214 . 11 1 1 A 96 96 LYS H H 96 8.260 7.448 0.812 1
1 1215 . 11 1 1 A 96 96 LYS N N 96 123.570 117.166 6.404 1
1 1216 . 11 1 1 A 97 97 PRO HA H 97 4.530 4.575 -0.045 1
1 1219 . 11 1 1 A 97 97 PRO C C 97 176.830 177.243 -0.413 1
1 1220 . 11 1 1 A 97 97 PRO CA C 97 63.180 62.648 0.532 1
1 1221 . 11 1 1 A 97 97 PRO CB C 97 32.050 32.099 -0.049 1
1 88 . 12 1 1 A 9 9 PRO HA H 9 4.410 4.260 0.150 1
1 95 . 12 1 1 A 9 9 PRO C C 9 176.460 176.750 -0.290 1
1 96 . 12 1 1 A 9 9 PRO CA C 9 63.030 62.226 0.804 1
1 97 . 12 1 1 A 9 9 PRO CB C 9 32.210 31.800 0.410 1
1 100 . 12 1 1 A 10 10 LEU H H 10 9.190 8.945 0.245 1
1 101 . 12 1 1 A 10 10 LEU HA H 10 4.640 4.625 0.015 1
1 111 . 12 1 1 A 10 10 LEU C C 10 176.620 175.842 0.778 1
1 112 . 12 1 1 A 10 10 LEU CA C 10 53.420 53.707 -0.287 1
1 113 . 12 1 1 A 10 10 LEU CB C 10 44.290 42.650 1.640 1
1 117 . 12 1 1 A 10 10 LEU N N 10 123.060 122.146 0.914 1
1 118 . 12 1 1 A 11 11 GLU H H 11 8.720 8.390 0.330 1
1 119 . 12 1 1 A 11 11 GLU HA H 11 4.490 5.150 -0.660 1
1 124 . 12 1 1 A 11 11 GLU C C 11 176.620 175.387 1.233 1
1 125 . 12 1 1 A 11 11 GLU CA C 11 57.060 54.777 2.283 1
1 126 . 12 1 1 A 11 11 GLU CB C 11 30.820 33.134 -2.314 1
1 128 . 12 1 1 A 11 11 GLU N N 11 121.330 118.722 2.608 1
1 129 . 12 1 1 A 12 12 ALA H H 12 8.760 8.567 0.193 1
1 130 . 12 1 1 A 12 12 ALA HA H 12 5.390 5.378 0.012 1
1 134 . 12 1 1 A 12 12 ALA C C 12 176.040 174.999 1.041 1
1 135 . 12 1 1 A 12 12 ALA CA C 12 50.350 51.278 -0.928 1
1 136 . 12 1 1 A 12 12 ALA CB C 12 24.490 23.448 1.042 1
1 137 . 12 1 1 A 12 12 ALA N N 12 127.010 123.290 3.720 1
1 138 . 12 1 1 A 13 13 GLU H H 13 8.850 9.516 -0.666 1
1 139 . 12 1 1 A 13 13 GLU HA H 13 5.240 5.472 -0.232 1
1 144 . 12 1 1 A 13 13 GLU C C 13 175.320 175.067 0.253 1
1 145 . 12 1 1 A 13 13 GLU CA C 13 55.580 54.949 0.631 1
1 146 . 12 1 1 A 13 13 GLU CB C 13 34.410 32.606 1.804 1
1 148 . 12 1 1 A 13 13 GLU N N 13 119.980 121.856 -1.876 1
1 149 . 12 1 1 A 14 14 ILE H H 14 8.420 9.124 -0.704 1
1 150 . 12 1 1 A 14 14 ILE HA H 14 4.210 4.591 -0.381 1
1 160 . 12 1 1 A 14 14 ILE C C 14 174.520 175.853 -1.333 1
1 161 . 12 1 1 A 14 14 ILE CA C 14 61.000 59.841 1.159 1
1 162 . 12 1 1 A 14 14 ILE CB C 14 40.430 39.098 1.332 1
1 166 . 12 1 1 A 14 14 ILE N N 14 123.990 127.464 -3.474 1
1 167 . 12 1 1 A 15 15 LYS H H 15 9.590 9.111 0.479 1
1 168 . 12 1 1 A 15 15 LYS HA H 15 3.880 4.043 -0.163 1
1 177 . 12 1 1 A 15 15 LYS C C 15 176.880 176.674 0.206 1
1 178 . 12 1 1 A 15 15 LYS CA C 15 57.890 57.523 0.367 1
1 179 . 12 1 1 A 15 15 LYS CB C 15 30.550 30.281 0.269 1
1 183 . 12 1 1 A 15 15 LYS N N 15 124.930 128.519 -3.589 1
1 184 . 12 1 1 A 16 16 GLY H H 16 8.730 8.540 0.190 1
1 185 . 12 1 1 A 16 16 GLY HA2 H 16 3.670 3.847 -0.177 1
1 186 . 12 1 1 A 16 16 GLY HA3 H 16 4.230 3.856 0.374 1
1 187 . 12 1 1 A 16 16 GLY C C 16 174.360 173.892 0.468 1
1 188 . 12 1 1 A 16 16 GLY CA C 16 45.540 45.349 0.191 1
1 189 . 12 1 1 A 16 16 GLY N N 16 104.580 105.760 -1.180 1
1 190 . 12 1 1 A 17 17 THR H H 17 8.400 8.430 -0.030 1
1 191 . 12 1 1 A 17 17 THR HA H 17 4.490 4.450 0.040 1
1 196 . 12 1 1 A 17 17 THR C C 17 172.970 173.449 -0.479 1
1 197 . 12 1 1 A 17 17 THR CA C 17 62.580 62.554 0.026 1
1 198 . 12 1 1 A 17 17 THR CB C 17 70.320 69.950 0.370 1
1 200 . 12 1 1 A 17 17 THR N N 17 120.070 117.618 2.452 1
1 201 . 12 1 1 A 18 18 LYS H H 18 8.750 8.692 0.058 1
1 202 . 12 1 1 A 18 18 LYS HA H 18 4.920 4.937 -0.017 1
1 211 . 12 1 1 A 18 18 LYS C C 18 175.860 175.300 0.560 1
1 212 . 12 1 1 A 18 18 LYS CA C 18 56.350 56.328 0.022 1
1 213 . 12 1 1 A 18 18 LYS CB C 18 32.940 33.026 -0.086 1
1 217 . 12 1 1 A 18 18 LYS N N 18 127.270 128.294 -1.024 1
1 218 . 12 1 1 A 19 19 LEU H H 19 8.750 9.365 -0.615 1
1 219 . 12 1 1 A 19 19 LEU HA H 19 4.850 5.106 -0.256 1
1 229 . 12 1 1 A 19 19 LEU C C 19 174.210 175.690 -1.480 1
1 230 . 12 1 1 A 19 19 LEU CA C 19 55.160 53.449 1.711 1
1 231 . 12 1 1 A 19 19 LEU CB C 19 43.340 45.929 -2.589 1
1 235 . 12 1 1 A 19 19 LEU N N 19 123.470 127.369 -3.899 1
1 236 . 12 1 1 A 20 20 LYS H H 20 8.660 8.451 0.209 1
1 237 . 12 1 1 A 20 20 LYS HA H 20 5.180 4.744 0.436 1
1 246 . 12 1 1 A 20 20 LYS C C 20 175.650 176.076 -0.426 1
1 247 . 12 1 1 A 20 20 LYS CA C 20 54.630 55.732 -1.102 1
1 248 . 12 1 1 A 20 20 LYS CB C 20 34.710 33.555 1.155 1
1 252 . 12 1 1 A 20 20 LYS N N 20 118.320 120.766 -2.446 1
1 253 . 12 1 1 A 21 21 ALA H H 21 8.860 8.569 0.291 1
1 254 . 12 1 1 A 21 21 ALA HA H 21 5.470 5.646 -0.176 1
1 258 . 12 1 1 A 21 21 ALA C C 21 174.740 175.647 -0.907 1
1 259 . 12 1 1 A 21 21 ALA CA C 21 49.510 50.253 -0.743 1
1 260 . 12 1 1 A 21 21 ALA CB C 21 22.990 23.961 -0.971 1
1 261 . 12 1 1 A 21 21 ALA N N 21 120.460 124.405 -3.945 1
1 262 . 12 1 1 A 22 22 HIS H H 22 9.140 9.389 -0.249 1
1 263 . 12 1 1 A 22 22 HIS HA H 22 5.070 5.223 -0.153 1
1 268 . 12 1 1 A 22 22 HIS C C 22 174.310 174.090 0.220 1
1 269 . 12 1 1 A 22 22 HIS CA C 22 54.040 53.983 0.057 1
1 270 . 12 1 1 A 22 22 HIS CB C 22 32.390 32.865 -0.475 1
1 272 . 12 1 1 A 22 22 HIS N N 22 119.890 115.335 4.555 1
1 273 . 12 1 1 A 23 23 TRP H H 23 9.160 9.097 0.063 1
1 274 . 12 1 1 A 23 23 TRP HA H 23 4.360 4.778 -0.418 1
1 283 . 12 1 1 A 23 23 TRP C C 23 175.070 175.043 0.027 1
1 284 . 12 1 1 A 23 23 TRP CA C 23 59.160 57.187 1.973 1
1 285 . 12 1 1 A 23 23 TRP CB C 23 30.710 29.980 0.730 1
1 291 . 12 1 1 A 23 23 TRP N N 23 126.610 126.872 -0.262 1
1 293 . 12 1 1 A 24 24 ASP H H 24 7.720 7.999 -0.279 1
1 294 . 12 1 1 A 24 24 ASP HA H 24 4.880 4.791 0.089 1
1 297 . 12 1 1 A 24 24 ASP C C 24 175.340 175.458 -0.118 1
1 298 . 12 1 1 A 24 24 ASP CA C 24 53.030 52.375 0.655 1
1 299 . 12 1 1 A 24 24 ASP CB C 24 43.510 42.065 1.445 1
1 300 . 12 1 1 A 24 24 ASP N N 24 126.750 128.483 -1.733 1
1 301 . 12 1 1 A 25 25 SER H H 25 8.490 8.371 0.119 1
1 302 . 12 1 1 A 25 25 SER HA H 25 3.580 3.492 0.088 1
1 305 . 12 1 1 A 25 25 SER C C 25 175.340 176.635 -1.295 1
1 306 . 12 1 1 A 25 25 SER CA C 25 60.640 60.867 -0.227 1
1 307 . 12 1 1 A 25 25 SER CB C 25 62.990 62.422 0.568 1
1 308 . 12 1 1 A 25 25 SER N N 25 119.220 119.564 -0.344 1
1 309 . 12 1 1 A 26 26 GLY H H 26 8.670 8.066 0.604 1
1 310 . 12 1 1 A 26 26 GLY HA2 H 26 3.630 3.879 -0.249 1
1 311 . 12 1 1 A 26 26 GLY HA3 H 26 4.200 3.883 0.317 1
1 312 . 12 1 1 A 26 26 GLY C C 26 174.190 174.698 -0.508 1
1 313 . 12 1 1 A 26 26 GLY CA C 26 44.760 46.652 -1.892 1
1 314 . 12 1 1 A 26 26 GLY N N 26 109.290 109.130 0.160 1
1 315 . 12 1 1 A 27 27 ALA H H 27 7.550 7.445 0.105 1
1 316 . 12 1 1 A 27 27 ALA HA H 27 4.370 4.295 0.075 1
1 320 . 12 1 1 A 27 27 ALA C C 27 178.430 178.238 0.192 1
1 321 . 12 1 1 A 27 27 ALA CA C 27 52.240 52.243 -0.003 1
1 322 . 12 1 1 A 27 27 ALA CB C 27 18.240 19.319 -1.079 1
1 323 . 12 1 1 A 27 27 ALA N N 27 124.840 123.262 1.578 1
1 324 . 12 1 1 A 28 28 THR H H 28 8.260 8.818 -0.558 1
1 325 . 12 1 1 A 28 28 THR HA H 28 4.230 4.465 -0.235 1
1 330 . 12 1 1 A 28 28 THR C C 28 173.830 174.428 -0.598 1
1 331 . 12 1 1 A 28 28 THR CA C 28 62.180 61.804 0.376 1
1 332 . 12 1 1 A 28 28 THR CB C 28 69.240 69.574 -0.334 1
1 333 . 12 1 1 A 28 28 THR N N 28 112.480 112.201 0.279 1
1 334 . 12 1 1 A 29 29 ILE H H 29 7.460 7.482 -0.022 1
1 335 . 12 1 1 A 29 29 ILE HA H 29 4.540 4.699 -0.159 1
1 345 . 12 1 1 A 29 29 ILE C C 29 173.440 174.447 -1.007 1
1 346 . 12 1 1 A 29 29 ILE CA C 29 60.540 59.595 0.945 1
1 347 . 12 1 1 A 29 29 ILE CB C 29 40.780 41.906 -1.126 1
1 351 . 12 1 1 A 29 29 ILE N N 29 118.820 121.890 -3.070 1
1 352 . 12 1 1 A 30 30 THR H H 30 9.380 8.643 0.737 1
1 353 . 12 1 1 A 30 30 THR HA H 30 4.870 4.230 0.640 1
1 358 . 12 1 1 A 30 30 THR C C 30 173.600 174.412 -0.812 1
1 359 . 12 1 1 A 30 30 THR CA C 30 64.280 63.561 0.719 1
1 360 . 12 1 1 A 30 30 THR CB C 30 69.840 69.527 0.313 1
1 361 . 12 1 1 A 30 30 THR N N 30 129.290 122.044 7.246 1
1 362 . 12 1 1 A 31 31 CYS H H 31 9.180 8.737 0.443 1
1 363 . 12 1 1 A 31 31 CYS HA H 31 5.530 5.284 0.246 1
1 366 . 12 1 1 A 31 31 CYS C C 31 174.420 173.709 0.711 1
1 367 . 12 1 1 A 31 31 CYS CA C 31 56.540 57.031 -0.491 1
1 368 . 12 1 1 A 31 31 CYS CB C 31 30.780 30.322 0.458 1
1 369 . 12 1 1 A 31 31 CYS N N 31 122.220 123.354 -1.134 1
1 370 . 12 1 1 A 32 32 VAL H H 32 9.090 8.869 0.221 1
1 371 . 12 1 1 A 32 32 VAL HA H 32 4.710 4.838 -0.128 1
1 379 . 12 1 1 A 32 32 VAL CA C 32 57.300 57.811 -0.511 1
1 380 . 12 1 1 A 32 32 VAL CB C 32 32.860 33.837 -0.977 1
1 383 . 12 1 1 A 32 32 VAL N N 32 117.890 118.281 -0.391 1
1 384 . 12 1 1 A 33 33 PRO HA H 33 4.530 5.207 -0.677 1
1 391 . 12 1 1 A 33 33 PRO C C 33 178.110 177.764 0.346 1
1 392 . 12 1 1 A 33 33 PRO CA C 33 64.140 62.531 1.609 1
1 393 . 12 1 1 A 33 33 PRO CB C 33 32.200 32.124 0.076 1
1 396 . 12 1 1 A 34 34 GLU H H 34 8.380 8.688 -0.308 1
1 397 . 12 1 1 A 34 34 GLU HA H 34 3.730 3.928 -0.198 1
1 402 . 12 1 1 A 34 34 GLU C C 34 177.830 178.157 -0.327 1
1 403 . 12 1 1 A 34 34 GLU CA C 34 59.480 59.475 0.005 1
1 404 . 12 1 1 A 34 34 GLU CB C 34 29.860 29.167 0.693 1
1 406 . 12 1 1 A 34 34 GLU N N 34 122.200 124.556 -2.356 1
1 407 . 12 1 1 A 35 35 ALA H H 35 9.050 8.061 0.989 1
1 408 . 12 1 1 A 35 35 ALA HA H 35 4.030 4.030 0.000 1
1 412 . 12 1 1 A 35 35 ALA C C 35 180.250 179.059 1.191 1
1 413 . 12 1 1 A 35 35 ALA CA C 35 54.850 54.841 0.009 1
1 414 . 12 1 1 A 35 35 ALA CB C 35 18.160 18.591 -0.431 1
1 415 . 12 1 1 A 35 35 ALA N N 35 123.090 121.886 1.204 1
1 416 . 12 1 1 A 36 36 PHE H H 36 7.510 7.896 -0.386 1
1 417 . 12 1 1 A 36 36 PHE HA H 36 4.370 4.398 -0.028 1
1 425 . 12 1 1 A 36 36 PHE C C 36 174.870 176.924 -2.054 1
1 426 . 12 1 1 A 36 36 PHE CA C 36 60.160 59.733 0.427 1
1 427 . 12 1 1 A 36 36 PHE CB C 36 38.930 38.791 0.139 1
1 433 . 12 1 1 A 36 36 PHE N N 36 112.030 115.154 -3.124 1
1 434 . 12 1 1 A 37 37 LEU H H 37 7.640 8.186 -0.546 1
1 435 . 12 1 1 A 37 37 LEU HA H 37 4.230 4.410 -0.180 1
1 445 . 12 1 1 A 37 37 LEU C C 37 177.380 177.327 0.053 1
1 446 . 12 1 1 A 37 37 LEU CA C 37 53.080 54.493 -1.413 1
1 447 . 12 1 1 A 37 37 LEU CB C 37 41.050 41.271 -0.221 1
1 451 . 12 1 1 A 37 37 LEU N N 37 116.800 119.217 -2.417 1
1 452 . 12 1 1 A 38 38 GLU H H 38 7.050 7.963 -0.913 1
1 453 . 12 1 1 A 38 38 GLU HA H 38 3.980 4.029 -0.049 1
1 458 . 12 1 1 A 38 38 GLU C C 38 176.630 177.825 -1.195 1
1 459 . 12 1 1 A 38 38 GLU CA C 38 59.250 59.718 -0.468 1
1 460 . 12 1 1 A 38 38 GLU CB C 38 29.870 29.458 0.412 1
1 462 . 12 1 1 A 38 38 GLU N N 38 121.260 120.701 0.559 1
1 463 . 12 1 1 A 39 39 ASP H H 39 8.690 8.347 0.343 1
1 464 . 12 1 1 A 39 39 ASP HA H 39 4.700 4.700 0.000 1
1 467 . 12 1 1 A 39 39 ASP C C 39 175.570 176.225 -0.655 1
1 468 . 12 1 1 A 39 39 ASP CA C 39 53.760 53.018 0.742 1
1 469 . 12 1 1 A 39 39 ASP CB C 39 40.010 39.892 0.118 1
1 470 . 12 1 1 A 39 39 ASP N N 39 115.590 115.649 -0.059 1
1 471 . 12 1 1 A 40 40 GLU H H 40 7.460 8.266 -0.806 1
1 472 . 12 1 1 A 40 40 GLU HA H 40 4.720 4.419 0.301 1
1 477 . 12 1 1 A 40 40 GLU C C 40 175.660 176.125 -0.465 1
1 478 . 12 1 1 A 40 40 GLU CA C 40 54.240 56.951 -2.711 1
1 479 . 12 1 1 A 40 40 GLU CB C 40 31.240 29.917 1.323 1
1 481 . 12 1 1 A 40 40 GLU N N 40 118.210 119.109 -0.899 1
1 482 . 12 1 1 A 41 41 ARG H H 41 9.130 9.009 0.121 1
1 483 . 12 1 1 A 41 41 ARG HA H 41 5.080 5.060 0.020 1
1 490 . 12 1 1 A 41 41 ARG CA C 41 52.540 53.058 -0.518 1
1 491 . 12 1 1 A 41 41 ARG CB C 41 31.240 31.945 -0.705 1
1 494 . 12 1 1 A 41 41 ARG N N 41 121.830 125.387 -3.557 1
1 495 . 12 1 1 A 42 42 PRO HA H 42 3.840 4.354 -0.514 1
1 502 . 12 1 1 A 42 42 PRO C C 42 177.180 176.588 0.592 1
1 503 . 12 1 1 A 42 42 PRO CA C 42 63.010 62.148 0.862 1
1 504 . 12 1 1 A 42 42 PRO CB C 42 32.490 31.465 1.025 1
1 507 . 12 1 1 A 43 43 ILE H H 43 9.110 8.221 0.889 1
1 508 . 12 1 1 A 43 43 ILE HA H 43 4.410 4.342 0.068 1
1 518 . 12 1 1 A 43 43 ILE C C 43 176.220 175.829 0.391 1
1 519 . 12 1 1 A 43 43 ILE CA C 43 61.480 60.784 0.696 1
1 520 . 12 1 1 A 43 43 ILE CB C 43 39.510 39.344 0.166 1
1 524 . 12 1 1 A 43 43 ILE N N 43 115.610 116.516 -0.906 1
1 525 . 12 1 1 A 44 44 GLN H H 44 7.750 7.159 0.591 1
1 526 . 12 1 1 A 44 44 GLN HA H 44 4.610 4.740 -0.130 1
1 533 . 12 1 1 A 44 44 GLN C C 44 173.610 173.999 -0.389 1
1 534 . 12 1 1 A 44 44 GLN CA C 44 55.140 54.686 0.454 1
1 535 . 12 1 1 A 44 44 GLN CB C 44 31.460 32.089 -0.629 1
1 537 . 12 1 1 A 44 44 GLN N N 44 118.360 120.987 -2.627 1
1 539 . 12 1 1 A 45 45 THR H H 45 8.560 8.887 -0.327 1
1 540 . 12 1 1 A 45 45 THR HA H 45 5.140 5.226 -0.086 1
1 545 . 12 1 1 A 45 45 THR C C 45 177.830 173.207 4.623 1
1 546 . 12 1 1 A 45 45 THR CA C 45 61.450 59.978 1.472 1
1 547 . 12 1 1 A 45 45 THR CB C 45 71.380 71.796 -0.416 1
1 549 . 12 1 1 A 45 45 THR N N 45 115.470 113.192 2.278 1
1 550 . 12 1 1 A 46 46 MET H H 46 9.100 8.911 0.189 1
1 551 . 12 1 1 A 46 46 MET HA H 46 4.730 4.945 -0.215 1
1 556 . 12 1 1 A 46 46 MET C C 46 173.520 173.668 -0.148 1
1 557 . 12 1 1 A 46 46 MET CA C 46 54.560 54.613 -0.053 1
1 558 . 12 1 1 A 46 46 MET CB C 46 36.500 36.257 0.243 1
1 560 . 12 1 1 A 46 46 MET N N 46 123.160 122.245 0.915 1
1 561 . 12 1 1 A 47 47 LEU H H 47 8.490 8.803 -0.313 1
1 562 . 12 1 1 A 47 47 LEU HA H 47 4.730 5.040 -0.310 1
1 572 . 12 1 1 A 47 47 LEU C C 47 176.210 174.675 1.535 1
1 573 . 12 1 1 A 47 47 LEU CA C 47 54.440 53.621 0.819 1
1 574 . 12 1 1 A 47 47 LEU CB C 47 42.540 44.625 -2.085 1
1 578 . 12 1 1 A 47 47 LEU N N 47 124.300 126.076 -1.776 1
1 579 . 12 1 1 A 48 48 ILE H H 48 8.990 9.240 -0.250 1
1 580 . 12 1 1 A 48 48 ILE HA H 48 4.430 4.911 -0.481 1
1 590 . 12 1 1 A 48 48 ILE C C 48 175.040 174.320 0.720 1
1 591 . 12 1 1 A 48 48 ILE CA C 48 59.150 59.992 -0.842 1
1 592 . 12 1 1 A 48 48 ILE CB C 48 39.910 40.812 -0.902 1
1 596 . 12 1 1 A 48 48 ILE N N 48 125.760 127.671 -1.911 1
1 597 . 12 1 1 A 49 49 LYS H H 49 8.710 8.995 -0.285 1
1 598 . 12 1 1 A 49 49 LYS HA H 49 4.550 5.262 -0.712 1
1 607 . 12 1 1 A 49 49 LYS C C 49 176.060 175.063 0.997 1
1 608 . 12 1 1 A 49 49 LYS CA C 49 56.570 54.695 1.875 1
1 609 . 12 1 1 A 49 49 LYS CB C 49 33.010 35.490 -2.480 1
1 613 . 12 1 1 A 49 49 LYS N N 49 126.480 128.256 -1.776 1
1 614 . 12 1 1 A 50 50 THR H H 50 8.150 8.840 -0.690 1
1 615 . 12 1 1 A 50 50 THR HA H 50 4.860 4.955 -0.095 1
1 620 . 12 1 1 A 50 50 THR CA C 50 60.030 59.767 0.263 1
1 621 . 12 1 1 A 50 50 THR CB C 50 72.820 72.001 0.819 1
1 623 . 12 1 1 A 50 50 THR N N 50 116.220 117.160 -0.940 1
1 624 . 12 1 1 A 51 51 ILE HA H 51 4.400 3.754 0.646 1
1 634 . 12 1 1 A 51 51 ILE C C 51 176.140 178.272 -2.132 1
1 635 . 12 1 1 A 51 51 ILE CA C 51 63.450 65.217 -1.767 1
1 636 . 12 1 1 A 51 51 ILE CB C 51 37.970 37.881 0.089 1
1 640 . 12 1 1 A 52 52 HIS H H 52 7.820 8.137 -0.317 1
1 641 . 12 1 1 A 52 52 HIS HA H 52 4.830 4.188 0.642 1
1 644 . 12 1 1 A 52 52 HIS C C 52 175.190 175.283 -0.093 1
1 645 . 12 1 1 A 52 52 HIS CA C 52 55.670 59.328 -3.658 1
1 646 . 12 1 1 A 52 52 HIS CB C 52 31.260 30.090 1.170 1
1 647 . 12 1 1 A 52 52 HIS N N 52 118.280 119.339 -1.059 1
1 648 . 12 1 1 A 53 53 GLY H H 53 7.590 7.381 0.209 1
1 649 . 12 1 1 A 53 53 GLY HA2 H 53 3.880 3.910 -0.030 1
1 650 . 12 1 1 A 53 53 GLY HA3 H 53 4.510 3.921 0.589 1
1 651 . 12 1 1 A 53 53 GLY C C 53 173.360 171.418 1.942 1
1 652 . 12 1 1 A 53 53 GLY CA C 53 44.510 45.745 -1.235 1
1 653 . 12 1 1 A 53 53 GLY N N 53 108.490 105.500 2.990 1
1 654 . 12 1 1 A 54 54 GLU H H 54 8.710 8.511 0.199 1
1 655 . 12 1 1 A 54 54 GLU HA H 54 5.050 5.018 0.032 1
1 660 . 12 1 1 A 54 54 GLU C C 54 175.890 175.178 0.712 1
1 661 . 12 1 1 A 54 54 GLU CA C 54 55.980 55.258 0.722 1
1 662 . 12 1 1 A 54 54 GLU CB C 54 31.610 32.108 -0.498 1
1 664 . 12 1 1 A 54 54 GLU N N 54 121.850 120.903 0.947 1
1 665 . 12 1 1 A 55 55 LYS H H 55 8.930 9.173 -0.243 1
1 666 . 12 1 1 A 55 55 LYS HA H 55 4.670 5.131 -0.461 1
1 675 . 12 1 1 A 55 55 LYS C C 55 174.630 174.404 0.226 1
1 676 . 12 1 1 A 55 55 LYS CA C 55 54.750 54.854 -0.104 1
1 677 . 12 1 1 A 55 55 LYS CB C 55 35.910 36.297 -0.387 1
1 681 . 12 1 1 A 55 55 LYS N N 55 123.380 125.582 -2.202 1
1 682 . 12 1 1 A 56 56 GLN H H 56 8.670 8.940 -0.270 1
1 683 . 12 1 1 A 56 56 GLN HA H 56 4.820 5.124 -0.304 1
1 688 . 12 1 1 A 56 56 GLN C C 56 175.780 174.650 1.130 1
1 689 . 12 1 1 A 56 56 GLN CA C 56 55.500 54.257 1.243 1
1 690 . 12 1 1 A 56 56 GLN CB C 56 29.470 32.038 -2.568 1
1 692 . 12 1 1 A 56 56 GLN N N 56 122.950 123.913 -0.963 1
1 693 . 12 1 1 A 57 57 GLN H H 57 9.210 8.699 0.511 1
1 694 . 12 1 1 A 57 57 GLN HA H 57 4.740 4.985 -0.245 1
1 701 . 12 1 1 A 57 57 GLN C C 57 174.100 174.306 -0.206 1
1 702 . 12 1 1 A 57 57 GLN CA C 57 54.760 54.595 0.165 1
1 703 . 12 1 1 A 57 57 GLN CB C 57 32.670 32.527 0.143 1
1 705 . 12 1 1 A 57 57 GLN N N 57 125.030 125.490 -0.460 1
1 707 . 12 1 1 A 58 58 ASP H H 58 8.570 8.806 -0.236 1
1 708 . 12 1 1 A 58 58 ASP HA H 58 4.860 5.181 -0.321 1
1 711 . 12 1 1 A 58 58 ASP C C 58 173.690 175.739 -2.049 1
1 712 . 12 1 1 A 58 58 ASP CA C 58 55.090 53.546 1.544 1
1 713 . 12 1 1 A 58 58 ASP CB C 58 42.120 42.684 -0.564 1
1 714 . 12 1 1 A 58 58 ASP N N 58 124.680 120.651 4.029 1
1 715 . 12 1 1 A 59 59 VAL H H 59 8.480 9.154 -0.674 1
1 716 . 12 1 1 A 59 59 VAL HA H 59 4.610 4.823 -0.213 1
1 724 . 12 1 1 A 59 59 VAL C C 59 174.600 174.616 -0.016 1
1 725 . 12 1 1 A 59 59 VAL CA C 59 61.130 61.512 -0.382 1
1 726 . 12 1 1 A 59 59 VAL CB C 59 34.250 33.273 0.977 1
1 729 . 12 1 1 A 59 59 VAL N N 59 121.270 120.780 0.490 1
1 730 . 12 1 1 A 60 60 TYR H H 60 9.390 9.365 0.025 1
1 731 . 12 1 1 A 60 60 TYR HA H 60 4.800 5.113 -0.313 1
1 738 . 12 1 1 A 60 60 TYR C C 60 173.840 174.192 -0.352 1
1 739 . 12 1 1 A 60 60 TYR CA C 60 56.840 56.514 0.326 1
1 740 . 12 1 1 A 60 60 TYR CB C 60 41.190 42.321 -1.131 1
1 745 . 12 1 1 A 60 60 TYR N N 60 125.760 126.775 -1.015 1
1 746 . 12 1 1 A 61 61 TYR H H 61 9.300 8.561 0.739 1
1 747 . 12 1 1 A 61 61 TYR HA H 61 5.370 5.362 0.008 1
1 754 . 12 1 1 A 61 61 TYR C C 61 174.300 174.174 0.126 1
1 755 . 12 1 1 A 61 61 TYR CA C 61 57.490 56.909 0.581 1
1 756 . 12 1 1 A 61 61 TYR CB C 61 40.900 40.762 0.138 1
1 761 . 12 1 1 A 61 61 TYR N N 61 122.890 124.074 -1.184 1
1 762 . 12 1 1 A 62 62 LEU H H 62 8.770 8.794 -0.024 1
1 763 . 12 1 1 A 62 62 LEU HA H 62 4.780 5.119 -0.339 1
1 773 . 12 1 1 A 62 62 LEU C C 62 174.070 175.962 -1.892 1
1 774 . 12 1 1 A 62 62 LEU CA C 62 53.760 53.313 0.447 1
1 775 . 12 1 1 A 62 62 LEU CB C 62 49.020 45.701 3.319 1
1 779 . 12 1 1 A 62 62 LEU N N 62 129.700 128.900 0.800 1
1 780 . 12 1 1 A 63 63 THR H H 63 7.960 8.789 -0.829 1
1 781 . 12 1 1 A 63 63 THR HA H 63 5.410 5.043 0.367 1
1 786 . 12 1 1 A 63 63 THR C C 63 173.860 174.056 -0.196 1
1 787 . 12 1 1 A 63 63 THR CA C 63 60.850 61.155 -0.305 1
1 788 . 12 1 1 A 63 63 THR CB C 63 69.790 70.636 -0.846 1
1 790 . 12 1 1 A 63 63 THR N N 63 118.460 115.959 2.501 1
1 791 . 12 1 1 A 64 64 PHE H H 64 9.270 8.343 0.927 1
1 792 . 12 1 1 A 64 64 PHE HA H 64 5.100 5.603 -0.503 1
1 800 . 12 1 1 A 64 64 PHE C C 64 172.280 172.358 -0.078 1
1 801 . 12 1 1 A 64 64 PHE CA C 64 56.020 55.297 0.723 1
1 802 . 12 1 1 A 64 64 PHE CB C 64 38.350 42.007 -3.657 1
1 808 . 12 1 1 A 64 64 PHE N N 64 123.960 122.792 1.168 1
1 809 . 12 1 1 A 65 65 LYS H H 65 8.750 8.965 -0.215 1
1 810 . 12 1 1 A 65 65 LYS HA H 65 5.500 4.915 0.585 1
1 819 . 12 1 1 A 65 65 LYS C C 65 176.300 175.574 0.726 1
1 820 . 12 1 1 A 65 65 LYS CA C 65 54.900 55.713 -0.813 1
1 821 . 12 1 1 A 65 65 LYS CB C 65 37.730 33.931 3.799 1
1 825 . 12 1 1 A 65 65 LYS N N 65 117.930 119.835 -1.905 1
1 826 . 12 1 1 A 66 66 VAL H H 66 8.840 9.131 -0.291 1
1 827 . 12 1 1 A 66 66 VAL HA H 66 4.520 4.601 -0.081 1
1 835 . 12 1 1 A 66 66 VAL C C 66 175.550 176.009 -0.459 1
1 836 . 12 1 1 A 66 66 VAL CA C 66 62.130 61.308 0.822 1
1 837 . 12 1 1 A 66 66 VAL CB C 66 35.100 32.980 2.120 1
1 840 . 12 1 1 A 66 66 VAL N N 66 119.330 125.020 -5.690 1
1 841 . 12 1 1 A 67 67 GLN H H 67 9.690 9.409 0.281 1
1 842 . 12 1 1 A 67 67 GLN HA H 67 4.050 4.077 -0.027 1
1 849 . 12 1 1 A 67 67 GLN C C 67 176.300 176.248 0.052 1
1 850 . 12 1 1 A 67 67 GLN CA C 67 56.720 57.211 -0.491 1
1 851 . 12 1 1 A 67 67 GLN CB C 67 28.230 26.924 1.306 1
1 853 . 12 1 1 A 67 67 GLN N N 67 125.930 128.911 -2.981 1
1 855 . 12 1 1 A 68 68 GLY H H 68 8.980 8.709 0.271 1
1 856 . 12 1 1 A 68 68 GLY HA2 H 68 3.510 3.832 -0.322 1
1 857 . 12 1 1 A 68 68 GLY HA3 H 68 4.140 3.840 0.300 1
1 858 . 12 1 1 A 68 68 GLY C C 68 173.410 173.781 -0.371 1
1 859 . 12 1 1 A 68 68 GLY CA C 68 45.460 45.641 -0.181 1
1 860 . 12 1 1 A 68 68 GLY N N 68 103.510 104.203 -0.693 1
1 861 . 12 1 1 A 69 69 ARG H H 69 8.070 7.833 0.237 1
1 862 . 12 1 1 A 69 69 ARG HA H 69 4.400 4.458 -0.058 1
1 869 . 12 1 1 A 69 69 ARG C C 69 174.880 174.924 -0.044 1
1 870 . 12 1 1 A 69 69 ARG CA C 69 54.730 54.401 0.329 1
1 871 . 12 1 1 A 69 69 ARG CB C 69 31.520 31.665 -0.145 1
1 874 . 12 1 1 A 69 69 ARG N N 69 122.680 120.013 2.667 1
1 875 . 12 1 1 A 70 70 LYS H H 70 8.390 8.670 -0.280 1
1 876 . 12 1 1 A 70 70 LYS HA H 70 4.220 4.268 -0.048 1
1 885 . 12 1 1 A 70 70 LYS C C 70 175.330 174.949 0.381 1
1 886 . 12 1 1 A 70 70 LYS CA C 70 57.860 56.985 0.875 1
1 887 . 12 1 1 A 70 70 LYS CB C 70 32.790 32.912 -0.122 1
1 891 . 12 1 1 A 70 70 LYS N N 70 123.590 127.290 -3.700 1
1 892 . 12 1 1 A 71 71 VAL H H 71 9.050 8.433 0.617 1
1 893 . 12 1 1 A 71 71 VAL HA H 71 4.140 4.539 -0.399 1
1 901 . 12 1 1 A 71 71 VAL C C 71 173.310 174.107 -0.797 1
1 902 . 12 1 1 A 71 71 VAL CA C 71 61.370 60.580 0.790 1
1 903 . 12 1 1 A 71 71 VAL CB C 71 34.610 35.525 -0.915 1
1 906 . 12 1 1 A 71 71 VAL N N 71 128.340 126.943 1.397 1
1 907 . 12 1 1 A 72 72 GLU H H 72 8.150 8.758 -0.608 1
1 908 . 12 1 1 A 72 72 GLU HA H 72 4.970 4.931 0.039 1
1 913 . 12 1 1 A 72 72 GLU C C 72 174.910 175.394 -0.484 1
1 914 . 12 1 1 A 72 72 GLU CA C 72 54.490 54.801 -0.311 1
1 915 . 12 1 1 A 72 72 GLU CB C 72 31.410 32.759 -1.349 1
1 917 . 12 1 1 A 72 72 GLU N N 72 124.430 125.264 -0.834 1
1 918 . 12 1 1 A 73 73 ALA H H 73 8.420 7.945 0.475 1
1 919 . 12 1 1 A 73 73 ALA HA H 73 4.770 4.838 -0.068 1
1 923 . 12 1 1 A 73 73 ALA C C 73 175.140 175.993 -0.853 1
1 924 . 12 1 1 A 73 73 ALA CA C 73 51.050 50.926 0.124 1
1 925 . 12 1 1 A 73 73 ALA CB C 73 23.060 23.024 0.036 1
1 926 . 12 1 1 A 73 73 ALA N N 73 124.790 122.718 2.072 1
1 927 . 12 1 1 A 74 74 GLU H H 74 8.520 8.507 0.013 1
1 928 . 12 1 1 A 74 74 GLU HA H 74 5.260 5.338 -0.078 1
1 933 . 12 1 1 A 74 74 GLU C C 74 176.570 176.671 -0.101 1
1 934 . 12 1 1 A 74 74 GLU CA C 74 55.770 57.096 -1.326 1
1 935 . 12 1 1 A 74 74 GLU CB C 74 29.840 30.271 -0.431 1
1 937 . 12 1 1 A 74 74 GLU N N 74 120.480 118.811 1.669 1
1 938 . 12 1 1 A 75 75 VAL H H 75 9.240 10.008 -0.768 1
1 939 . 12 1 1 A 75 75 VAL HA H 75 5.730 5.404 0.326 1
1 947 . 12 1 1 A 75 75 VAL C C 75 174.700 173.566 1.134 1
1 948 . 12 1 1 A 75 75 VAL CA C 75 57.950 58.945 -0.995 1
1 949 . 12 1 1 A 75 75 VAL CB C 75 36.540 35.877 0.663 1
1 952 . 12 1 1 A 75 75 VAL N N 75 113.070 118.789 -5.719 1
1 953 . 12 1 1 A 76 76 LEU H H 76 8.420 8.566 -0.146 1
1 954 . 12 1 1 A 76 76 LEU HA H 76 5.110 5.211 -0.101 1
1 964 . 12 1 1 A 76 76 LEU C C 76 176.970 175.520 1.450 1
1 965 . 12 1 1 A 76 76 LEU CA C 76 52.370 53.086 -0.716 1
1 966 . 12 1 1 A 76 76 LEU CB C 76 45.230 45.627 -0.397 1
1 970 . 12 1 1 A 76 76 LEU N N 76 117.790 124.679 -6.889 1
1 971 . 12 1 1 A 77 77 ALA H H 77 8.930 8.576 0.354 1
1 972 . 12 1 1 A 77 77 ALA HA H 77 4.500 4.709 -0.209 1
1 976 . 12 1 1 A 77 77 ALA C C 77 177.950 176.679 1.271 1
1 977 . 12 1 1 A 77 77 ALA CA C 77 52.090 52.180 -0.090 1
1 978 . 12 1 1 A 77 77 ALA CB C 77 20.280 19.425 0.855 1
1 979 . 12 1 1 A 77 77 ALA N N 77 122.210 128.807 -6.597 1
1 980 . 12 1 1 A 78 78 SER H H 78 8.380 8.444 -0.064 1
1 981 . 12 1 1 A 78 78 SER HA H 78 5.010 4.875 0.135 1
1 984 . 12 1 1 A 78 78 SER CA C 78 54.230 55.127 -0.897 1
1 985 . 12 1 1 A 78 78 SER CB C 78 66.050 65.998 0.052 1
1 986 . 12 1 1 A 78 78 SER N N 78 117.830 116.384 1.446 1
1 987 . 12 1 1 A 79 79 PRO HA H 79 4.660 4.443 0.217 1
1 994 . 12 1 1 A 79 79 PRO C C 79 176.150 175.961 0.189 1
1 995 . 12 1 1 A 79 79 PRO CA C 79 62.860 63.389 -0.529 1
1 996 . 12 1 1 A 79 79 PRO CB C 79 31.230 31.566 -0.336 1
1 999 . 12 1 1 A 80 80 TYR H H 80 7.380 7.140 0.240 1
1 1000 . 12 1 1 A 80 80 TYR HA H 80 4.710 4.658 0.052 1
1 1007 . 12 1 1 A 80 80 TYR C C 80 175.550 176.034 -0.484 1
1 1008 . 12 1 1 A 80 80 TYR CA C 80 56.150 57.876 -1.726 1
1 1009 . 12 1 1 A 80 80 TYR CB C 80 38.490 39.328 -0.838 1
1 1014 . 12 1 1 A 80 80 TYR N N 80 120.860 120.350 0.510 1
1 1015 . 12 1 1 A 81 81 ASP H H 81 8.290 9.060 -0.770 1
1 1016 . 12 1 1 A 81 81 ASP HA H 81 4.640 4.908 -0.268 1
1 1019 . 12 1 1 A 81 81 ASP C C 81 175.290 175.168 0.122 1
1 1020 . 12 1 1 A 81 81 ASP CA C 81 53.560 53.290 0.270 1
1 1021 . 12 1 1 A 81 81 ASP CB C 81 40.650 41.212 -0.562 1
1 1022 . 12 1 1 A 81 81 ASP N N 81 115.600 119.192 -3.592 1
1 1023 . 12 1 1 A 82 82 TYR H H 82 6.680 7.534 -0.854 1
1 1024 . 12 1 1 A 82 82 TYR HA H 82 5.160 5.010 0.150 1
1 1031 . 12 1 1 A 82 82 TYR C C 82 173.930 173.061 0.869 1
1 1032 . 12 1 1 A 82 82 TYR CA C 82 53.190 55.988 -2.798 1
1 1033 . 12 1 1 A 82 82 TYR CB C 82 40.820 41.451 -0.631 1
1 1038 . 12 1 1 A 82 82 TYR N N 82 116.100 116.632 -0.532 1
1 1039 . 12 1 1 A 83 83 ILE H H 83 8.900 8.348 0.552 1
1 1040 . 12 1 1 A 83 83 ILE HA H 83 4.480 4.633 -0.153 1
1 1050 . 12 1 1 A 83 83 ILE C C 83 175.160 174.871 0.289 1
1 1051 . 12 1 1 A 83 83 ILE CA C 83 60.940 59.412 1.528 1
1 1052 . 12 1 1 A 83 83 ILE CB C 83 40.980 41.969 -0.989 1
1 1056 . 12 1 1 A 83 83 ILE N N 83 119.050 119.198 -0.148 1
1 1057 . 12 1 1 A 84 84 LEU H H 84 8.740 9.466 -0.726 1
1 1058 . 12 1 1 A 84 84 LEU HA H 84 5.140 5.394 -0.254 1
1 1068 . 12 1 1 A 84 84 LEU C C 84 174.920 175.244 -0.324 1
1 1069 . 12 1 1 A 84 84 LEU CA C 84 53.800 53.438 0.362 1
1 1070 . 12 1 1 A 84 84 LEU CB C 84 44.100 43.373 0.727 1
1 1074 . 12 1 1 A 84 84 LEU N N 84 130.660 126.733 3.927 1
1 1075 . 12 1 1 A 85 85 LEU H H 85 9.010 9.136 -0.126 1
1 1076 . 12 1 1 A 85 85 LEU HA H 85 4.470 4.878 -0.408 1
1 1086 . 12 1 1 A 85 85 LEU C C 85 174.660 175.814 -1.154 1
1 1087 . 12 1 1 A 85 85 LEU CA C 85 54.080 53.630 0.450 1
1 1088 . 12 1 1 A 85 85 LEU CB C 85 44.350 44.150 0.200 1
1 1092 . 12 1 1 A 85 85 LEU N N 85 125.210 125.264 -0.054 1
1 1093 . 12 1 1 A 86 86 ASN H H 86 8.370 8.762 -0.392 1
1 1094 . 12 1 1 A 86 86 ASN HA H 86 4.680 4.858 -0.178 1
1 1099 . 12 1 1 A 86 86 ASN CA C 86 49.780 50.597 -0.817 1
1 1100 . 12 1 1 A 86 86 ASN CB C 86 38.890 40.120 -1.230 1
1 1101 . 12 1 1 A 86 86 ASN N N 86 122.970 122.584 0.386 1
1 1103 . 12 1 1 A 87 87 PRO HA H 87 3.600 4.639 -1.039 1
1 1110 . 12 1 1 A 87 87 PRO C C 87 178.740 178.253 0.487 1
1 1111 . 12 1 1 A 87 87 PRO CA C 87 65.050 64.571 0.479 1
1 1112 . 12 1 1 A 87 87 PRO CB C 87 33.160 32.030 1.130 1
1 1115 . 12 1 1 A 88 88 SER H H 88 7.580 8.309 -0.729 1
1 1116 . 12 1 1 A 88 88 SER HA H 88 4.100 4.274 -0.174 1
1 1119 . 12 1 1 A 88 88 SER C C 88 175.480 175.738 -0.258 1
1 1120 . 12 1 1 A 88 88 SER CA C 88 60.730 61.087 -0.357 1
1 1121 . 12 1 1 A 88 88 SER CB C 88 62.870 63.171 -0.301 1
1 1122 . 12 1 1 A 88 88 SER N N 88 109.530 113.311 -3.781 1
1 1123 . 12 1 1 A 89 89 ASP H H 89 8.170 8.614 -0.444 1
1 1124 . 12 1 1 A 89 89 ASP HA H 89 4.770 4.406 0.364 1
1 1127 . 12 1 1 A 89 89 ASP C C 89 175.730 176.505 -0.775 1
1 1128 . 12 1 1 A 89 89 ASP CA C 89 56.030 56.201 -0.171 1
1 1129 . 12 1 1 A 89 89 ASP CB C 89 41.380 40.038 1.342 1
1 1130 . 12 1 1 A 89 89 ASP N N 89 118.600 118.755 -0.155 1
1 1131 . 12 1 1 A 90 90 VAL H H 90 7.050 7.215 -0.165 1
1 1132 . 12 1 1 A 90 90 VAL HA H 90 4.050 2.782 1.268 1
1 1140 . 12 1 1 A 90 90 VAL CA C 90 56.960 58.455 -1.495 1
1 1141 . 12 1 1 A 90 90 VAL CB C 90 31.710 31.345 0.365 1
1 1144 . 12 1 1 A 90 90 VAL N N 90 109.580 114.936 -5.356 1
1 1145 . 12 1 1 A 91 91 PRO HA H 91 4.250 4.349 -0.099 1
1 1152 . 12 1 1 A 91 91 PRO C C 91 176.870 178.028 -1.158 1
1 1153 . 12 1 1 A 91 91 PRO CA C 91 65.190 64.452 0.738 1
1 1154 . 12 1 1 A 91 91 PRO CB C 91 31.470 31.863 -0.393 1
1 1157 . 12 1 1 A 92 92 TRP H H 92 6.720 7.934 -1.214 1
1 1158 . 12 1 1 A 92 92 TRP HA H 92 4.570 4.443 0.127 1
1 1167 . 12 1 1 A 92 92 TRP C C 92 176.630 179.344 -2.714 1
1 1168 . 12 1 1 A 92 92 TRP CA C 92 56.910 60.188 -3.278 1
1 1169 . 12 1 1 A 92 92 TRP CB C 92 27.990 28.176 -0.186 1
1 1175 . 12 1 1 A 92 92 TRP N N 92 115.110 117.856 -2.746 1
1 1177 . 12 1 1 A 93 93 LEU H H 93 7.150 7.168 -0.018 1
1 1178 . 12 1 1 A 93 93 LEU HA H 93 4.220 3.934 0.286 1
1 1188 . 12 1 1 A 93 93 LEU C C 93 176.210 177.707 -1.497 1
1 1189 . 12 1 1 A 93 93 LEU CA C 93 55.350 58.002 -2.652 1
1 1190 . 12 1 1 A 93 93 LEU CB C 93 42.190 41.332 0.858 1
1 1194 . 12 1 1 A 93 93 LEU N N 93 123.090 120.906 2.184 1
1 1195 . 12 1 1 A 94 94 MET H H 94 7.730 7.789 -0.059 1
1 1196 . 12 1 1 A 94 94 MET HA H 94 4.340 4.259 0.081 1
1 1201 . 12 1 1 A 94 94 MET C C 94 175.550 175.742 -0.192 1
1 1202 . 12 1 1 A 94 94 MET CA C 94 55.120 55.247 -0.127 1
1 1203 . 12 1 1 A 94 94 MET CB C 94 32.630 32.703 -0.073 1
1 1205 . 12 1 1 A 94 94 MET N N 94 118.250 118.081 0.169 1
1 1206 . 12 1 1 A 95 95 LYS H H 95 7.950 8.519 -0.569 1
1 1207 . 12 1 1 A 95 95 LYS HA H 95 4.260 4.850 -0.590 1
1 1210 . 12 1 1 A 95 95 LYS C C 95 176.130 174.941 1.189 1
1 1211 . 12 1 1 A 95 95 LYS CA C 95 56.150 54.464 1.686 1
1 1212 . 12 1 1 A 95 95 LYS CB C 95 33.010 34.971 -1.961 1
1 1213 . 12 1 1 A 95 95 LYS N N 95 121.650 123.889 -2.239 1
1 1214 . 12 1 1 A 96 96 LYS H H 96 8.260 8.790 -0.530 1
1 1215 . 12 1 1 A 96 96 LYS N N 96 123.570 124.414 -0.844 1
1 1216 . 12 1 1 A 97 97 PRO HA H 97 4.530 4.617 -0.087 1
1 1219 . 12 1 1 A 97 97 PRO C C 97 176.830 177.192 -0.362 1
1 1220 . 12 1 1 A 97 97 PRO CA C 97 63.180 62.601 0.579 1
1 1221 . 12 1 1 A 97 97 PRO CB C 97 32.050 32.189 -0.139 1
1 88 . 13 1 1 A 9 9 PRO HA H 9 4.410 4.349 0.061 1
1 95 . 13 1 1 A 9 9 PRO C C 9 176.460 176.899 -0.439 1
1 96 . 13 1 1 A 9 9 PRO CA C 9 63.030 62.312 0.718 1
1 97 . 13 1 1 A 9 9 PRO CB C 9 32.210 31.660 0.550 1
1 100 . 13 1 1 A 10 10 LEU H H 10 9.190 8.625 0.565 1
1 101 . 13 1 1 A 10 10 LEU HA H 10 4.640 4.619 0.021 1
1 111 . 13 1 1 A 10 10 LEU C C 10 176.620 176.177 0.443 1
1 112 . 13 1 1 A 10 10 LEU CA C 10 53.420 54.061 -0.641 1
1 113 . 13 1 1 A 10 10 LEU CB C 10 44.290 42.611 1.679 1
1 117 . 13 1 1 A 10 10 LEU N N 10 123.060 122.924 0.136 1
1 118 . 13 1 1 A 11 11 GLU H H 11 8.720 8.448 0.272 1
1 119 . 13 1 1 A 11 11 GLU HA H 11 4.490 5.064 -0.574 1
1 124 . 13 1 1 A 11 11 GLU C C 11 176.620 175.531 1.089 1
1 125 . 13 1 1 A 11 11 GLU CA C 11 57.060 54.909 2.151 1
1 126 . 13 1 1 A 11 11 GLU CB C 11 30.820 33.014 -2.194 1
1 128 . 13 1 1 A 11 11 GLU N N 11 121.330 118.441 2.889 1
1 129 . 13 1 1 A 12 12 ALA H H 12 8.760 8.791 -0.031 1
1 130 . 13 1 1 A 12 12 ALA HA H 12 5.390 5.284 0.106 1
1 134 . 13 1 1 A 12 12 ALA C C 12 176.040 175.584 0.456 1
1 135 . 13 1 1 A 12 12 ALA CA C 12 50.350 51.066 -0.716 1
1 136 . 13 1 1 A 12 12 ALA CB C 12 24.490 23.481 1.009 1
1 137 . 13 1 1 A 12 12 ALA N N 12 127.010 123.859 3.151 1
1 138 . 13 1 1 A 13 13 GLU H H 13 8.850 9.205 -0.355 1
1 139 . 13 1 1 A 13 13 GLU HA H 13 5.240 5.370 -0.130 1
1 144 . 13 1 1 A 13 13 GLU C C 13 175.320 175.573 -0.253 1
1 145 . 13 1 1 A 13 13 GLU CA C 13 55.580 55.098 0.482 1
1 146 . 13 1 1 A 13 13 GLU CB C 13 34.410 32.017 2.393 1
1 148 . 13 1 1 A 13 13 GLU N N 13 119.980 120.987 -1.007 1
1 149 . 13 1 1 A 14 14 ILE H H 14 8.420 8.884 -0.464 1
1 150 . 13 1 1 A 14 14 ILE HA H 14 4.210 4.624 -0.414 1
1 160 . 13 1 1 A 14 14 ILE C C 14 174.520 175.883 -1.363 1
1 161 . 13 1 1 A 14 14 ILE CA C 14 61.000 59.855 1.145 1
1 162 . 13 1 1 A 14 14 ILE CB C 14 40.430 39.356 1.074 1
1 166 . 13 1 1 A 14 14 ILE N N 14 123.990 125.073 -1.083 1
1 167 . 13 1 1 A 15 15 LYS H H 15 9.590 9.637 -0.047 1
1 168 . 13 1 1 A 15 15 LYS HA H 15 3.880 4.047 -0.167 1
1 177 . 13 1 1 A 15 15 LYS C C 15 176.880 176.657 0.223 1
1 178 . 13 1 1 A 15 15 LYS CA C 15 57.890 57.493 0.397 1
1 179 . 13 1 1 A 15 15 LYS CB C 15 30.550 30.292 0.258 1
1 183 . 13 1 1 A 15 15 LYS N N 15 124.930 128.501 -3.571 1
1 184 . 13 1 1 A 16 16 GLY H H 16 8.730 8.424 0.306 1
1 185 . 13 1 1 A 16 16 GLY HA2 H 16 3.670 3.905 -0.235 1
1 186 . 13 1 1 A 16 16 GLY HA3 H 16 4.230 3.910 0.320 1
1 187 . 13 1 1 A 16 16 GLY C C 16 174.360 174.184 0.176 1
1 188 . 13 1 1 A 16 16 GLY CA C 16 45.540 45.304 0.236 1
1 189 . 13 1 1 A 16 16 GLY N N 16 104.580 106.094 -1.514 1
1 190 . 13 1 1 A 17 17 THR H H 17 8.400 8.534 -0.134 1
1 191 . 13 1 1 A 17 17 THR HA H 17 4.490 4.256 0.234 1
1 196 . 13 1 1 A 17 17 THR C C 17 172.970 173.744 -0.774 1
1 197 . 13 1 1 A 17 17 THR CA C 17 62.580 63.735 -1.155 1
1 198 . 13 1 1 A 17 17 THR CB C 17 70.320 68.962 1.358 1
1 200 . 13 1 1 A 17 17 THR N N 17 120.070 117.058 3.012 1
1 201 . 13 1 1 A 18 18 LYS H H 18 8.750 8.739 0.011 1
1 202 . 13 1 1 A 18 18 LYS HA H 18 4.920 4.871 0.049 1
1 211 . 13 1 1 A 18 18 LYS C C 18 175.860 175.138 0.722 1
1 212 . 13 1 1 A 18 18 LYS CA C 18 56.350 56.035 0.315 1
1 213 . 13 1 1 A 18 18 LYS CB C 18 32.940 33.225 -0.285 1
1 217 . 13 1 1 A 18 18 LYS N N 18 127.270 127.942 -0.672 1
1 218 . 13 1 1 A 19 19 LEU H H 19 8.750 9.079 -0.329 1
1 219 . 13 1 1 A 19 19 LEU HA H 19 4.850 5.084 -0.234 1
1 229 . 13 1 1 A 19 19 LEU C C 19 174.210 175.720 -1.510 1
1 230 . 13 1 1 A 19 19 LEU CA C 19 55.160 53.408 1.752 1
1 231 . 13 1 1 A 19 19 LEU CB C 19 43.340 45.827 -2.487 1
1 235 . 13 1 1 A 19 19 LEU N N 19 123.470 127.465 -3.995 1
1 236 . 13 1 1 A 20 20 LYS H H 20 8.660 8.444 0.216 1
1 237 . 13 1 1 A 20 20 LYS HA H 20 5.180 4.863 0.317 1
1 246 . 13 1 1 A 20 20 LYS C C 20 175.650 175.819 -0.169 1
1 247 . 13 1 1 A 20 20 LYS CA C 20 54.630 55.390 -0.760 1
1 248 . 13 1 1 A 20 20 LYS CB C 20 34.710 34.081 0.629 1
1 252 . 13 1 1 A 20 20 LYS N N 20 118.320 120.595 -2.275 1
1 253 . 13 1 1 A 21 21 ALA H H 21 8.860 8.637 0.223 1
1 254 . 13 1 1 A 21 21 ALA HA H 21 5.470 5.439 0.031 1
1 258 . 13 1 1 A 21 21 ALA C C 21 174.740 175.617 -0.877 1
1 259 . 13 1 1 A 21 21 ALA CA C 21 49.510 50.489 -0.979 1
1 260 . 13 1 1 A 21 21 ALA CB C 21 22.990 24.216 -1.226 1
1 261 . 13 1 1 A 21 21 ALA N N 21 120.460 123.559 -3.099 1
1 262 . 13 1 1 A 22 22 HIS H H 22 9.140 9.016 0.124 1
1 263 . 13 1 1 A 22 22 HIS HA H 22 5.070 5.153 -0.083 1
1 268 . 13 1 1 A 22 22 HIS C C 22 174.310 174.133 0.177 1
1 269 . 13 1 1 A 22 22 HIS CA C 22 54.040 54.064 -0.024 1
1 270 . 13 1 1 A 22 22 HIS CB C 22 32.390 33.007 -0.617 1
1 272 . 13 1 1 A 22 22 HIS N N 22 119.890 114.162 5.728 1
1 273 . 13 1 1 A 23 23 TRP H H 23 9.160 9.040 0.120 1
1 274 . 13 1 1 A 23 23 TRP HA H 23 4.360 4.691 -0.331 1
1 283 . 13 1 1 A 23 23 TRP C C 23 175.070 174.752 0.318 1
1 284 . 13 1 1 A 23 23 TRP CA C 23 59.160 57.154 2.006 1
1 285 . 13 1 1 A 23 23 TRP CB C 23 30.710 29.643 1.067 1
1 291 . 13 1 1 A 23 23 TRP N N 23 126.610 126.938 -0.328 1
1 293 . 13 1 1 A 24 24 ASP H H 24 7.720 7.750 -0.030 1
1 294 . 13 1 1 A 24 24 ASP HA H 24 4.880 4.855 0.025 1
1 297 . 13 1 1 A 24 24 ASP C C 24 175.340 176.026 -0.686 1
1 298 . 13 1 1 A 24 24 ASP CA C 24 53.030 52.412 0.618 1
1 299 . 13 1 1 A 24 24 ASP CB C 24 43.510 41.860 1.650 1
1 300 . 13 1 1 A 24 24 ASP N N 24 126.750 128.182 -1.432 1
1 301 . 13 1 1 A 25 25 SER H H 25 8.490 8.362 0.128 1
1 302 . 13 1 1 A 25 25 SER HA H 25 3.580 3.509 0.071 1
1 305 . 13 1 1 A 25 25 SER C C 25 175.340 176.593 -1.253 1
1 306 . 13 1 1 A 25 25 SER CA C 25 60.640 60.822 -0.182 1
1 307 . 13 1 1 A 25 25 SER CB C 25 62.990 62.333 0.657 1
1 308 . 13 1 1 A 25 25 SER N N 25 119.220 119.469 -0.249 1
1 309 . 13 1 1 A 26 26 GLY H H 26 8.670 8.047 0.623 1
1 310 . 13 1 1 A 26 26 GLY HA2 H 26 3.630 3.743 -0.113 1
1 311 . 13 1 1 A 26 26 GLY HA3 H 26 4.200 3.748 0.452 1
1 312 . 13 1 1 A 26 26 GLY C C 26 174.190 174.832 -0.642 1
1 313 . 13 1 1 A 26 26 GLY CA C 26 44.760 47.112 -2.352 1
1 314 . 13 1 1 A 26 26 GLY N N 26 109.290 109.079 0.211 1
1 315 . 13 1 1 A 27 27 ALA H H 27 7.550 7.056 0.494 1
1 316 . 13 1 1 A 27 27 ALA HA H 27 4.370 4.234 0.136 1
1 320 . 13 1 1 A 27 27 ALA C C 27 178.430 177.360 1.070 1
1 321 . 13 1 1 A 27 27 ALA CA C 27 52.240 52.441 -0.201 1
1 322 . 13 1 1 A 27 27 ALA CB C 27 18.240 19.325 -1.085 1
1 323 . 13 1 1 A 27 27 ALA N N 27 124.840 122.630 2.210 1
1 324 . 13 1 1 A 28 28 THR H H 28 8.260 9.051 -0.791 1
1 325 . 13 1 1 A 28 28 THR HA H 28 4.230 4.460 -0.230 1
1 330 . 13 1 1 A 28 28 THR C C 28 173.830 174.525 -0.695 1
1 331 . 13 1 1 A 28 28 THR CA C 28 62.180 62.798 -0.618 1
1 332 . 13 1 1 A 28 28 THR CB C 28 69.240 69.520 -0.280 1
1 333 . 13 1 1 A 28 28 THR N N 28 112.480 116.401 -3.921 1
1 334 . 13 1 1 A 29 29 ILE H H 29 7.460 7.564 -0.104 1
1 335 . 13 1 1 A 29 29 ILE HA H 29 4.540 4.673 -0.133 1
1 345 . 13 1 1 A 29 29 ILE C C 29 173.440 174.096 -0.656 1
1 346 . 13 1 1 A 29 29 ILE CA C 29 60.540 59.261 1.279 1
1 347 . 13 1 1 A 29 29 ILE CB C 29 40.780 41.614 -0.834 1
1 351 . 13 1 1 A 29 29 ILE N N 29 118.820 120.132 -1.312 1
1 352 . 13 1 1 A 30 30 THR H H 30 9.380 8.647 0.733 1
1 353 . 13 1 1 A 30 30 THR HA H 30 4.870 4.272 0.598 1
1 358 . 13 1 1 A 30 30 THR C C 30 173.600 174.141 -0.541 1
1 359 . 13 1 1 A 30 30 THR CA C 30 64.280 63.388 0.892 1
1 360 . 13 1 1 A 30 30 THR CB C 30 69.840 69.053 0.787 1
1 361 . 13 1 1 A 30 30 THR N N 30 129.290 120.006 9.284 1
1 362 . 13 1 1 A 31 31 CYS H H 31 9.180 8.704 0.476 1
1 363 . 13 1 1 A 31 31 CYS HA H 31 5.530 5.321 0.209 1
1 366 . 13 1 1 A 31 31 CYS C C 31 174.420 173.883 0.537 1
1 367 . 13 1 1 A 31 31 CYS CA C 31 56.540 56.953 -0.413 1
1 368 . 13 1 1 A 31 31 CYS CB C 31 30.780 29.469 1.311 1
1 369 . 13 1 1 A 31 31 CYS N N 31 122.220 124.642 -2.422 1
1 370 . 13 1 1 A 32 32 VAL H H 32 9.090 8.809 0.281 1
1 371 . 13 1 1 A 32 32 VAL HA H 32 4.710 4.828 -0.118 1
1 379 . 13 1 1 A 32 32 VAL CA C 32 57.300 57.860 -0.560 1
1 380 . 13 1 1 A 32 32 VAL CB C 32 32.860 33.774 -0.914 1
1 383 . 13 1 1 A 32 32 VAL N N 32 117.890 118.246 -0.356 1
1 384 . 13 1 1 A 33 33 PRO HA H 33 4.530 5.252 -0.722 1
1 391 . 13 1 1 A 33 33 PRO C C 33 178.110 177.792 0.318 1
1 392 . 13 1 1 A 33 33 PRO CA C 33 64.140 62.545 1.595 1
1 393 . 13 1 1 A 33 33 PRO CB C 33 32.200 32.209 -0.009 1
1 396 . 13 1 1 A 34 34 GLU H H 34 8.380 8.661 -0.281 1
1 397 . 13 1 1 A 34 34 GLU HA H 34 3.730 3.926 -0.196 1
1 402 . 13 1 1 A 34 34 GLU C C 34 177.830 178.296 -0.466 1
1 403 . 13 1 1 A 34 34 GLU CA C 34 59.480 59.579 -0.099 1
1 404 . 13 1 1 A 34 34 GLU CB C 34 29.860 29.390 0.470 1
1 406 . 13 1 1 A 34 34 GLU N N 34 122.200 124.559 -2.359 1
1 407 . 13 1 1 A 35 35 ALA H H 35 9.050 8.123 0.927 1
1 408 . 13 1 1 A 35 35 ALA HA H 35 4.030 4.019 0.011 1
1 412 . 13 1 1 A 35 35 ALA C C 35 180.250 179.036 1.214 1
1 413 . 13 1 1 A 35 35 ALA CA C 35 54.850 54.834 0.016 1
1 414 . 13 1 1 A 35 35 ALA CB C 35 18.160 18.518 -0.358 1
1 415 . 13 1 1 A 35 35 ALA N N 35 123.090 122.010 1.080 1
1 416 . 13 1 1 A 36 36 PHE H H 36 7.510 8.246 -0.736 1
1 417 . 13 1 1 A 36 36 PHE HA H 36 4.370 4.373 -0.003 1
1 425 . 13 1 1 A 36 36 PHE C C 36 174.870 176.870 -2.000 1
1 426 . 13 1 1 A 36 36 PHE CA C 36 60.160 59.771 0.389 1
1 427 . 13 1 1 A 36 36 PHE CB C 36 38.930 39.092 -0.162 1
1 433 . 13 1 1 A 36 36 PHE N N 36 112.030 115.289 -3.259 1
1 434 . 13 1 1 A 37 37 LEU H H 37 7.640 8.166 -0.526 1
1 435 . 13 1 1 A 37 37 LEU HA H 37 4.230 4.538 -0.308 1
1 445 . 13 1 1 A 37 37 LEU C C 37 177.380 177.225 0.155 1
1 446 . 13 1 1 A 37 37 LEU CA C 37 53.080 54.619 -1.539 1
1 447 . 13 1 1 A 37 37 LEU CB C 37 41.050 41.397 -0.347 1
1 451 . 13 1 1 A 37 37 LEU N N 37 116.800 118.725 -1.925 1
1 452 . 13 1 1 A 38 38 GLU H H 38 7.050 7.955 -0.905 1
1 453 . 13 1 1 A 38 38 GLU HA H 38 3.980 4.022 -0.042 1
1 458 . 13 1 1 A 38 38 GLU C C 38 176.630 177.693 -1.063 1
1 459 . 13 1 1 A 38 38 GLU CA C 38 59.250 59.654 -0.404 1
1 460 . 13 1 1 A 38 38 GLU CB C 38 29.870 29.465 0.405 1
1 462 . 13 1 1 A 38 38 GLU N N 38 121.260 120.989 0.271 1
1 463 . 13 1 1 A 39 39 ASP H H 39 8.690 7.842 0.848 1
1 464 . 13 1 1 A 39 39 ASP HA H 39 4.700 4.873 -0.173 1
1 467 . 13 1 1 A 39 39 ASP C C 39 175.570 175.454 0.116 1
1 468 . 13 1 1 A 39 39 ASP CA C 39 53.760 53.909 -0.149 1
1 469 . 13 1 1 A 39 39 ASP CB C 39 40.010 41.156 -1.146 1
1 470 . 13 1 1 A 39 39 ASP N N 39 115.590 116.883 -1.293 1
1 471 . 13 1 1 A 40 40 GLU H H 40 7.460 8.153 -0.693 1
1 472 . 13 1 1 A 40 40 GLU HA H 40 4.720 4.388 0.332 1
1 477 . 13 1 1 A 40 40 GLU C C 40 175.660 176.083 -0.423 1
1 478 . 13 1 1 A 40 40 GLU CA C 40 54.240 56.942 -2.702 1
1 479 . 13 1 1 A 40 40 GLU CB C 40 31.240 29.979 1.261 1
1 481 . 13 1 1 A 40 40 GLU N N 40 118.210 119.253 -1.043 1
1 482 . 13 1 1 A 41 41 ARG H H 41 9.130 8.912 0.218 1
1 483 . 13 1 1 A 41 41 ARG HA H 41 5.080 5.037 0.043 1
1 490 . 13 1 1 A 41 41 ARG CA C 41 52.540 53.342 -0.802 1
1 491 . 13 1 1 A 41 41 ARG CB C 41 31.240 31.514 -0.274 1
1 494 . 13 1 1 A 41 41 ARG N N 41 121.830 125.165 -3.335 1
1 495 . 13 1 1 A 42 42 PRO HA H 42 3.840 4.443 -0.603 1
1 502 . 13 1 1 A 42 42 PRO C C 42 177.180 177.113 0.067 1
1 503 . 13 1 1 A 42 42 PRO CA C 42 63.010 62.327 0.683 1
1 504 . 13 1 1 A 42 42 PRO CB C 42 32.490 31.184 1.306 1
1 507 . 13 1 1 A 43 43 ILE H H 43 9.110 7.901 1.209 1
1 508 . 13 1 1 A 43 43 ILE HA H 43 4.410 4.035 0.375 1
1 518 . 13 1 1 A 43 43 ILE C C 43 176.220 176.036 0.184 1
1 519 . 13 1 1 A 43 43 ILE CA C 43 61.480 62.771 -1.291 1
1 520 . 13 1 1 A 43 43 ILE CB C 43 39.510 38.227 1.283 1
1 524 . 13 1 1 A 43 43 ILE N N 43 115.610 119.866 -4.256 1
1 525 . 13 1 1 A 44 44 GLN H H 44 7.750 7.583 0.167 1
1 526 . 13 1 1 A 44 44 GLN HA H 44 4.610 4.753 -0.143 1
1 533 . 13 1 1 A 44 44 GLN C C 44 173.610 174.331 -0.721 1
1 534 . 13 1 1 A 44 44 GLN CA C 44 55.140 54.410 0.730 1
1 535 . 13 1 1 A 44 44 GLN CB C 44 31.460 34.125 -2.665 1
1 537 . 13 1 1 A 44 44 GLN N N 44 118.360 119.719 -1.359 1
1 539 . 13 1 1 A 45 45 THR H H 45 8.560 8.770 -0.210 1
1 540 . 13 1 1 A 45 45 THR HA H 45 5.140 5.078 0.062 1
1 545 . 13 1 1 A 45 45 THR C C 45 177.830 173.517 4.313 1
1 546 . 13 1 1 A 45 45 THR CA C 45 61.450 60.021 1.429 1
1 547 . 13 1 1 A 45 45 THR CB C 45 71.380 71.736 -0.356 1
1 549 . 13 1 1 A 45 45 THR N N 45 115.470 112.414 3.056 1
1 550 . 13 1 1 A 46 46 MET H H 46 9.100 9.252 -0.152 1
1 551 . 13 1 1 A 46 46 MET HA H 46 4.730 4.970 -0.240 1
1 556 . 13 1 1 A 46 46 MET C C 46 173.520 173.741 -0.221 1
1 557 . 13 1 1 A 46 46 MET CA C 46 54.560 54.468 0.092 1
1 558 . 13 1 1 A 46 46 MET CB C 46 36.500 37.208 -0.708 1
1 560 . 13 1 1 A 46 46 MET N N 46 123.160 120.971 2.189 1
1 561 . 13 1 1 A 47 47 LEU H H 47 8.490 8.633 -0.143 1
1 562 . 13 1 1 A 47 47 LEU HA H 47 4.730 4.916 -0.186 1
1 572 . 13 1 1 A 47 47 LEU C C 47 176.210 174.743 1.467 1
1 573 . 13 1 1 A 47 47 LEU CA C 47 54.440 53.742 0.698 1
1 574 . 13 1 1 A 47 47 LEU CB C 47 42.540 43.987 -1.447 1
1 578 . 13 1 1 A 47 47 LEU N N 47 124.300 125.261 -0.961 1
1 579 . 13 1 1 A 48 48 ILE H H 48 8.990 9.036 -0.046 1
1 580 . 13 1 1 A 48 48 ILE HA H 48 4.430 4.801 -0.371 1
1 590 . 13 1 1 A 48 48 ILE C C 48 175.040 174.581 0.459 1
1 591 . 13 1 1 A 48 48 ILE CA C 48 59.150 60.188 -1.038 1
1 592 . 13 1 1 A 48 48 ILE CB C 48 39.910 40.322 -0.412 1
1 596 . 13 1 1 A 48 48 ILE N N 48 125.760 128.642 -2.882 1
1 597 . 13 1 1 A 49 49 LYS H H 49 8.710 8.907 -0.197 1
1 598 . 13 1 1 A 49 49 LYS HA H 49 4.550 5.027 -0.477 1
1 607 . 13 1 1 A 49 49 LYS C C 49 176.060 176.067 -0.007 1
1 608 . 13 1 1 A 49 49 LYS CA C 49 56.570 55.154 1.416 1
1 609 . 13 1 1 A 49 49 LYS CB C 49 33.010 34.911 -1.901 1
1 613 . 13 1 1 A 49 49 LYS N N 49 126.480 127.028 -0.548 1
1 614 . 13 1 1 A 50 50 THR H H 50 8.150 8.967 -0.817 1
1 615 . 13 1 1 A 50 50 THR HA H 50 4.860 4.986 -0.126 1
1 620 . 13 1 1 A 50 50 THR CA C 50 60.030 59.511 0.519 1
1 621 . 13 1 1 A 50 50 THR CB C 50 72.820 71.992 0.828 1
1 623 . 13 1 1 A 50 50 THR N N 50 116.220 113.486 2.734 1
1 624 . 13 1 1 A 51 51 ILE HA H 51 4.400 3.797 0.603 1
1 634 . 13 1 1 A 51 51 ILE C C 51 176.140 177.984 -1.844 1
1 635 . 13 1 1 A 51 51 ILE CA C 51 63.450 65.254 -1.804 1
1 636 . 13 1 1 A 51 51 ILE CB C 51 37.970 37.643 0.327 1
1 640 . 13 1 1 A 52 52 HIS H H 52 7.820 8.117 -0.297 1
1 641 . 13 1 1 A 52 52 HIS HA H 52 4.830 4.258 0.572 1
1 644 . 13 1 1 A 52 52 HIS C C 52 175.190 175.284 -0.094 1
1 645 . 13 1 1 A 52 52 HIS CA C 52 55.670 59.431 -3.761 1
1 646 . 13 1 1 A 52 52 HIS CB C 52 31.260 30.044 1.216 1
1 647 . 13 1 1 A 52 52 HIS N N 52 118.280 119.157 -0.877 1
1 648 . 13 1 1 A 53 53 GLY H H 53 7.590 7.381 0.209 1
1 649 . 13 1 1 A 53 53 GLY HA2 H 53 3.880 3.915 -0.035 1
1 650 . 13 1 1 A 53 53 GLY HA3 H 53 4.510 3.930 0.580 1
1 651 . 13 1 1 A 53 53 GLY C C 53 173.360 171.645 1.715 1
1 652 . 13 1 1 A 53 53 GLY CA C 53 44.510 45.752 -1.242 1
1 653 . 13 1 1 A 53 53 GLY N N 53 108.490 104.925 3.565 1
1 654 . 13 1 1 A 54 54 GLU H H 54 8.710 8.524 0.186 1
1 655 . 13 1 1 A 54 54 GLU HA H 54 5.050 4.539 0.511 1
1 660 . 13 1 1 A 54 54 GLU C C 54 175.890 176.195 -0.305 1
1 661 . 13 1 1 A 54 54 GLU CA C 54 55.980 56.243 -0.263 1
1 662 . 13 1 1 A 54 54 GLU CB C 54 31.610 30.347 1.263 1
1 664 . 13 1 1 A 54 54 GLU N N 54 121.850 120.498 1.352 1
1 665 . 13 1 1 A 55 55 LYS H H 55 8.930 9.255 -0.325 1
1 666 . 13 1 1 A 55 55 LYS HA H 55 4.670 4.992 -0.322 1
1 675 . 13 1 1 A 55 55 LYS C C 55 174.630 174.448 0.182 1
1 676 . 13 1 1 A 55 55 LYS CA C 55 54.750 54.748 0.002 1
1 677 . 13 1 1 A 55 55 LYS CB C 55 35.910 35.724 0.186 1
1 681 . 13 1 1 A 55 55 LYS N N 55 123.380 123.447 -0.067 1
1 682 . 13 1 1 A 56 56 GLN H H 56 8.670 8.770 -0.100 1
1 683 . 13 1 1 A 56 56 GLN HA H 56 4.820 4.925 -0.105 1
1 688 . 13 1 1 A 56 56 GLN C C 56 175.780 174.592 1.188 1
1 689 . 13 1 1 A 56 56 GLN CA C 56 55.500 54.731 0.769 1
1 690 . 13 1 1 A 56 56 GLN CB C 56 29.470 30.961 -1.491 1
1 692 . 13 1 1 A 56 56 GLN N N 56 122.950 122.655 0.295 1
1 693 . 13 1 1 A 57 57 GLN H H 57 9.210 8.901 0.309 1
1 694 . 13 1 1 A 57 57 GLN HA H 57 4.740 5.072 -0.332 1
1 701 . 13 1 1 A 57 57 GLN C C 57 174.100 174.318 -0.218 1
1 702 . 13 1 1 A 57 57 GLN CA C 57 54.760 54.268 0.492 1
1 703 . 13 1 1 A 57 57 GLN CB C 57 32.670 32.367 0.303 1
1 705 . 13 1 1 A 57 57 GLN N N 57 125.030 127.815 -2.785 1
1 707 . 13 1 1 A 58 58 ASP H H 58 8.570 9.101 -0.531 1
1 708 . 13 1 1 A 58 58 ASP HA H 58 4.860 5.273 -0.413 1
1 711 . 13 1 1 A 58 58 ASP C C 58 173.690 174.521 -0.831 1
1 712 . 13 1 1 A 58 58 ASP CA C 58 55.090 52.855 2.235 1
1 713 . 13 1 1 A 58 58 ASP CB C 58 42.120 43.826 -1.706 1
1 714 . 13 1 1 A 58 58 ASP N N 58 124.680 125.873 -1.193 1
1 715 . 13 1 1 A 59 59 VAL H H 59 8.480 8.698 -0.218 1
1 716 . 13 1 1 A 59 59 VAL HA H 59 4.610 4.754 -0.144 1
1 724 . 13 1 1 A 59 59 VAL C C 59 174.600 173.537 1.063 1
1 725 . 13 1 1 A 59 59 VAL CA C 59 61.130 60.358 0.772 1
1 726 . 13 1 1 A 59 59 VAL CB C 59 34.250 33.853 0.397 1
1 729 . 13 1 1 A 59 59 VAL N N 59 121.270 121.198 0.072 1
1 730 . 13 1 1 A 60 60 TYR H H 60 9.390 9.254 0.136 1
1 731 . 13 1 1 A 60 60 TYR HA H 60 4.800 5.150 -0.350 1
1 738 . 13 1 1 A 60 60 TYR C C 60 173.840 174.188 -0.348 1
1 739 . 13 1 1 A 60 60 TYR CA C 60 56.840 56.477 0.363 1
1 740 . 13 1 1 A 60 60 TYR CB C 60 41.190 41.764 -0.574 1
1 745 . 13 1 1 A 60 60 TYR N N 60 125.760 127.358 -1.598 1
1 746 . 13 1 1 A 61 61 TYR H H 61 9.300 9.046 0.254 1
1 747 . 13 1 1 A 61 61 TYR HA H 61 5.370 5.521 -0.151 1
1 754 . 13 1 1 A 61 61 TYR C C 61 174.300 174.156 0.144 1
1 755 . 13 1 1 A 61 61 TYR CA C 61 57.490 56.984 0.506 1
1 756 . 13 1 1 A 61 61 TYR CB C 61 40.900 40.745 0.155 1
1 761 . 13 1 1 A 61 61 TYR N N 61 122.890 124.562 -1.672 1
1 762 . 13 1 1 A 62 62 LEU H H 62 8.770 8.991 -0.221 1
1 763 . 13 1 1 A 62 62 LEU HA H 62 4.780 5.147 -0.367 1
1 773 . 13 1 1 A 62 62 LEU C C 62 174.070 176.059 -1.989 1
1 774 . 13 1 1 A 62 62 LEU CA C 62 53.760 53.474 0.286 1
1 775 . 13 1 1 A 62 62 LEU CB C 62 49.020 45.824 3.196 1
1 779 . 13 1 1 A 62 62 LEU N N 62 129.700 128.767 0.933 1
1 780 . 13 1 1 A 63 63 THR H H 63 7.960 8.820 -0.860 1
1 781 . 13 1 1 A 63 63 THR HA H 63 5.410 5.088 0.322 1
1 786 . 13 1 1 A 63 63 THR C C 63 173.860 174.238 -0.378 1
1 787 . 13 1 1 A 63 63 THR CA C 63 60.850 61.162 -0.312 1
1 788 . 13 1 1 A 63 63 THR CB C 63 69.790 70.832 -1.042 1
1 790 . 13 1 1 A 63 63 THR N N 63 118.460 116.016 2.444 1
1 791 . 13 1 1 A 64 64 PHE H H 64 9.270 8.400 0.870 1
1 792 . 13 1 1 A 64 64 PHE HA H 64 5.100 5.383 -0.283 1
1 800 . 13 1 1 A 64 64 PHE C C 64 172.280 172.473 -0.193 1
1 801 . 13 1 1 A 64 64 PHE CA C 64 56.020 55.465 0.555 1
1 802 . 13 1 1 A 64 64 PHE CB C 64 38.350 42.045 -3.695 1
1 808 . 13 1 1 A 64 64 PHE N N 64 123.960 122.798 1.162 1
1 809 . 13 1 1 A 65 65 LYS H H 65 8.750 8.815 -0.065 1
1 810 . 13 1 1 A 65 65 LYS HA H 65 5.500 5.086 0.414 1
1 819 . 13 1 1 A 65 65 LYS C C 65 176.300 175.478 0.822 1
1 820 . 13 1 1 A 65 65 LYS CA C 65 54.900 55.311 -0.411 1
1 821 . 13 1 1 A 65 65 LYS CB C 65 37.730 34.030 3.700 1
1 825 . 13 1 1 A 65 65 LYS N N 65 117.930 119.576 -1.646 1
1 826 . 13 1 1 A 66 66 VAL H H 66 8.840 9.289 -0.449 1
1 827 . 13 1 1 A 66 66 VAL HA H 66 4.520 4.598 -0.078 1
1 835 . 13 1 1 A 66 66 VAL C C 66 175.550 176.037 -0.487 1
1 836 . 13 1 1 A 66 66 VAL CA C 66 62.130 61.308 0.822 1
1 837 . 13 1 1 A 66 66 VAL CB C 66 35.100 33.098 2.002 1
1 840 . 13 1 1 A 66 66 VAL N N 66 119.330 124.663 -5.333 1
1 841 . 13 1 1 A 67 67 GLN H H 67 9.690 9.410 0.280 1
1 842 . 13 1 1 A 67 67 GLN HA H 67 4.050 4.075 -0.025 1
1 849 . 13 1 1 A 67 67 GLN C C 67 176.300 176.268 0.032 1
1 850 . 13 1 1 A 67 67 GLN CA C 67 56.720 57.135 -0.415 1
1 851 . 13 1 1 A 67 67 GLN CB C 67 28.230 26.753 1.477 1
1 853 . 13 1 1 A 67 67 GLN N N 67 125.930 128.925 -2.995 1
1 855 . 13 1 1 A 68 68 GLY H H 68 8.980 8.737 0.243 1
1 856 . 13 1 1 A 68 68 GLY HA2 H 68 3.510 3.830 -0.320 1
1 857 . 13 1 1 A 68 68 GLY HA3 H 68 4.140 3.841 0.299 1
1 858 . 13 1 1 A 68 68 GLY C C 68 173.410 173.799 -0.389 1
1 859 . 13 1 1 A 68 68 GLY CA C 68 45.460 45.604 -0.144 1
1 860 . 13 1 1 A 68 68 GLY N N 68 103.510 104.661 -1.151 1
1 861 . 13 1 1 A 69 69 ARG H H 69 8.070 7.840 0.230 1
1 862 . 13 1 1 A 69 69 ARG HA H 69 4.400 4.510 -0.110 1
1 869 . 13 1 1 A 69 69 ARG C C 69 174.880 174.855 0.025 1
1 870 . 13 1 1 A 69 69 ARG CA C 69 54.730 54.423 0.307 1
1 871 . 13 1 1 A 69 69 ARG CB C 69 31.520 32.031 -0.511 1
1 874 . 13 1 1 A 69 69 ARG N N 69 122.680 120.104 2.576 1
1 875 . 13 1 1 A 70 70 LYS H H 70 8.390 8.639 -0.249 1
1 876 . 13 1 1 A 70 70 LYS HA H 70 4.220 4.298 -0.078 1
1 885 . 13 1 1 A 70 70 LYS C C 70 175.330 174.913 0.417 1
1 886 . 13 1 1 A 70 70 LYS CA C 70 57.860 56.945 0.915 1
1 887 . 13 1 1 A 70 70 LYS CB C 70 32.790 32.720 0.070 1
1 891 . 13 1 1 A 70 70 LYS N N 70 123.590 127.164 -3.574 1
1 892 . 13 1 1 A 71 71 VAL H H 71 9.050 8.709 0.341 1
1 893 . 13 1 1 A 71 71 VAL HA H 71 4.140 4.628 -0.488 1
1 901 . 13 1 1 A 71 71 VAL C C 71 173.310 174.066 -0.756 1
1 902 . 13 1 1 A 71 71 VAL CA C 71 61.370 60.517 0.853 1
1 903 . 13 1 1 A 71 71 VAL CB C 71 34.610 35.437 -0.827 1
1 906 . 13 1 1 A 71 71 VAL N N 71 128.340 126.844 1.496 1
1 907 . 13 1 1 A 72 72 GLU H H 72 8.150 8.779 -0.629 1
1 908 . 13 1 1 A 72 72 GLU HA H 72 4.970 4.973 -0.003 1
1 913 . 13 1 1 A 72 72 GLU C C 72 174.910 175.405 -0.495 1
1 914 . 13 1 1 A 72 72 GLU CA C 72 54.490 54.753 -0.263 1
1 915 . 13 1 1 A 72 72 GLU CB C 72 31.410 32.911 -1.501 1
1 917 . 13 1 1 A 72 72 GLU N N 72 124.430 125.324 -0.894 1
1 918 . 13 1 1 A 73 73 ALA H H 73 8.420 8.036 0.384 1
1 919 . 13 1 1 A 73 73 ALA HA H 73 4.770 4.764 0.006 1
1 923 . 13 1 1 A 73 73 ALA C C 73 175.140 175.884 -0.744 1
1 924 . 13 1 1 A 73 73 ALA CA C 73 51.050 50.901 0.149 1
1 925 . 13 1 1 A 73 73 ALA CB C 73 23.060 22.648 0.412 1
1 926 . 13 1 1 A 73 73 ALA N N 73 124.790 122.590 2.200 1
1 927 . 13 1 1 A 74 74 GLU H H 74 8.520 8.398 0.122 1
1 928 . 13 1 1 A 74 74 GLU HA H 74 5.260 5.265 -0.005 1
1 933 . 13 1 1 A 74 74 GLU C C 74 176.570 175.560 1.010 1
1 934 . 13 1 1 A 74 74 GLU CA C 74 55.770 56.673 -0.903 1
1 935 . 13 1 1 A 74 74 GLU CB C 74 29.840 31.501 -1.661 1
1 937 . 13 1 1 A 74 74 GLU N N 74 120.480 118.590 1.890 1
1 938 . 13 1 1 A 75 75 VAL H H 75 9.240 8.801 0.439 1
1 939 . 13 1 1 A 75 75 VAL HA H 75 5.730 5.157 0.573 1
1 947 . 13 1 1 A 75 75 VAL C C 75 174.700 173.794 0.906 1
1 948 . 13 1 1 A 75 75 VAL CA C 75 57.950 60.493 -2.543 1
1 949 . 13 1 1 A 75 75 VAL CB C 75 36.540 36.023 0.517 1
1 952 . 13 1 1 A 75 75 VAL N N 75 113.070 120.177 -7.107 1
1 953 . 13 1 1 A 76 76 LEU H H 76 8.420 8.534 -0.114 1
1 954 . 13 1 1 A 76 76 LEU HA H 76 5.110 5.237 -0.127 1
1 964 . 13 1 1 A 76 76 LEU C C 76 176.970 174.607 2.363 1
1 965 . 13 1 1 A 76 76 LEU CA C 76 52.370 53.187 -0.817 1
1 966 . 13 1 1 A 76 76 LEU CB C 76 45.230 46.347 -1.117 1
1 970 . 13 1 1 A 76 76 LEU N N 76 117.790 127.396 -9.606 1
1 971 . 13 1 1 A 77 77 ALA H H 77 8.930 8.545 0.385 1
1 972 . 13 1 1 A 77 77 ALA HA H 77 4.500 4.733 -0.233 1
1 976 . 13 1 1 A 77 77 ALA C C 77 177.950 176.749 1.201 1
1 977 . 13 1 1 A 77 77 ALA CA C 77 52.090 51.998 0.092 1
1 978 . 13 1 1 A 77 77 ALA CB C 77 20.280 19.499 0.781 1
1 979 . 13 1 1 A 77 77 ALA N N 77 122.210 129.024 -6.814 1
1 980 . 13 1 1 A 78 78 SER H H 78 8.380 8.501 -0.121 1
1 981 . 13 1 1 A 78 78 SER HA H 78 5.010 4.926 0.084 1
1 984 . 13 1 1 A 78 78 SER CA C 78 54.230 55.299 -1.069 1
1 985 . 13 1 1 A 78 78 SER CB C 78 66.050 66.131 -0.081 1
1 986 . 13 1 1 A 78 78 SER N N 78 117.830 116.787 1.043 1
1 987 . 13 1 1 A 79 79 PRO HA H 79 4.660 4.482 0.178 1
1 994 . 13 1 1 A 79 79 PRO C C 79 176.150 175.941 0.209 1
1 995 . 13 1 1 A 79 79 PRO CA C 79 62.860 63.264 -0.404 1
1 996 . 13 1 1 A 79 79 PRO CB C 79 31.230 31.793 -0.563 1
1 999 . 13 1 1 A 80 80 TYR H H 80 7.380 7.224 0.156 1
1 1000 . 13 1 1 A 80 80 TYR HA H 80 4.710 4.692 0.018 1
1 1007 . 13 1 1 A 80 80 TYR C C 80 175.550 176.191 -0.641 1
1 1008 . 13 1 1 A 80 80 TYR CA C 80 56.150 57.789 -1.639 1
1 1009 . 13 1 1 A 80 80 TYR CB C 80 38.490 39.313 -0.823 1
1 1014 . 13 1 1 A 80 80 TYR N N 80 120.860 120.452 0.408 1
1 1015 . 13 1 1 A 81 81 ASP H H 81 8.290 9.009 -0.719 1
1 1016 . 13 1 1 A 81 81 ASP HA H 81 4.640 4.923 -0.283 1
1 1019 . 13 1 1 A 81 81 ASP C C 81 175.290 175.168 0.122 1
1 1020 . 13 1 1 A 81 81 ASP CA C 81 53.560 53.351 0.209 1
1 1021 . 13 1 1 A 81 81 ASP CB C 81 40.650 41.415 -0.765 1
1 1022 . 13 1 1 A 81 81 ASP N N 81 115.600 119.173 -3.573 1
1 1023 . 13 1 1 A 82 82 TYR H H 82 6.680 7.650 -0.970 1
1 1024 . 13 1 1 A 82 82 TYR HA H 82 5.160 5.223 -0.063 1
1 1031 . 13 1 1 A 82 82 TYR C C 82 173.930 173.082 0.848 1
1 1032 . 13 1 1 A 82 82 TYR CA C 82 53.190 55.800 -2.610 1
1 1033 . 13 1 1 A 82 82 TYR CB C 82 40.820 41.663 -0.843 1
1 1038 . 13 1 1 A 82 82 TYR N N 82 116.100 115.978 0.122 1
1 1039 . 13 1 1 A 83 83 ILE H H 83 8.900 8.663 0.237 1
1 1040 . 13 1 1 A 83 83 ILE HA H 83 4.480 4.548 -0.068 1
1 1050 . 13 1 1 A 83 83 ILE C C 83 175.160 174.849 0.311 1
1 1051 . 13 1 1 A 83 83 ILE CA C 83 60.940 59.302 1.638 1
1 1052 . 13 1 1 A 83 83 ILE CB C 83 40.980 41.932 -0.952 1
1 1056 . 13 1 1 A 83 83 ILE N N 83 119.050 119.091 -0.041 1
1 1057 . 13 1 1 A 84 84 LEU H H 84 8.740 9.710 -0.970 1
1 1058 . 13 1 1 A 84 84 LEU HA H 84 5.140 5.285 -0.145 1
1 1068 . 13 1 1 A 84 84 LEU C C 84 174.920 175.458 -0.538 1
1 1069 . 13 1 1 A 84 84 LEU CA C 84 53.800 53.615 0.185 1
1 1070 . 13 1 1 A 84 84 LEU CB C 84 44.100 43.959 0.141 1
1 1074 . 13 1 1 A 84 84 LEU N N 84 130.660 126.330 4.330 1
1 1075 . 13 1 1 A 85 85 LEU H H 85 9.010 8.824 0.186 1
1 1076 . 13 1 1 A 85 85 LEU HA H 85 4.470 4.970 -0.500 1
1 1086 . 13 1 1 A 85 85 LEU C C 85 174.660 175.442 -0.782 1
1 1087 . 13 1 1 A 85 85 LEU CA C 85 54.080 53.244 0.836 1
1 1088 . 13 1 1 A 85 85 LEU CB C 85 44.350 44.660 -0.310 1
1 1092 . 13 1 1 A 85 85 LEU N N 85 125.210 123.417 1.793 1
1 1093 . 13 1 1 A 86 86 ASN H H 86 8.370 8.565 -0.195 1
1 1094 . 13 1 1 A 86 86 ASN HA H 86 4.680 4.939 -0.259 1
1 1099 . 13 1 1 A 86 86 ASN CA C 86 49.780 49.916 -0.136 1
1 1100 . 13 1 1 A 86 86 ASN CB C 86 38.890 40.488 -1.598 1
1 1101 . 13 1 1 A 86 86 ASN N N 86 122.970 121.349 1.621 1
1 1103 . 13 1 1 A 87 87 PRO HA H 87 3.600 4.537 -0.937 1
1 1110 . 13 1 1 A 87 87 PRO C C 87 178.740 178.408 0.332 1
1 1111 . 13 1 1 A 87 87 PRO CA C 87 65.050 64.830 0.220 1
1 1112 . 13 1 1 A 87 87 PRO CB C 87 33.160 32.143 1.017 1
1 1115 . 13 1 1 A 88 88 SER H H 88 7.580 9.408 -1.828 1
1 1116 . 13 1 1 A 88 88 SER HA H 88 4.100 4.250 -0.150 1
1 1119 . 13 1 1 A 88 88 SER C C 88 175.480 176.634 -1.154 1
1 1120 . 13 1 1 A 88 88 SER CA C 88 60.730 61.093 -0.363 1
1 1121 . 13 1 1 A 88 88 SER CB C 88 62.870 63.261 -0.391 1
1 1122 . 13 1 1 A 88 88 SER N N 88 109.530 113.831 -4.301 1
1 1123 . 13 1 1 A 89 89 ASP H H 89 8.170 8.117 0.053 1
1 1124 . 13 1 1 A 89 89 ASP HA H 89 4.770 4.548 0.222 1
1 1127 . 13 1 1 A 89 89 ASP C C 89 175.730 176.963 -1.233 1
1 1128 . 13 1 1 A 89 89 ASP CA C 89 56.030 56.706 -0.676 1
1 1129 . 13 1 1 A 89 89 ASP CB C 89 41.380 41.307 0.073 1
1 1130 . 13 1 1 A 89 89 ASP N N 89 118.600 120.239 -1.639 1
1 1131 . 13 1 1 A 90 90 VAL H H 90 7.050 7.375 -0.325 1
1 1132 . 13 1 1 A 90 90 VAL HA H 90 4.050 3.132 0.918 1
1 1140 . 13 1 1 A 90 90 VAL CA C 90 56.960 58.416 -1.456 1
1 1141 . 13 1 1 A 90 90 VAL CB C 90 31.710 31.204 0.506 1
1 1144 . 13 1 1 A 90 90 VAL N N 90 109.580 112.402 -2.822 1
1 1145 . 13 1 1 A 91 91 PRO HA H 91 4.250 4.394 -0.144 1
1 1152 . 13 1 1 A 91 91 PRO C C 91 176.870 177.865 -0.995 1
1 1153 . 13 1 1 A 91 91 PRO CA C 91 65.190 64.475 0.715 1
1 1154 . 13 1 1 A 91 91 PRO CB C 91 31.470 31.832 -0.362 1
1 1157 . 13 1 1 A 92 92 TRP H H 92 6.720 7.889 -1.169 1
1 1158 . 13 1 1 A 92 92 TRP HA H 92 4.570 4.452 0.118 1
1 1167 . 13 1 1 A 92 92 TRP C C 92 176.630 178.112 -1.482 1
1 1168 . 13 1 1 A 92 92 TRP CA C 92 56.910 59.859 -2.949 1
1 1169 . 13 1 1 A 92 92 TRP CB C 92 27.990 28.124 -0.134 1
1 1175 . 13 1 1 A 92 92 TRP N N 92 115.110 117.680 -2.570 1
1 1177 . 13 1 1 A 93 93 LEU H H 93 7.150 7.240 -0.090 1
1 1178 . 13 1 1 A 93 93 LEU HA H 93 4.220 4.035 0.185 1
1 1188 . 13 1 1 A 93 93 LEU C C 93 176.210 176.627 -0.417 1
1 1189 . 13 1 1 A 93 93 LEU CA C 93 55.350 57.891 -2.541 1
1 1190 . 13 1 1 A 93 93 LEU CB C 93 42.190 41.366 0.824 1
1 1194 . 13 1 1 A 93 93 LEU N N 93 123.090 123.733 -0.643 1
1 1195 . 13 1 1 A 94 94 MET H H 94 7.730 7.775 -0.045 1
1 1196 . 13 1 1 A 94 94 MET HA H 94 4.340 4.278 0.062 1
1 1201 . 13 1 1 A 94 94 MET C C 94 175.550 176.024 -0.474 1
1 1202 . 13 1 1 A 94 94 MET CA C 94 55.120 54.704 0.416 1
1 1203 . 13 1 1 A 94 94 MET CB C 94 32.630 33.474 -0.844 1
1 1205 . 13 1 1 A 94 94 MET N N 94 118.250 118.043 0.207 1
1 1206 . 13 1 1 A 95 95 LYS H H 95 7.950 8.325 -0.375 1
1 1207 . 13 1 1 A 95 95 LYS HA H 95 4.260 4.120 0.140 1
1 1210 . 13 1 1 A 95 95 LYS C C 95 176.130 176.124 0.006 1
1 1211 . 13 1 1 A 95 95 LYS CA C 95 56.150 56.330 -0.180 1
1 1212 . 13 1 1 A 95 95 LYS CB C 95 33.010 32.663 0.347 1
1 1213 . 13 1 1 A 95 95 LYS N N 95 121.650 121.833 -0.183 1
1 1214 . 13 1 1 A 96 96 LYS H H 96 8.260 8.374 -0.114 1
1 1215 . 13 1 1 A 96 96 LYS N N 96 123.570 120.583 2.987 1
1 1216 . 13 1 1 A 97 97 PRO HA H 97 4.530 4.472 0.058 1
1 1219 . 13 1 1 A 97 97 PRO C C 97 176.830 176.829 0.001 1
1 1220 . 13 1 1 A 97 97 PRO CA C 97 63.180 63.964 -0.784 1
1 1221 . 13 1 1 A 97 97 PRO CB C 97 32.050 32.031 0.019 1
1 88 . 14 1 1 A 9 9 PRO HA H 9 4.410 4.375 0.035 1
1 95 . 14 1 1 A 9 9 PRO C C 9 176.460 176.528 -0.068 1
1 96 . 14 1 1 A 9 9 PRO CA C 9 63.030 62.238 0.792 1
1 97 . 14 1 1 A 9 9 PRO CB C 9 32.210 31.790 0.420 1
1 100 . 14 1 1 A 10 10 LEU H H 10 9.190 8.404 0.786 1
1 101 . 14 1 1 A 10 10 LEU HA H 10 4.640 4.512 0.128 1
1 111 . 14 1 1 A 10 10 LEU C C 10 176.620 177.050 -0.430 1
1 112 . 14 1 1 A 10 10 LEU CA C 10 53.420 54.315 -0.895 1
1 113 . 14 1 1 A 10 10 LEU CB C 10 44.290 42.557 1.733 1
1 117 . 14 1 1 A 10 10 LEU N N 10 123.060 122.609 0.451 1
1 118 . 14 1 1 A 11 11 GLU H H 11 8.720 8.454 0.266 1
1 119 . 14 1 1 A 11 11 GLU HA H 11 4.490 5.046 -0.556 1
1 124 . 14 1 1 A 11 11 GLU C C 11 176.620 175.796 0.824 1
1 125 . 14 1 1 A 11 11 GLU CA C 11 57.060 55.158 1.902 1
1 126 . 14 1 1 A 11 11 GLU CB C 11 30.820 31.945 -1.125 1
1 128 . 14 1 1 A 11 11 GLU N N 11 121.330 119.855 1.475 1
1 129 . 14 1 1 A 12 12 ALA H H 12 8.760 8.548 0.212 1
1 130 . 14 1 1 A 12 12 ALA HA H 12 5.390 5.384 0.006 1
1 134 . 14 1 1 A 12 12 ALA C C 12 176.040 174.959 1.081 1
1 135 . 14 1 1 A 12 12 ALA CA C 12 50.350 51.434 -1.084 1
1 136 . 14 1 1 A 12 12 ALA CB C 12 24.490 23.487 1.003 1
1 137 . 14 1 1 A 12 12 ALA N N 12 127.010 122.892 4.118 1
1 138 . 14 1 1 A 13 13 GLU H H 13 8.850 9.327 -0.477 1
1 139 . 14 1 1 A 13 13 GLU HA H 13 5.240 5.463 -0.223 1
1 144 . 14 1 1 A 13 13 GLU C C 13 175.320 175.101 0.219 1
1 145 . 14 1 1 A 13 13 GLU CA C 13 55.580 54.943 0.637 1
1 146 . 14 1 1 A 13 13 GLU CB C 13 34.410 32.854 1.556 1
1 148 . 14 1 1 A 13 13 GLU N N 13 119.980 121.585 -1.605 1
1 149 . 14 1 1 A 14 14 ILE H H 14 8.420 9.141 -0.721 1
1 150 . 14 1 1 A 14 14 ILE HA H 14 4.210 4.704 -0.494 1
1 160 . 14 1 1 A 14 14 ILE C C 14 174.520 176.003 -1.483 1
1 161 . 14 1 1 A 14 14 ILE CA C 14 61.000 60.105 0.895 1
1 162 . 14 1 1 A 14 14 ILE CB C 14 40.430 39.676 0.754 1
1 166 . 14 1 1 A 14 14 ILE N N 14 123.990 127.314 -3.324 1
1 167 . 14 1 1 A 15 15 LYS H H 15 9.590 9.247 0.343 1
1 168 . 14 1 1 A 15 15 LYS HA H 15 3.880 4.063 -0.183 1
1 177 . 14 1 1 A 15 15 LYS C C 15 176.880 176.686 0.194 1
1 178 . 14 1 1 A 15 15 LYS CA C 15 57.890 57.557 0.333 1
1 179 . 14 1 1 A 15 15 LYS CB C 15 30.550 30.362 0.188 1
1 183 . 14 1 1 A 15 15 LYS N N 15 124.930 128.687 -3.757 1
1 184 . 14 1 1 A 16 16 GLY H H 16 8.730 8.469 0.261 1
1 185 . 14 1 1 A 16 16 GLY HA2 H 16 3.670 3.905 -0.235 1
1 186 . 14 1 1 A 16 16 GLY HA3 H 16 4.230 3.906 0.324 1
1 187 . 14 1 1 A 16 16 GLY C C 16 174.360 174.073 0.287 1
1 188 . 14 1 1 A 16 16 GLY CA C 16 45.540 45.291 0.249 1
1 189 . 14 1 1 A 16 16 GLY N N 16 104.580 105.875 -1.295 1
1 190 . 14 1 1 A 17 17 THR H H 17 8.400 7.966 0.434 1
1 191 . 14 1 1 A 17 17 THR HA H 17 4.490 4.267 0.223 1
1 196 . 14 1 1 A 17 17 THR C C 17 172.970 173.944 -0.974 1
1 197 . 14 1 1 A 17 17 THR CA C 17 62.580 63.489 -0.909 1
1 198 . 14 1 1 A 17 17 THR CB C 17 70.320 69.317 1.003 1
1 200 . 14 1 1 A 17 17 THR N N 17 120.070 116.482 3.588 1
1 201 . 14 1 1 A 18 18 LYS H H 18 8.750 8.665 0.085 1
1 202 . 14 1 1 A 18 18 LYS HA H 18 4.920 4.758 0.162 1
1 211 . 14 1 1 A 18 18 LYS C C 18 175.860 176.249 -0.389 1
1 212 . 14 1 1 A 18 18 LYS CA C 18 56.350 56.492 -0.142 1
1 213 . 14 1 1 A 18 18 LYS CB C 18 32.940 33.073 -0.133 1
1 217 . 14 1 1 A 18 18 LYS N N 18 127.270 127.545 -0.275 1
1 218 . 14 1 1 A 19 19 LEU H H 19 8.750 9.219 -0.469 1
1 219 . 14 1 1 A 19 19 LEU HA H 19 4.850 5.038 -0.188 1
1 229 . 14 1 1 A 19 19 LEU C C 19 174.210 176.013 -1.803 1
1 230 . 14 1 1 A 19 19 LEU CA C 19 55.160 53.374 1.786 1
1 231 . 14 1 1 A 19 19 LEU CB C 19 43.340 46.118 -2.778 1
1 235 . 14 1 1 A 19 19 LEU N N 19 123.470 123.994 -0.524 1
1 236 . 14 1 1 A 20 20 LYS H H 20 8.660 8.358 0.302 1
1 237 . 14 1 1 A 20 20 LYS HA H 20 5.180 4.590 0.590 1
1 246 . 14 1 1 A 20 20 LYS C C 20 175.650 175.604 0.046 1
1 247 . 14 1 1 A 20 20 LYS CA C 20 54.630 55.936 -1.306 1
1 248 . 14 1 1 A 20 20 LYS CB C 20 34.710 33.752 0.958 1
1 252 . 14 1 1 A 20 20 LYS N N 20 118.320 121.289 -2.969 1
1 253 . 14 1 1 A 21 21 ALA H H 21 8.860 8.739 0.121 1
1 254 . 14 1 1 A 21 21 ALA HA H 21 5.470 5.270 0.200 1
1 258 . 14 1 1 A 21 21 ALA C C 21 174.740 175.566 -0.826 1
1 259 . 14 1 1 A 21 21 ALA CA C 21 49.510 50.499 -0.989 1
1 260 . 14 1 1 A 21 21 ALA CB C 21 22.990 24.377 -1.387 1
1 261 . 14 1 1 A 21 21 ALA N N 21 120.460 123.120 -2.660 1
1 262 . 14 1 1 A 22 22 HIS H H 22 9.140 8.702 0.438 1
1 263 . 14 1 1 A 22 22 HIS HA H 22 5.070 5.172 -0.102 1
1 268 . 14 1 1 A 22 22 HIS C C 22 174.310 173.850 0.460 1
1 269 . 14 1 1 A 22 22 HIS CA C 22 54.040 53.815 0.225 1
1 270 . 14 1 1 A 22 22 HIS CB C 22 32.390 33.482 -1.092 1
1 272 . 14 1 1 A 22 22 HIS N N 22 119.890 115.055 4.835 1
1 273 . 14 1 1 A 23 23 TRP H H 23 9.160 9.125 0.035 1
1 274 . 14 1 1 A 23 23 TRP HA H 23 4.360 5.014 -0.654 1
1 283 . 14 1 1 A 23 23 TRP C C 23 175.070 174.576 0.494 1
1 284 . 14 1 1 A 23 23 TRP CA C 23 59.160 56.129 3.031 1
1 285 . 14 1 1 A 23 23 TRP CB C 23 30.710 31.064 -0.354 1
1 291 . 14 1 1 A 23 23 TRP N N 23 126.610 125.512 1.098 1
1 293 . 14 1 1 A 24 24 ASP H H 24 7.720 7.901 -0.181 1
1 294 . 14 1 1 A 24 24 ASP HA H 24 4.880 4.859 0.021 1
1 297 . 14 1 1 A 24 24 ASP C C 24 175.340 175.705 -0.365 1
1 298 . 14 1 1 A 24 24 ASP CA C 24 53.030 52.336 0.694 1
1 299 . 14 1 1 A 24 24 ASP CB C 24 43.510 42.135 1.375 1
1 300 . 14 1 1 A 24 24 ASP N N 24 126.750 128.526 -1.776 1
1 301 . 14 1 1 A 25 25 SER H H 25 8.490 8.492 -0.002 1
1 302 . 14 1 1 A 25 25 SER HA H 25 3.580 3.477 0.103 1
1 305 . 14 1 1 A 25 25 SER C C 25 175.340 176.635 -1.295 1
1 306 . 14 1 1 A 25 25 SER CA C 25 60.640 60.989 -0.349 1
1 307 . 14 1 1 A 25 25 SER CB C 25 62.990 62.456 0.534 1
1 308 . 14 1 1 A 25 25 SER N N 25 119.220 119.563 -0.343 1
1 309 . 14 1 1 A 26 26 GLY H H 26 8.670 8.149 0.521 1
1 310 . 14 1 1 A 26 26 GLY HA2 H 26 3.630 3.813 -0.183 1
1 311 . 14 1 1 A 26 26 GLY HA3 H 26 4.200 3.818 0.382 1
1 312 . 14 1 1 A 26 26 GLY C C 26 174.190 174.709 -0.519 1
1 313 . 14 1 1 A 26 26 GLY CA C 26 44.760 46.880 -2.120 1
1 314 . 14 1 1 A 26 26 GLY N N 26 109.290 109.359 -0.069 1
1 315 . 14 1 1 A 27 27 ALA H H 27 7.550 7.313 0.237 1
1 316 . 14 1 1 A 27 27 ALA HA H 27 4.370 4.215 0.155 1
1 320 . 14 1 1 A 27 27 ALA C C 27 178.430 177.251 1.179 1
1 321 . 14 1 1 A 27 27 ALA CA C 27 52.240 52.444 -0.204 1
1 322 . 14 1 1 A 27 27 ALA CB C 27 18.240 19.133 -0.893 1
1 323 . 14 1 1 A 27 27 ALA N N 27 124.840 122.875 1.965 1
1 324 . 14 1 1 A 28 28 THR H H 28 8.260 8.942 -0.682 1
1 325 . 14 1 1 A 28 28 THR HA H 28 4.230 4.482 -0.252 1
1 330 . 14 1 1 A 28 28 THR C C 28 173.830 174.578 -0.748 1
1 331 . 14 1 1 A 28 28 THR CA C 28 62.180 62.312 -0.132 1
1 332 . 14 1 1 A 28 28 THR CB C 28 69.240 70.092 -0.852 1
1 333 . 14 1 1 A 28 28 THR N N 28 112.480 116.816 -4.336 1
1 334 . 14 1 1 A 29 29 ILE H H 29 7.460 7.574 -0.114 1
1 335 . 14 1 1 A 29 29 ILE HA H 29 4.540 4.657 -0.117 1
1 345 . 14 1 1 A 29 29 ILE C C 29 173.440 174.020 -0.580 1
1 346 . 14 1 1 A 29 29 ILE CA C 29 60.540 59.325 1.215 1
1 347 . 14 1 1 A 29 29 ILE CB C 29 40.780 42.085 -1.305 1
1 351 . 14 1 1 A 29 29 ILE N N 29 118.820 120.692 -1.872 1
1 352 . 14 1 1 A 30 30 THR H H 30 9.380 8.704 0.676 1
1 353 . 14 1 1 A 30 30 THR HA H 30 4.870 4.450 0.420 1
1 358 . 14 1 1 A 30 30 THR C C 30 173.600 173.890 -0.290 1
1 359 . 14 1 1 A 30 30 THR CA C 30 64.280 62.735 1.545 1
1 360 . 14 1 1 A 30 30 THR CB C 30 69.840 69.326 0.514 1
1 361 . 14 1 1 A 30 30 THR N N 30 129.290 121.036 8.254 1
1 362 . 14 1 1 A 31 31 CYS H H 31 9.180 8.690 0.490 1
1 363 . 14 1 1 A 31 31 CYS HA H 31 5.530 5.198 0.332 1
1 366 . 14 1 1 A 31 31 CYS C C 31 174.420 173.437 0.983 1
1 367 . 14 1 1 A 31 31 CYS CA C 31 56.540 56.924 -0.384 1
1 368 . 14 1 1 A 31 31 CYS CB C 31 30.780 30.651 0.129 1
1 369 . 14 1 1 A 31 31 CYS N N 31 122.220 125.727 -3.507 1
1 370 . 14 1 1 A 32 32 VAL H H 32 9.090 9.095 -0.005 1
1 371 . 14 1 1 A 32 32 VAL HA H 32 4.710 4.742 -0.032 1
1 379 . 14 1 1 A 32 32 VAL CA C 32 57.300 57.803 -0.503 1
1 380 . 14 1 1 A 32 32 VAL CB C 32 32.860 33.677 -0.817 1
1 383 . 14 1 1 A 32 32 VAL N N 32 117.890 120.110 -2.220 1
1 384 . 14 1 1 A 33 33 PRO HA H 33 4.530 5.225 -0.695 1
1 391 . 14 1 1 A 33 33 PRO C C 33 178.110 178.060 0.050 1
1 392 . 14 1 1 A 33 33 PRO CA C 33 64.140 62.531 1.609 1
1 393 . 14 1 1 A 33 33 PRO CB C 33 32.200 31.914 0.286 1
1 396 . 14 1 1 A 34 34 GLU H H 34 8.380 8.277 0.103 1
1 397 . 14 1 1 A 34 34 GLU HA H 34 3.730 3.862 -0.132 1
1 402 . 14 1 1 A 34 34 GLU C C 34 177.830 178.840 -1.010 1
1 403 . 14 1 1 A 34 34 GLU CA C 34 59.480 59.819 -0.339 1
1 404 . 14 1 1 A 34 34 GLU CB C 34 29.860 29.305 0.555 1
1 406 . 14 1 1 A 34 34 GLU N N 34 122.200 123.260 -1.060 1
1 407 . 14 1 1 A 35 35 ALA H H 35 9.050 8.100 0.950 1
1 408 . 14 1 1 A 35 35 ALA HA H 35 4.030 4.094 -0.064 1
1 412 . 14 1 1 A 35 35 ALA C C 35 180.250 179.401 0.849 1
1 413 . 14 1 1 A 35 35 ALA CA C 35 54.850 54.900 -0.050 1
1 414 . 14 1 1 A 35 35 ALA CB C 35 18.160 18.190 -0.030 1
1 415 . 14 1 1 A 35 35 ALA N N 35 123.090 121.422 1.668 1
1 416 . 14 1 1 A 36 36 PHE H H 36 7.510 8.392 -0.882 1
1 417 . 14 1 1 A 36 36 PHE HA H 36 4.370 4.504 -0.134 1
1 425 . 14 1 1 A 36 36 PHE C C 36 174.870 176.895 -2.025 1
1 426 . 14 1 1 A 36 36 PHE CA C 36 60.160 59.868 0.292 1
1 427 . 14 1 1 A 36 36 PHE CB C 36 38.930 38.484 0.446 1
1 433 . 14 1 1 A 36 36 PHE N N 36 112.030 115.111 -3.081 1
1 434 . 14 1 1 A 37 37 LEU H H 37 7.640 7.838 -0.198 1
1 435 . 14 1 1 A 37 37 LEU HA H 37 4.230 4.527 -0.297 1
1 445 . 14 1 1 A 37 37 LEU C C 37 177.380 177.007 0.373 1
1 446 . 14 1 1 A 37 37 LEU CA C 37 53.080 54.489 -1.409 1
1 447 . 14 1 1 A 37 37 LEU CB C 37 41.050 41.516 -0.466 1
1 451 . 14 1 1 A 37 37 LEU N N 37 116.800 118.701 -1.901 1
1 452 . 14 1 1 A 38 38 GLU H H 38 7.050 8.081 -1.031 1
1 453 . 14 1 1 A 38 38 GLU HA H 38 3.980 3.844 0.136 1
1 458 . 14 1 1 A 38 38 GLU C C 38 176.630 177.546 -0.916 1
1 459 . 14 1 1 A 38 38 GLU CA C 38 59.250 60.136 -0.886 1
1 460 . 14 1 1 A 38 38 GLU CB C 38 29.870 29.287 0.583 1
1 462 . 14 1 1 A 38 38 GLU N N 38 121.260 121.753 -0.493 1
1 463 . 14 1 1 A 39 39 ASP H H 39 8.690 8.228 0.462 1
1 464 . 14 1 1 A 39 39 ASP HA H 39 4.700 4.681 0.019 1
1 467 . 14 1 1 A 39 39 ASP C C 39 175.570 176.200 -0.630 1
1 468 . 14 1 1 A 39 39 ASP CA C 39 53.760 53.031 0.729 1
1 469 . 14 1 1 A 39 39 ASP CB C 39 40.010 39.916 0.094 1
1 470 . 14 1 1 A 39 39 ASP N N 39 115.590 115.651 -0.061 1
1 471 . 14 1 1 A 40 40 GLU H H 40 7.460 8.007 -0.547 1
1 472 . 14 1 1 A 40 40 GLU HA H 40 4.720 4.367 0.353 1
1 477 . 14 1 1 A 40 40 GLU C C 40 175.660 176.766 -1.106 1
1 478 . 14 1 1 A 40 40 GLU CA C 40 54.240 56.906 -2.666 1
1 479 . 14 1 1 A 40 40 GLU CB C 40 31.240 29.878 1.362 1
1 481 . 14 1 1 A 40 40 GLU N N 40 118.210 119.059 -0.849 1
1 482 . 14 1 1 A 41 41 ARG H H 41 9.130 8.776 0.354 1
1 483 . 14 1 1 A 41 41 ARG HA H 41 5.080 5.013 0.067 1
1 490 . 14 1 1 A 41 41 ARG CA C 41 52.540 53.497 -0.957 1
1 491 . 14 1 1 A 41 41 ARG CB C 41 31.240 31.078 0.162 1
1 494 . 14 1 1 A 41 41 ARG N N 41 121.830 124.536 -2.706 1
1 495 . 14 1 1 A 42 42 PRO HA H 42 3.840 4.485 -0.645 1
1 502 . 14 1 1 A 42 42 PRO C C 42 177.180 177.031 0.149 1
1 503 . 14 1 1 A 42 42 PRO CA C 42 63.010 62.398 0.612 1
1 504 . 14 1 1 A 42 42 PRO CB C 42 32.490 31.529 0.961 1
1 507 . 14 1 1 A 43 43 ILE H H 43 9.110 8.061 1.049 1
1 508 . 14 1 1 A 43 43 ILE HA H 43 4.410 4.265 0.145 1
1 518 . 14 1 1 A 43 43 ILE C C 43 176.220 176.204 0.016 1
1 519 . 14 1 1 A 43 43 ILE CA C 43 61.480 61.510 -0.030 1
1 520 . 14 1 1 A 43 43 ILE CB C 43 39.510 38.806 0.704 1
1 524 . 14 1 1 A 43 43 ILE N N 43 115.610 118.183 -2.573 1
1 525 . 14 1 1 A 44 44 GLN H H 44 7.750 7.043 0.707 1
1 526 . 14 1 1 A 44 44 GLN HA H 44 4.610 4.772 -0.162 1
1 533 . 14 1 1 A 44 44 GLN C C 44 173.610 174.452 -0.842 1
1 534 . 14 1 1 A 44 44 GLN CA C 44 55.140 53.879 1.261 1
1 535 . 14 1 1 A 44 44 GLN CB C 44 31.460 32.877 -1.417 1
1 537 . 14 1 1 A 44 44 GLN N N 44 118.360 120.249 -1.889 1
1 539 . 14 1 1 A 45 45 THR H H 45 8.560 8.744 -0.184 1
1 540 . 14 1 1 A 45 45 THR HA H 45 5.140 5.041 0.099 1
1 545 . 14 1 1 A 45 45 THR C C 45 177.830 173.489 4.341 1
1 546 . 14 1 1 A 45 45 THR CA C 45 61.450 59.961 1.489 1
1 547 . 14 1 1 A 45 45 THR CB C 45 71.380 71.842 -0.462 1
1 549 . 14 1 1 A 45 45 THR N N 45 115.470 112.546 2.924 1
1 550 . 14 1 1 A 46 46 MET H H 46 9.100 9.042 0.058 1
1 551 . 14 1 1 A 46 46 MET HA H 46 4.730 4.980 -0.250 1
1 556 . 14 1 1 A 46 46 MET C C 46 173.520 174.369 -0.849 1
1 557 . 14 1 1 A 46 46 MET CA C 46 54.560 54.489 0.071 1
1 558 . 14 1 1 A 46 46 MET CB C 46 36.500 37.198 -0.698 1
1 560 . 14 1 1 A 46 46 MET N N 46 123.160 120.987 2.173 1
1 561 . 14 1 1 A 47 47 LEU H H 47 8.490 8.764 -0.274 1
1 562 . 14 1 1 A 47 47 LEU HA H 47 4.730 5.086 -0.356 1
1 572 . 14 1 1 A 47 47 LEU C C 47 176.210 176.174 0.036 1
1 573 . 14 1 1 A 47 47 LEU CA C 47 54.440 53.582 0.858 1
1 574 . 14 1 1 A 47 47 LEU CB C 47 42.540 43.600 -1.060 1
1 578 . 14 1 1 A 47 47 LEU N N 47 124.300 122.202 2.098 1
1 579 . 14 1 1 A 48 48 ILE H H 48 8.990 9.006 -0.016 1
1 580 . 14 1 1 A 48 48 ILE HA H 48 4.430 4.973 -0.543 1
1 590 . 14 1 1 A 48 48 ILE C C 48 175.040 174.347 0.693 1
1 591 . 14 1 1 A 48 48 ILE CA C 48 59.150 59.674 -0.524 1
1 592 . 14 1 1 A 48 48 ILE CB C 48 39.910 41.006 -1.096 1
1 596 . 14 1 1 A 48 48 ILE N N 48 125.760 123.279 2.481 1
1 597 . 14 1 1 A 49 49 LYS H H 49 8.710 9.062 -0.352 1
1 598 . 14 1 1 A 49 49 LYS HA H 49 4.550 5.271 -0.721 1
1 607 . 14 1 1 A 49 49 LYS C C 49 176.060 174.946 1.114 1
1 608 . 14 1 1 A 49 49 LYS CA C 49 56.570 54.554 2.016 1
1 609 . 14 1 1 A 49 49 LYS CB C 49 33.010 36.089 -3.079 1
1 613 . 14 1 1 A 49 49 LYS N N 49 126.480 128.788 -2.308 1
1 614 . 14 1 1 A 50 50 THR H H 50 8.150 9.194 -1.044 1
1 615 . 14 1 1 A 50 50 THR HA H 50 4.860 5.068 -0.208 1
1 620 . 14 1 1 A 50 50 THR CA C 50 60.030 59.038 0.992 1
1 621 . 14 1 1 A 50 50 THR CB C 50 72.820 72.117 0.703 1
1 623 . 14 1 1 A 50 50 THR N N 50 116.220 117.041 -0.821 1
1 624 . 14 1 1 A 51 51 ILE HA H 51 4.400 3.824 0.576 1
1 634 . 14 1 1 A 51 51 ILE C C 51 176.140 177.498 -1.358 1
1 635 . 14 1 1 A 51 51 ILE CA C 51 63.450 64.720 -1.270 1
1 636 . 14 1 1 A 51 51 ILE CB C 51 37.970 37.696 0.274 1
1 640 . 14 1 1 A 52 52 HIS H H 52 7.820 7.805 0.015 1
1 641 . 14 1 1 A 52 52 HIS HA H 52 4.830 4.293 0.537 1
1 644 . 14 1 1 A 52 52 HIS C C 52 175.190 175.215 -0.025 1
1 645 . 14 1 1 A 52 52 HIS CA C 52 55.670 58.548 -2.878 1
1 646 . 14 1 1 A 52 52 HIS CB C 52 31.260 29.798 1.462 1
1 647 . 14 1 1 A 52 52 HIS N N 52 118.280 118.660 -0.380 1
1 648 . 14 1 1 A 53 53 GLY H H 53 7.590 7.170 0.420 1
1 649 . 14 1 1 A 53 53 GLY HA2 H 53 3.880 3.997 -0.117 1
1 650 . 14 1 1 A 53 53 GLY HA3 H 53 4.510 4.011 0.499 1
1 651 . 14 1 1 A 53 53 GLY C C 53 173.360 171.416 1.944 1
1 652 . 14 1 1 A 53 53 GLY CA C 53 44.510 45.762 -1.252 1
1 653 . 14 1 1 A 53 53 GLY N N 53 108.490 103.711 4.779 1
1 654 . 14 1 1 A 54 54 GLU H H 54 8.710 8.488 0.222 1
1 655 . 14 1 1 A 54 54 GLU HA H 54 5.050 5.105 -0.055 1
1 660 . 14 1 1 A 54 54 GLU C C 54 175.890 175.115 0.775 1
1 661 . 14 1 1 A 54 54 GLU CA C 54 55.980 55.182 0.798 1
1 662 . 14 1 1 A 54 54 GLU CB C 54 31.610 32.717 -1.107 1
1 664 . 14 1 1 A 54 54 GLU N N 54 121.850 120.902 0.948 1
1 665 . 14 1 1 A 55 55 LYS H H 55 8.930 9.081 -0.151 1
1 666 . 14 1 1 A 55 55 LYS HA H 55 4.670 5.190 -0.520 1
1 675 . 14 1 1 A 55 55 LYS C C 55 174.630 175.060 -0.430 1
1 676 . 14 1 1 A 55 55 LYS CA C 55 54.750 54.840 -0.090 1
1 677 . 14 1 1 A 55 55 LYS CB C 55 35.910 36.549 -0.639 1
1 681 . 14 1 1 A 55 55 LYS N N 55 123.380 125.652 -2.272 1
1 682 . 14 1 1 A 56 56 GLN H H 56 8.670 8.407 0.263 1
1 683 . 14 1 1 A 56 56 GLN HA H 56 4.820 5.138 -0.318 1
1 688 . 14 1 1 A 56 56 GLN C C 56 175.780 174.895 0.885 1
1 689 . 14 1 1 A 56 56 GLN CA C 56 55.500 54.389 1.111 1
1 690 . 14 1 1 A 56 56 GLN CB C 56 29.470 31.943 -2.473 1
1 692 . 14 1 1 A 56 56 GLN N N 56 122.950 121.630 1.320 1
1 693 . 14 1 1 A 57 57 GLN H H 57 9.210 8.560 0.650 1
1 694 . 14 1 1 A 57 57 GLN HA H 57 4.740 5.097 -0.357 1
1 701 . 14 1 1 A 57 57 GLN C C 57 174.100 174.144 -0.044 1
1 702 . 14 1 1 A 57 57 GLN CA C 57 54.760 54.368 0.392 1
1 703 . 14 1 1 A 57 57 GLN CB C 57 32.670 33.125 -0.455 1
1 705 . 14 1 1 A 57 57 GLN N N 57 125.030 121.916 3.114 1
1 707 . 14 1 1 A 58 58 ASP H H 58 8.570 8.793 -0.223 1
1 708 . 14 1 1 A 58 58 ASP HA H 58 4.860 5.314 -0.454 1
1 711 . 14 1 1 A 58 58 ASP C C 58 173.690 175.086 -1.396 1
1 712 . 14 1 1 A 58 58 ASP CA C 58 55.090 52.612 2.478 1
1 713 . 14 1 1 A 58 58 ASP CB C 58 42.120 43.355 -1.235 1
1 714 . 14 1 1 A 58 58 ASP N N 58 124.680 120.959 3.721 1
1 715 . 14 1 1 A 59 59 VAL H H 59 8.480 8.361 0.119 1
1 716 . 14 1 1 A 59 59 VAL HA H 59 4.610 4.762 -0.152 1
1 724 . 14 1 1 A 59 59 VAL C C 59 174.600 174.648 -0.048 1
1 725 . 14 1 1 A 59 59 VAL CA C 59 61.130 61.380 -0.250 1
1 726 . 14 1 1 A 59 59 VAL CB C 59 34.250 33.155 1.095 1
1 729 . 14 1 1 A 59 59 VAL N N 59 121.270 120.586 0.684 1
1 730 . 14 1 1 A 60 60 TYR H H 60 9.390 9.292 0.098 1
1 731 . 14 1 1 A 60 60 TYR HA H 60 4.800 5.153 -0.353 1
1 738 . 14 1 1 A 60 60 TYR C C 60 173.840 174.111 -0.271 1
1 739 . 14 1 1 A 60 60 TYR CA C 60 56.840 56.390 0.450 1
1 740 . 14 1 1 A 60 60 TYR CB C 60 41.190 41.849 -0.659 1
1 745 . 14 1 1 A 60 60 TYR N N 60 125.760 126.775 -1.015 1
1 746 . 14 1 1 A 61 61 TYR H H 61 9.300 8.544 0.756 1
1 747 . 14 1 1 A 61 61 TYR HA H 61 5.370 5.363 0.007 1
1 754 . 14 1 1 A 61 61 TYR C C 61 174.300 174.172 0.128 1
1 755 . 14 1 1 A 61 61 TYR CA C 61 57.490 56.707 0.783 1
1 756 . 14 1 1 A 61 61 TYR CB C 61 40.900 40.753 0.147 1
1 761 . 14 1 1 A 61 61 TYR N N 61 122.890 124.163 -1.273 1
1 762 . 14 1 1 A 62 62 LEU H H 62 8.770 8.771 -0.001 1
1 763 . 14 1 1 A 62 62 LEU HA H 62 4.780 5.105 -0.325 1
1 773 . 14 1 1 A 62 62 LEU C C 62 174.070 175.896 -1.826 1
1 774 . 14 1 1 A 62 62 LEU CA C 62 53.760 53.307 0.453 1
1 775 . 14 1 1 A 62 62 LEU CB C 62 49.020 45.741 3.279 1
1 779 . 14 1 1 A 62 62 LEU N N 62 129.700 129.006 0.694 1
1 780 . 14 1 1 A 63 63 THR H H 63 7.960 8.808 -0.848 1
1 781 . 14 1 1 A 63 63 THR HA H 63 5.410 5.014 0.396 1
1 786 . 14 1 1 A 63 63 THR C C 63 173.860 174.096 -0.236 1
1 787 . 14 1 1 A 63 63 THR CA C 63 60.850 61.188 -0.338 1
1 788 . 14 1 1 A 63 63 THR CB C 63 69.790 70.678 -0.888 1
1 790 . 14 1 1 A 63 63 THR N N 63 118.460 115.887 2.573 1
1 791 . 14 1 1 A 64 64 PHE H H 64 9.270 8.439 0.831 1
1 792 . 14 1 1 A 64 64 PHE HA H 64 5.100 5.968 -0.868 1
1 800 . 14 1 1 A 64 64 PHE C C 64 172.280 172.537 -0.257 1
1 801 . 14 1 1 A 64 64 PHE CA C 64 56.020 55.175 0.845 1
1 802 . 14 1 1 A 64 64 PHE CB C 64 38.350 42.408 -4.058 1
1 808 . 14 1 1 A 64 64 PHE N N 64 123.960 123.110 0.850 1
1 809 . 14 1 1 A 65 65 LYS H H 65 8.750 9.091 -0.341 1
1 810 . 14 1 1 A 65 65 LYS HA H 65 5.500 5.007 0.493 1
1 819 . 14 1 1 A 65 65 LYS C C 65 176.300 175.528 0.772 1
1 820 . 14 1 1 A 65 65 LYS CA C 65 54.900 55.725 -0.825 1
1 821 . 14 1 1 A 65 65 LYS CB C 65 37.730 33.965 3.765 1
1 825 . 14 1 1 A 65 65 LYS N N 65 117.930 119.829 -1.899 1
1 826 . 14 1 1 A 66 66 VAL H H 66 8.840 9.292 -0.452 1
1 827 . 14 1 1 A 66 66 VAL HA H 66 4.520 4.624 -0.104 1
1 835 . 14 1 1 A 66 66 VAL C C 66 175.550 175.942 -0.392 1
1 836 . 14 1 1 A 66 66 VAL CA C 66 62.130 61.290 0.840 1
1 837 . 14 1 1 A 66 66 VAL CB C 66 35.100 32.374 2.726 1
1 840 . 14 1 1 A 66 66 VAL N N 66 119.330 125.101 -5.771 1
1 841 . 14 1 1 A 67 67 GLN H H 67 9.690 9.306 0.384 1
1 842 . 14 1 1 A 67 67 GLN HA H 67 4.050 4.092 -0.042 1
1 849 . 14 1 1 A 67 67 GLN C C 67 176.300 176.286 0.014 1
1 850 . 14 1 1 A 67 67 GLN CA C 67 56.720 57.230 -0.510 1
1 851 . 14 1 1 A 67 67 GLN CB C 67 28.230 26.857 1.373 1
1 853 . 14 1 1 A 67 67 GLN N N 67 125.930 128.833 -2.903 1
1 855 . 14 1 1 A 68 68 GLY H H 68 8.980 8.728 0.252 1
1 856 . 14 1 1 A 68 68 GLY HA2 H 68 3.510 3.841 -0.331 1
1 857 . 14 1 1 A 68 68 GLY HA3 H 68 4.140 3.850 0.290 1
1 858 . 14 1 1 A 68 68 GLY C C 68 173.410 173.864 -0.454 1
1 859 . 14 1 1 A 68 68 GLY CA C 68 45.460 45.786 -0.326 1
1 860 . 14 1 1 A 68 68 GLY N N 68 103.510 104.294 -0.784 1
1 861 . 14 1 1 A 69 69 ARG H H 69 8.070 7.869 0.201 1
1 862 . 14 1 1 A 69 69 ARG HA H 69 4.400 4.509 -0.109 1
1 869 . 14 1 1 A 69 69 ARG C C 69 174.880 174.939 -0.059 1
1 870 . 14 1 1 A 69 69 ARG CA C 69 54.730 54.460 0.270 1
1 871 . 14 1 1 A 69 69 ARG CB C 69 31.520 31.844 -0.324 1
1 874 . 14 1 1 A 69 69 ARG N N 69 122.680 119.963 2.717 1
1 875 . 14 1 1 A 70 70 LYS H H 70 8.390 8.696 -0.306 1
1 876 . 14 1 1 A 70 70 LYS HA H 70 4.220 4.285 -0.065 1
1 885 . 14 1 1 A 70 70 LYS C C 70 175.330 174.872 0.458 1
1 886 . 14 1 1 A 70 70 LYS CA C 70 57.860 56.869 0.991 1
1 887 . 14 1 1 A 70 70 LYS CB C 70 32.790 32.780 0.010 1
1 891 . 14 1 1 A 70 70 LYS N N 70 123.590 127.196 -3.606 1
1 892 . 14 1 1 A 71 71 VAL H H 71 9.050 8.575 0.475 1
1 893 . 14 1 1 A 71 71 VAL HA H 71 4.140 4.550 -0.410 1
1 901 . 14 1 1 A 71 71 VAL C C 71 173.310 174.186 -0.876 1
1 902 . 14 1 1 A 71 71 VAL CA C 71 61.370 60.599 0.771 1
1 903 . 14 1 1 A 71 71 VAL CB C 71 34.610 35.305 -0.695 1
1 906 . 14 1 1 A 71 71 VAL N N 71 128.340 126.729 1.611 1
1 907 . 14 1 1 A 72 72 GLU H H 72 8.150 8.652 -0.502 1
1 908 . 14 1 1 A 72 72 GLU HA H 72 4.970 4.969 0.001 1
1 913 . 14 1 1 A 72 72 GLU C C 72 174.910 175.539 -0.629 1
1 914 . 14 1 1 A 72 72 GLU CA C 72 54.490 54.926 -0.436 1
1 915 . 14 1 1 A 72 72 GLU CB C 72 31.410 32.325 -0.915 1
1 917 . 14 1 1 A 72 72 GLU N N 72 124.430 125.490 -1.060 1
1 918 . 14 1 1 A 73 73 ALA H H 73 8.420 8.039 0.381 1
1 919 . 14 1 1 A 73 73 ALA HA H 73 4.770 4.825 -0.055 1
1 923 . 14 1 1 A 73 73 ALA C C 73 175.140 176.005 -0.865 1
1 924 . 14 1 1 A 73 73 ALA CA C 73 51.050 50.914 0.136 1
1 925 . 14 1 1 A 73 73 ALA CB C 73 23.060 23.103 -0.043 1
1 926 . 14 1 1 A 73 73 ALA N N 73 124.790 122.824 1.966 1
1 927 . 14 1 1 A 74 74 GLU H H 74 8.520 8.541 -0.021 1
1 928 . 14 1 1 A 74 74 GLU HA H 74 5.260 5.324 -0.064 1
1 933 . 14 1 1 A 74 74 GLU C C 74 176.570 176.665 -0.095 1
1 934 . 14 1 1 A 74 74 GLU CA C 74 55.770 57.050 -1.280 1
1 935 . 14 1 1 A 74 74 GLU CB C 74 29.840 30.430 -0.590 1
1 937 . 14 1 1 A 74 74 GLU N N 74 120.480 118.872 1.608 1
1 938 . 14 1 1 A 75 75 VAL H H 75 9.240 9.931 -0.691 1
1 939 . 14 1 1 A 75 75 VAL HA H 75 5.730 5.404 0.326 1
1 947 . 14 1 1 A 75 75 VAL C C 75 174.700 173.616 1.084 1
1 948 . 14 1 1 A 75 75 VAL CA C 75 57.950 58.914 -0.964 1
1 949 . 14 1 1 A 75 75 VAL CB C 75 36.540 36.055 0.485 1
1 952 . 14 1 1 A 75 75 VAL N N 75 113.070 118.728 -5.658 1
1 953 . 14 1 1 A 76 76 LEU H H 76 8.420 8.536 -0.116 1
1 954 . 14 1 1 A 76 76 LEU HA H 76 5.110 5.315 -0.205 1
1 964 . 14 1 1 A 76 76 LEU C C 76 176.970 174.885 2.085 1
1 965 . 14 1 1 A 76 76 LEU CA C 76 52.370 53.031 -0.661 1
1 966 . 14 1 1 A 76 76 LEU CB C 76 45.230 46.535 -1.305 1
1 970 . 14 1 1 A 76 76 LEU N N 76 117.790 124.740 -6.950 1
1 971 . 14 1 1 A 77 77 ALA H H 77 8.930 8.602 0.328 1
1 972 . 14 1 1 A 77 77 ALA HA H 77 4.500 4.936 -0.436 1
1 976 . 14 1 1 A 77 77 ALA C C 77 177.950 176.740 1.210 1
1 977 . 14 1 1 A 77 77 ALA CA C 77 52.090 51.900 0.190 1
1 978 . 14 1 1 A 77 77 ALA CB C 77 20.280 19.514 0.766 1
1 979 . 14 1 1 A 77 77 ALA N N 77 122.210 128.317 -6.107 1
1 980 . 14 1 1 A 78 78 SER H H 78 8.380 8.851 -0.471 1
1 981 . 14 1 1 A 78 78 SER HA H 78 5.010 5.037 -0.027 1
1 984 . 14 1 1 A 78 78 SER CA C 78 54.230 55.160 -0.930 1
1 985 . 14 1 1 A 78 78 SER CB C 78 66.050 66.017 0.033 1
1 986 . 14 1 1 A 78 78 SER N N 78 117.830 117.168 0.662 1
1 987 . 14 1 1 A 79 79 PRO HA H 79 4.660 4.458 0.202 1
1 994 . 14 1 1 A 79 79 PRO C C 79 176.150 175.930 0.220 1
1 995 . 14 1 1 A 79 79 PRO CA C 79 62.860 63.400 -0.540 1
1 996 . 14 1 1 A 79 79 PRO CB C 79 31.230 31.518 -0.288 1
1 999 . 14 1 1 A 80 80 TYR H H 80 7.380 7.320 0.060 1
1 1000 . 14 1 1 A 80 80 TYR HA H 80 4.710 4.695 0.015 1
1 1007 . 14 1 1 A 80 80 TYR C C 80 175.550 175.173 0.377 1
1 1008 . 14 1 1 A 80 80 TYR CA C 80 56.150 57.626 -1.476 1
1 1009 . 14 1 1 A 80 80 TYR CB C 80 38.490 39.179 -0.689 1
1 1014 . 14 1 1 A 80 80 TYR N N 80 120.860 119.984 0.876 1
1 1015 . 14 1 1 A 81 81 ASP H H 81 8.290 9.472 -1.182 1
1 1016 . 14 1 1 A 81 81 ASP HA H 81 4.640 5.031 -0.391 1
1 1019 . 14 1 1 A 81 81 ASP C C 81 175.290 175.078 0.212 1
1 1020 . 14 1 1 A 81 81 ASP CA C 81 53.560 54.080 -0.520 1
1 1021 . 14 1 1 A 81 81 ASP CB C 81 40.650 41.831 -1.181 1
1 1022 . 14 1 1 A 81 81 ASP N N 81 115.600 120.579 -4.979 1
1 1023 . 14 1 1 A 82 82 TYR H H 82 6.680 7.602 -0.922 1
1 1024 . 14 1 1 A 82 82 TYR HA H 82 5.160 4.989 0.171 1
1 1031 . 14 1 1 A 82 82 TYR C C 82 173.930 172.788 1.142 1
1 1032 . 14 1 1 A 82 82 TYR CA C 82 53.190 55.927 -2.737 1
1 1033 . 14 1 1 A 82 82 TYR CB C 82 40.820 41.379 -0.559 1
1 1038 . 14 1 1 A 82 82 TYR N N 82 116.100 116.516 -0.416 1
1 1039 . 14 1 1 A 83 83 ILE H H 83 8.900 8.829 0.071 1
1 1040 . 14 1 1 A 83 83 ILE HA H 83 4.480 4.439 0.041 1
1 1050 . 14 1 1 A 83 83 ILE C C 83 175.160 174.808 0.352 1
1 1051 . 14 1 1 A 83 83 ILE CA C 83 60.940 59.977 0.963 1
1 1052 . 14 1 1 A 83 83 ILE CB C 83 40.980 40.905 0.075 1
1 1056 . 14 1 1 A 83 83 ILE N N 83 119.050 119.165 -0.115 1
1 1057 . 14 1 1 A 84 84 LEU H H 84 8.740 9.114 -0.374 1
1 1058 . 14 1 1 A 84 84 LEU HA H 84 5.140 4.697 0.443 1
1 1068 . 14 1 1 A 84 84 LEU C C 84 174.920 176.338 -1.418 1
1 1069 . 14 1 1 A 84 84 LEU CA C 84 53.800 54.365 -0.565 1
1 1070 . 14 1 1 A 84 84 LEU CB C 84 44.100 42.122 1.978 1
1 1074 . 14 1 1 A 84 84 LEU N N 84 130.660 128.148 2.512 1
1 1075 . 14 1 1 A 85 85 LEU H H 85 9.010 9.113 -0.103 1
1 1076 . 14 1 1 A 85 85 LEU HA H 85 4.470 4.820 -0.350 1
1 1086 . 14 1 1 A 85 85 LEU C C 85 174.660 175.537 -0.877 1
1 1087 . 14 1 1 A 85 85 LEU CA C 85 54.080 53.267 0.813 1
1 1088 . 14 1 1 A 85 85 LEU CB C 85 44.350 44.570 -0.220 1
1 1092 . 14 1 1 A 85 85 LEU N N 85 125.210 125.025 0.185 1
1 1093 . 14 1 1 A 86 86 ASN H H 86 8.370 8.588 -0.218 1
1 1094 . 14 1 1 A 86 86 ASN HA H 86 4.680 4.951 -0.271 1
1 1099 . 14 1 1 A 86 86 ASN CA C 86 49.780 49.815 -0.035 1
1 1100 . 14 1 1 A 86 86 ASN CB C 86 38.890 40.367 -1.477 1
1 1101 . 14 1 1 A 86 86 ASN N N 86 122.970 121.938 1.032 1
1 1103 . 14 1 1 A 87 87 PRO HA H 87 3.600 4.420 -0.820 1
1 1110 . 14 1 1 A 87 87 PRO C C 87 178.740 178.143 0.597 1
1 1111 . 14 1 1 A 87 87 PRO CA C 87 65.050 64.713 0.337 1
1 1112 . 14 1 1 A 87 87 PRO CB C 87 33.160 32.081 1.079 1
1 1115 . 14 1 1 A 88 88 SER H H 88 7.580 9.316 -1.736 1
1 1116 . 14 1 1 A 88 88 SER HA H 88 4.100 4.272 -0.172 1
1 1119 . 14 1 1 A 88 88 SER C C 88 175.480 176.469 -0.989 1
1 1120 . 14 1 1 A 88 88 SER CA C 88 60.730 61.002 -0.272 1
1 1121 . 14 1 1 A 88 88 SER CB C 88 62.870 63.330 -0.460 1
1 1122 . 14 1 1 A 88 88 SER N N 88 109.530 113.592 -4.062 1
1 1123 . 14 1 1 A 89 89 ASP H H 89 8.170 8.101 0.069 1
1 1124 . 14 1 1 A 89 89 ASP HA H 89 4.770 4.578 0.192 1
1 1127 . 14 1 1 A 89 89 ASP C C 89 175.730 176.869 -1.139 1
1 1128 . 14 1 1 A 89 89 ASP CA C 89 56.030 56.681 -0.651 1
1 1129 . 14 1 1 A 89 89 ASP CB C 89 41.380 41.337 0.043 1
1 1130 . 14 1 1 A 89 89 ASP N N 89 118.600 120.377 -1.777 1
1 1131 . 14 1 1 A 90 90 VAL H H 90 7.050 7.281 -0.231 1
1 1132 . 14 1 1 A 90 90 VAL HA H 90 4.050 3.086 0.964 1
1 1140 . 14 1 1 A 90 90 VAL CA C 90 56.960 58.421 -1.461 1
1 1141 . 14 1 1 A 90 90 VAL CB C 90 31.710 31.175 0.535 1
1 1144 . 14 1 1 A 90 90 VAL N N 90 109.580 112.705 -3.125 1
1 1145 . 14 1 1 A 91 91 PRO HA H 91 4.250 4.408 -0.158 1
1 1152 . 14 1 1 A 91 91 PRO C C 91 176.870 177.879 -1.009 1
1 1153 . 14 1 1 A 91 91 PRO CA C 91 65.190 64.504 0.686 1
1 1154 . 14 1 1 A 91 91 PRO CB C 91 31.470 31.871 -0.401 1
1 1157 . 14 1 1 A 92 92 TRP H H 92 6.720 7.870 -1.150 1
1 1158 . 14 1 1 A 92 92 TRP HA H 92 4.570 4.463 0.107 1
1 1167 . 14 1 1 A 92 92 TRP C C 92 176.630 178.192 -1.562 1
1 1168 . 14 1 1 A 92 92 TRP CA C 92 56.910 59.677 -2.767 1
1 1169 . 14 1 1 A 92 92 TRP CB C 92 27.990 28.007 -0.017 1
1 1175 . 14 1 1 A 92 92 TRP N N 92 115.110 117.936 -2.826 1
1 1177 . 14 1 1 A 93 93 LEU H H 93 7.150 7.358 -0.208 1
1 1178 . 14 1 1 A 93 93 LEU HA H 93 4.220 4.083 0.137 1
1 1188 . 14 1 1 A 93 93 LEU C C 93 176.210 175.995 0.215 1
1 1189 . 14 1 1 A 93 93 LEU CA C 93 55.350 57.759 -2.409 1
1 1190 . 14 1 1 A 93 93 LEU CB C 93 42.190 41.769 0.421 1
1 1194 . 14 1 1 A 93 93 LEU N N 93 123.090 123.351 -0.261 1
1 1195 . 14 1 1 A 94 94 MET H H 94 7.730 7.556 0.174 1
1 1196 . 14 1 1 A 94 94 MET HA H 94 4.340 4.660 -0.320 1
1 1201 . 14 1 1 A 94 94 MET C C 94 175.550 175.572 -0.022 1
1 1202 . 14 1 1 A 94 94 MET CA C 94 55.120 53.511 1.609 1
1 1203 . 14 1 1 A 94 94 MET CB C 94 32.630 33.455 -0.825 1
1 1205 . 14 1 1 A 94 94 MET N N 94 118.250 117.204 1.046 1
1 1206 . 14 1 1 A 95 95 LYS H H 95 7.950 8.587 -0.637 1
1 1207 . 14 1 1 A 95 95 LYS HA H 95 4.260 4.277 -0.017 1
1 1210 . 14 1 1 A 95 95 LYS C C 95 176.130 177.097 -0.967 1
1 1211 . 14 1 1 A 95 95 LYS CA C 95 56.150 56.073 0.077 1
1 1212 . 14 1 1 A 95 95 LYS CB C 95 33.010 33.145 -0.135 1
1 1213 . 14 1 1 A 95 95 LYS N N 95 121.650 123.021 -1.371 1
1 1214 . 14 1 1 A 96 96 LYS H H 96 8.260 8.810 -0.550 1
1 1215 . 14 1 1 A 96 96 LYS N N 96 123.570 120.303 3.267 1
1 1216 . 14 1 1 A 97 97 PRO HA H 97 4.530 4.846 -0.316 1
1 1219 . 14 1 1 A 97 97 PRO C C 97 176.830 175.508 1.322 1
1 1220 . 14 1 1 A 97 97 PRO CA C 97 63.180 62.898 0.282 1
1 1221 . 14 1 1 A 97 97 PRO CB C 97 32.050 32.883 -0.833 1
1 88 . 15 1 1 A 9 9 PRO HA H 9 4.410 4.375 0.035 1
1 95 . 15 1 1 A 9 9 PRO C C 9 176.460 176.887 -0.427 1
1 96 . 15 1 1 A 9 9 PRO CA C 9 63.030 62.295 0.735 1
1 97 . 15 1 1 A 9 9 PRO CB C 9 32.210 32.008 0.202 1
1 100 . 15 1 1 A 10 10 LEU H H 10 9.190 8.956 0.234 1
1 101 . 15 1 1 A 10 10 LEU HA H 10 4.640 4.649 -0.009 1
1 111 . 15 1 1 A 10 10 LEU C C 10 176.620 175.808 0.812 1
1 112 . 15 1 1 A 10 10 LEU CA C 10 53.420 53.597 -0.177 1
1 113 . 15 1 1 A 10 10 LEU CB C 10 44.290 42.667 1.623 1
1 117 . 15 1 1 A 10 10 LEU N N 10 123.060 122.362 0.698 1
1 118 . 15 1 1 A 11 11 GLU H H 11 8.720 8.400 0.320 1
1 119 . 15 1 1 A 11 11 GLU HA H 11 4.490 5.144 -0.654 1
1 124 . 15 1 1 A 11 11 GLU C C 11 176.620 175.457 1.163 1
1 125 . 15 1 1 A 11 11 GLU CA C 11 57.060 54.769 2.291 1
1 126 . 15 1 1 A 11 11 GLU CB C 11 30.820 33.320 -2.500 1
1 128 . 15 1 1 A 11 11 GLU N N 11 121.330 118.559 2.771 1
1 129 . 15 1 1 A 12 12 ALA H H 12 8.760 8.841 -0.081 1
1 130 . 15 1 1 A 12 12 ALA HA H 12 5.390 5.592 -0.202 1
1 134 . 15 1 1 A 12 12 ALA C C 12 176.040 175.008 1.032 1
1 135 . 15 1 1 A 12 12 ALA CA C 12 50.350 50.961 -0.611 1
1 136 . 15 1 1 A 12 12 ALA CB C 12 24.490 23.908 0.582 1
1 137 . 15 1 1 A 12 12 ALA N N 12 127.010 123.738 3.272 1
1 138 . 15 1 1 A 13 13 GLU H H 13 8.850 9.396 -0.546 1
1 139 . 15 1 1 A 13 13 GLU HA H 13 5.240 5.474 -0.234 1
1 144 . 15 1 1 A 13 13 GLU C C 13 175.320 174.839 0.481 1
1 145 . 15 1 1 A 13 13 GLU CA C 13 55.580 54.964 0.616 1
1 146 . 15 1 1 A 13 13 GLU CB C 13 34.410 32.301 2.109 1
1 148 . 15 1 1 A 13 13 GLU N N 13 119.980 121.293 -1.313 1
1 149 . 15 1 1 A 14 14 ILE H H 14 8.420 8.669 -0.249 1
1 150 . 15 1 1 A 14 14 ILE HA H 14 4.210 4.601 -0.391 1
1 160 . 15 1 1 A 14 14 ILE C C 14 174.520 175.928 -1.408 1
1 161 . 15 1 1 A 14 14 ILE CA C 14 61.000 59.863 1.137 1
1 162 . 15 1 1 A 14 14 ILE CB C 14 40.430 39.003 1.427 1
1 166 . 15 1 1 A 14 14 ILE N N 14 123.990 127.599 -3.609 1
1 167 . 15 1 1 A 15 15 LYS H H 15 9.590 9.624 -0.034 1
1 168 . 15 1 1 A 15 15 LYS HA H 15 3.880 4.058 -0.178 1
1 177 . 15 1 1 A 15 15 LYS C C 15 176.880 176.660 0.220 1
1 178 . 15 1 1 A 15 15 LYS CA C 15 57.890 57.539 0.351 1
1 179 . 15 1 1 A 15 15 LYS CB C 15 30.550 30.384 0.166 1
1 183 . 15 1 1 A 15 15 LYS N N 15 124.930 128.494 -3.564 1
1 184 . 15 1 1 A 16 16 GLY H H 16 8.730 8.404 0.326 1
1 185 . 15 1 1 A 16 16 GLY HA2 H 16 3.670 3.898 -0.228 1
1 186 . 15 1 1 A 16 16 GLY HA3 H 16 4.230 3.906 0.324 1
1 187 . 15 1 1 A 16 16 GLY C C 16 174.360 174.382 -0.022 1
1 188 . 15 1 1 A 16 16 GLY CA C 16 45.540 45.314 0.226 1
1 189 . 15 1 1 A 16 16 GLY N N 16 104.580 105.904 -1.324 1
1 190 . 15 1 1 A 17 17 THR H H 17 8.400 7.842 0.558 1
1 191 . 15 1 1 A 17 17 THR HA H 17 4.490 4.267 0.223 1
1 196 . 15 1 1 A 17 17 THR C C 17 172.970 174.104 -1.134 1
1 197 . 15 1 1 A 17 17 THR CA C 17 62.580 63.673 -1.093 1
1 198 . 15 1 1 A 17 17 THR CB C 17 70.320 69.398 0.922 1
1 200 . 15 1 1 A 17 17 THR N N 17 120.070 116.257 3.813 1
1 201 . 15 1 1 A 18 18 LYS H H 18 8.750 8.754 -0.004 1
1 202 . 15 1 1 A 18 18 LYS HA H 18 4.920 4.836 0.084 1
1 211 . 15 1 1 A 18 18 LYS C C 18 175.860 175.229 0.631 1
1 212 . 15 1 1 A 18 18 LYS CA C 18 56.350 55.920 0.430 1
1 213 . 15 1 1 A 18 18 LYS CB C 18 32.940 33.560 -0.620 1
1 217 . 15 1 1 A 18 18 LYS N N 18 127.270 127.943 -0.673 1
1 218 . 15 1 1 A 19 19 LEU H H 19 8.750 9.122 -0.372 1
1 219 . 15 1 1 A 19 19 LEU HA H 19 4.850 5.000 -0.150 1
1 229 . 15 1 1 A 19 19 LEU C C 19 174.210 175.584 -1.374 1
1 230 . 15 1 1 A 19 19 LEU CA C 19 55.160 53.512 1.648 1
1 231 . 15 1 1 A 19 19 LEU CB C 19 43.340 46.548 -3.208 1
1 235 . 15 1 1 A 19 19 LEU N N 19 123.470 127.453 -3.983 1
1 236 . 15 1 1 A 20 20 LYS H H 20 8.660 8.439 0.221 1
1 237 . 15 1 1 A 20 20 LYS HA H 20 5.180 4.991 0.189 1
1 246 . 15 1 1 A 20 20 LYS C C 20 175.650 175.784 -0.134 1
1 247 . 15 1 1 A 20 20 LYS CA C 20 54.630 55.205 -0.575 1
1 248 . 15 1 1 A 20 20 LYS CB C 20 34.710 34.472 0.238 1
1 252 . 15 1 1 A 20 20 LYS N N 20 118.320 120.488 -2.168 1
1 253 . 15 1 1 A 21 21 ALA H H 21 8.860 8.559 0.301 1
1 254 . 15 1 1 A 21 21 ALA HA H 21 5.470 5.354 0.116 1
1 258 . 15 1 1 A 21 21 ALA C C 21 174.740 175.646 -0.906 1
1 259 . 15 1 1 A 21 21 ALA CA C 21 49.510 50.620 -1.110 1
1 260 . 15 1 1 A 21 21 ALA CB C 21 22.990 24.318 -1.328 1
1 261 . 15 1 1 A 21 21 ALA N N 21 120.460 122.298 -1.838 1
1 262 . 15 1 1 A 22 22 HIS H H 22 9.140 9.016 0.124 1
1 263 . 15 1 1 A 22 22 HIS HA H 22 5.070 5.289 -0.219 1
1 268 . 15 1 1 A 22 22 HIS C C 22 174.310 174.234 0.076 1
1 269 . 15 1 1 A 22 22 HIS CA C 22 54.040 53.621 0.419 1
1 270 . 15 1 1 A 22 22 HIS CB C 22 32.390 32.484 -0.094 1
1 272 . 15 1 1 A 22 22 HIS N N 22 119.890 114.813 5.077 1
1 273 . 15 1 1 A 23 23 TRP H H 23 9.160 9.056 0.104 1
1 274 . 15 1 1 A 23 23 TRP HA H 23 4.360 4.763 -0.403 1
1 283 . 15 1 1 A 23 23 TRP C C 23 175.070 175.081 -0.011 1
1 284 . 15 1 1 A 23 23 TRP CA C 23 59.160 57.348 1.812 1
1 285 . 15 1 1 A 23 23 TRP CB C 23 30.710 29.826 0.884 1
1 291 . 15 1 1 A 23 23 TRP N N 23 126.610 127.338 -0.728 1
1 293 . 15 1 1 A 24 24 ASP H H 24 7.720 7.925 -0.205 1
1 294 . 15 1 1 A 24 24 ASP HA H 24 4.880 4.812 0.068 1
1 297 . 15 1 1 A 24 24 ASP C C 24 175.340 175.481 -0.141 1
1 298 . 15 1 1 A 24 24 ASP CA C 24 53.030 52.311 0.719 1
1 299 . 15 1 1 A 24 24 ASP CB C 24 43.510 42.101 1.409 1
1 300 . 15 1 1 A 24 24 ASP N N 24 126.750 128.719 -1.969 1
1 301 . 15 1 1 A 25 25 SER H H 25 8.490 8.392 0.098 1
1 302 . 15 1 1 A 25 25 SER HA H 25 3.580 3.482 0.098 1
1 305 . 15 1 1 A 25 25 SER C C 25 175.340 176.620 -1.280 1
1 306 . 15 1 1 A 25 25 SER CA C 25 60.640 60.863 -0.223 1
1 307 . 15 1 1 A 25 25 SER CB C 25 62.990 62.703 0.287 1
1 308 . 15 1 1 A 25 25 SER N N 25 119.220 119.346 -0.126 1
1 309 . 15 1 1 A 26 26 GLY H H 26 8.670 8.053 0.617 1
1 310 . 15 1 1 A 26 26 GLY HA2 H 26 3.630 3.877 -0.247 1
1 311 . 15 1 1 A 26 26 GLY HA3 H 26 4.200 3.881 0.319 1
1 312 . 15 1 1 A 26 26 GLY C C 26 174.190 174.682 -0.492 1
1 313 . 15 1 1 A 26 26 GLY CA C 26 44.760 46.700 -1.940 1
1 314 . 15 1 1 A 26 26 GLY N N 26 109.290 109.622 -0.332 1
1 315 . 15 1 1 A 27 27 ALA H H 27 7.550 7.238 0.312 1
1 316 . 15 1 1 A 27 27 ALA HA H 27 4.370 4.287 0.083 1
1 320 . 15 1 1 A 27 27 ALA C C 27 178.430 178.242 0.188 1
1 321 . 15 1 1 A 27 27 ALA CA C 27 52.240 52.203 0.037 1
1 322 . 15 1 1 A 27 27 ALA CB C 27 18.240 19.443 -1.203 1
1 323 . 15 1 1 A 27 27 ALA N N 27 124.840 123.243 1.597 1
1 324 . 15 1 1 A 28 28 THR H H 28 8.260 8.818 -0.558 1
1 325 . 15 1 1 A 28 28 THR HA H 28 4.230 4.473 -0.243 1
1 330 . 15 1 1 A 28 28 THR C C 28 173.830 174.385 -0.555 1
1 331 . 15 1 1 A 28 28 THR CA C 28 62.180 61.857 0.323 1
1 332 . 15 1 1 A 28 28 THR CB C 28 69.240 69.542 -0.302 1
1 333 . 15 1 1 A 28 28 THR N N 28 112.480 112.060 0.420 1
1 334 . 15 1 1 A 29 29 ILE H H 29 7.460 7.446 0.014 1
1 335 . 15 1 1 A 29 29 ILE HA H 29 4.540 4.716 -0.176 1
1 345 . 15 1 1 A 29 29 ILE C C 29 173.440 174.364 -0.924 1
1 346 . 15 1 1 A 29 29 ILE CA C 29 60.540 59.624 0.916 1
1 347 . 15 1 1 A 29 29 ILE CB C 29 40.780 41.888 -1.108 1
1 351 . 15 1 1 A 29 29 ILE N N 29 118.820 121.900 -3.080 1
1 352 . 15 1 1 A 30 30 THR H H 30 9.380 8.676 0.704 1
1 353 . 15 1 1 A 30 30 THR HA H 30 4.870 4.182 0.688 1
1 358 . 15 1 1 A 30 30 THR C C 30 173.600 173.804 -0.204 1
1 359 . 15 1 1 A 30 30 THR CA C 30 64.280 63.657 0.623 1
1 360 . 15 1 1 A 30 30 THR CB C 30 69.840 69.191 0.649 1
1 361 . 15 1 1 A 30 30 THR N N 30 129.290 121.013 8.277 1
1 362 . 15 1 1 A 31 31 CYS H H 31 9.180 8.586 0.594 1
1 363 . 15 1 1 A 31 31 CYS HA H 31 5.530 5.250 0.280 1
1 366 . 15 1 1 A 31 31 CYS C C 31 174.420 174.229 0.191 1
1 367 . 15 1 1 A 31 31 CYS CA C 31 56.540 56.842 -0.302 1
1 368 . 15 1 1 A 31 31 CYS CB C 31 30.780 29.689 1.091 1
1 369 . 15 1 1 A 31 31 CYS N N 31 122.220 125.775 -3.555 1
1 370 . 15 1 1 A 32 32 VAL H H 32 9.090 8.854 0.236 1
1 371 . 15 1 1 A 32 32 VAL HA H 32 4.710 4.819 -0.109 1
1 379 . 15 1 1 A 32 32 VAL CA C 32 57.300 57.792 -0.492 1
1 380 . 15 1 1 A 32 32 VAL CB C 32 32.860 34.003 -1.143 1
1 383 . 15 1 1 A 32 32 VAL N N 32 117.890 119.235 -1.345 1
1 384 . 15 1 1 A 33 33 PRO HA H 33 4.530 5.222 -0.692 1
1 391 . 15 1 1 A 33 33 PRO C C 33 178.110 177.797 0.313 1
1 392 . 15 1 1 A 33 33 PRO CA C 33 64.140 62.545 1.595 1
1 393 . 15 1 1 A 33 33 PRO CB C 33 32.200 32.018 0.182 1
1 396 . 15 1 1 A 34 34 GLU H H 34 8.380 8.623 -0.243 1
1 397 . 15 1 1 A 34 34 GLU HA H 34 3.730 3.925 -0.195 1
1 402 . 15 1 1 A 34 34 GLU C C 34 177.830 178.299 -0.469 1
1 403 . 15 1 1 A 34 34 GLU CA C 34 59.480 59.576 -0.096 1
1 404 . 15 1 1 A 34 34 GLU CB C 34 29.860 29.392 0.468 1
1 406 . 15 1 1 A 34 34 GLU N N 34 122.200 124.592 -2.392 1
1 407 . 15 1 1 A 35 35 ALA H H 35 9.050 8.137 0.913 1
1 408 . 15 1 1 A 35 35 ALA HA H 35 4.030 4.012 0.018 1
1 412 . 15 1 1 A 35 35 ALA C C 35 180.250 179.072 1.178 1
1 413 . 15 1 1 A 35 35 ALA CA C 35 54.850 54.803 0.047 1
1 414 . 15 1 1 A 35 35 ALA CB C 35 18.160 18.493 -0.333 1
1 415 . 15 1 1 A 35 35 ALA N N 35 123.090 121.857 1.233 1
1 416 . 15 1 1 A 36 36 PHE H H 36 7.510 8.167 -0.657 1
1 417 . 15 1 1 A 36 36 PHE HA H 36 4.370 4.392 -0.022 1
1 425 . 15 1 1 A 36 36 PHE C C 36 174.870 176.950 -2.080 1
1 426 . 15 1 1 A 36 36 PHE CA C 36 60.160 59.721 0.439 1
1 427 . 15 1 1 A 36 36 PHE CB C 36 38.930 39.107 -0.177 1
1 433 . 15 1 1 A 36 36 PHE N N 36 112.030 115.354 -3.324 1
1 434 . 15 1 1 A 37 37 LEU H H 37 7.640 8.261 -0.621 1
1 435 . 15 1 1 A 37 37 LEU HA H 37 4.230 4.559 -0.329 1
1 445 . 15 1 1 A 37 37 LEU C C 37 177.380 176.994 0.386 1
1 446 . 15 1 1 A 37 37 LEU CA C 37 53.080 54.457 -1.377 1
1 447 . 15 1 1 A 37 37 LEU CB C 37 41.050 41.432 -0.382 1
1 451 . 15 1 1 A 37 37 LEU N N 37 116.800 119.064 -2.264 1
1 452 . 15 1 1 A 38 38 GLU H H 38 7.050 8.065 -1.015 1
1 453 . 15 1 1 A 38 38 GLU HA H 38 3.980 3.859 0.121 1
1 458 . 15 1 1 A 38 38 GLU C C 38 176.630 177.570 -0.940 1
1 459 . 15 1 1 A 38 38 GLU CA C 38 59.250 60.204 -0.954 1
1 460 . 15 1 1 A 38 38 GLU CB C 38 29.870 29.311 0.559 1
1 462 . 15 1 1 A 38 38 GLU N N 38 121.260 121.766 -0.506 1
1 463 . 15 1 1 A 39 39 ASP H H 39 8.690 8.342 0.348 1
1 464 . 15 1 1 A 39 39 ASP HA H 39 4.700 4.698 0.002 1
1 467 . 15 1 1 A 39 39 ASP C C 39 175.570 176.194 -0.624 1
1 468 . 15 1 1 A 39 39 ASP CA C 39 53.760 52.837 0.923 1
1 469 . 15 1 1 A 39 39 ASP CB C 39 40.010 39.826 0.184 1
1 470 . 15 1 1 A 39 39 ASP N N 39 115.590 115.640 -0.050 1
1 471 . 15 1 1 A 40 40 GLU H H 40 7.460 8.067 -0.607 1
1 472 . 15 1 1 A 40 40 GLU HA H 40 4.720 4.395 0.325 1
1 477 . 15 1 1 A 40 40 GLU C C 40 175.660 176.160 -0.500 1
1 478 . 15 1 1 A 40 40 GLU CA C 40 54.240 56.929 -2.689 1
1 479 . 15 1 1 A 40 40 GLU CB C 40 31.240 30.017 1.223 1
1 481 . 15 1 1 A 40 40 GLU N N 40 118.210 119.240 -1.030 1
1 482 . 15 1 1 A 41 41 ARG H H 41 9.130 8.970 0.160 1
1 483 . 15 1 1 A 41 41 ARG HA H 41 5.080 5.066 0.014 1
1 490 . 15 1 1 A 41 41 ARG CA C 41 52.540 53.062 -0.522 1
1 491 . 15 1 1 A 41 41 ARG CB C 41 31.240 31.623 -0.383 1
1 494 . 15 1 1 A 41 41 ARG N N 41 121.830 125.031 -3.201 1
1 495 . 15 1 1 A 42 42 PRO HA H 42 3.840 4.324 -0.484 1
1 502 . 15 1 1 A 42 42 PRO C C 42 177.180 176.966 0.214 1
1 503 . 15 1 1 A 42 42 PRO CA C 42 63.010 62.172 0.838 1
1 504 . 15 1 1 A 42 42 PRO CB C 42 32.490 31.369 1.121 1
1 507 . 15 1 1 A 43 43 ILE H H 43 9.110 8.077 1.033 1
1 508 . 15 1 1 A 43 43 ILE HA H 43 4.410 4.234 0.176 1
1 518 . 15 1 1 A 43 43 ILE C C 43 176.220 176.059 0.161 1
1 519 . 15 1 1 A 43 43 ILE CA C 43 61.480 61.656 -0.176 1
1 520 . 15 1 1 A 43 43 ILE CB C 43 39.510 38.722 0.788 1
1 524 . 15 1 1 A 43 43 ILE N N 43 115.610 118.326 -2.716 1
1 525 . 15 1 1 A 44 44 GLN H H 44 7.750 7.068 0.682 1
1 526 . 15 1 1 A 44 44 GLN HA H 44 4.610 4.763 -0.153 1
1 533 . 15 1 1 A 44 44 GLN C C 44 173.610 174.095 -0.485 1
1 534 . 15 1 1 A 44 44 GLN CA C 44 55.140 53.961 1.179 1
1 535 . 15 1 1 A 44 44 GLN CB C 44 31.460 33.445 -1.985 1
1 537 . 15 1 1 A 44 44 GLN N N 44 118.360 119.766 -1.406 1
1 539 . 15 1 1 A 45 45 THR H H 45 8.560 8.753 -0.193 1
1 540 . 15 1 1 A 45 45 THR HA H 45 5.140 5.112 0.028 1
1 545 . 15 1 1 A 45 45 THR C C 45 177.830 173.013 4.817 1
1 546 . 15 1 1 A 45 45 THR CA C 45 61.450 60.078 1.372 1
1 547 . 15 1 1 A 45 45 THR CB C 45 71.380 71.729 -0.349 1
1 549 . 15 1 1 A 45 45 THR N N 45 115.470 112.658 2.812 1
1 550 . 15 1 1 A 46 46 MET H H 46 9.100 9.005 0.095 1
1 551 . 15 1 1 A 46 46 MET HA H 46 4.730 5.102 -0.372 1
1 556 . 15 1 1 A 46 46 MET C C 46 173.520 173.561 -0.041 1
1 557 . 15 1 1 A 46 46 MET CA C 46 54.560 54.420 0.140 1
1 558 . 15 1 1 A 46 46 MET CB C 46 36.500 36.069 0.431 1
1 560 . 15 1 1 A 46 46 MET N N 46 123.160 122.325 0.835 1
1 561 . 15 1 1 A 47 47 LEU H H 47 8.490 9.008 -0.518 1
1 562 . 15 1 1 A 47 47 LEU HA H 47 4.730 5.202 -0.472 1
1 572 . 15 1 1 A 47 47 LEU C C 47 176.210 174.832 1.378 1
1 573 . 15 1 1 A 47 47 LEU CA C 47 54.440 53.357 1.083 1
1 574 . 15 1 1 A 47 47 LEU CB C 47 42.540 45.037 -2.497 1
1 578 . 15 1 1 A 47 47 LEU N N 47 124.300 126.030 -1.730 1
1 579 . 15 1 1 A 48 48 ILE H H 48 8.990 9.246 -0.256 1
1 580 . 15 1 1 A 48 48 ILE HA H 48 4.430 5.051 -0.621 1
1 590 . 15 1 1 A 48 48 ILE C C 48 175.040 174.519 0.521 1
1 591 . 15 1 1 A 48 48 ILE CA C 48 59.150 59.754 -0.604 1
1 592 . 15 1 1 A 48 48 ILE CB C 48 39.910 40.403 -0.493 1
1 596 . 15 1 1 A 48 48 ILE N N 48 125.760 127.087 -1.327 1
1 597 . 15 1 1 A 49 49 LYS H H 49 8.710 8.939 -0.229 1
1 598 . 15 1 1 A 49 49 LYS HA H 49 4.550 5.269 -0.719 1
1 607 . 15 1 1 A 49 49 LYS C C 49 176.060 175.030 1.030 1
1 608 . 15 1 1 A 49 49 LYS CA C 49 56.570 54.706 1.864 1
1 609 . 15 1 1 A 49 49 LYS CB C 49 33.010 35.768 -2.758 1
1 613 . 15 1 1 A 49 49 LYS N N 49 126.480 127.470 -0.990 1
1 614 . 15 1 1 A 50 50 THR H H 50 8.150 8.868 -0.718 1
1 615 . 15 1 1 A 50 50 THR HA H 50 4.860 5.039 -0.179 1
1 620 . 15 1 1 A 50 50 THR CA C 50 60.030 59.311 0.719 1
1 621 . 15 1 1 A 50 50 THR CB C 50 72.820 71.774 1.046 1
1 623 . 15 1 1 A 50 50 THR N N 50 116.220 117.029 -0.809 1
1 624 . 15 1 1 A 51 51 ILE HA H 51 4.400 3.726 0.674 1
1 634 . 15 1 1 A 51 51 ILE C C 51 176.140 177.521 -1.381 1
1 635 . 15 1 1 A 51 51 ILE CA C 51 63.450 64.372 -0.922 1
1 636 . 15 1 1 A 51 51 ILE CB C 51 37.970 37.776 0.194 1
1 640 . 15 1 1 A 52 52 HIS H H 52 7.820 8.008 -0.188 1
1 641 . 15 1 1 A 52 52 HIS HA H 52 4.830 4.343 0.487 1
1 644 . 15 1 1 A 52 52 HIS C C 52 175.190 175.229 -0.039 1
1 645 . 15 1 1 A 52 52 HIS CA C 52 55.670 58.659 -2.989 1
1 646 . 15 1 1 A 52 52 HIS CB C 52 31.260 29.878 1.382 1
1 647 . 15 1 1 A 52 52 HIS N N 52 118.280 120.814 -2.534 1
1 648 . 15 1 1 A 53 53 GLY H H 53 7.590 7.111 0.479 1
1 649 . 15 1 1 A 53 53 GLY HA2 H 53 3.880 3.999 -0.119 1
1 650 . 15 1 1 A 53 53 GLY HA3 H 53 4.510 4.013 0.497 1
1 651 . 15 1 1 A 53 53 GLY C C 53 173.360 171.474 1.886 1
1 652 . 15 1 1 A 53 53 GLY CA C 53 44.510 45.747 -1.237 1
1 653 . 15 1 1 A 53 53 GLY N N 53 108.490 103.897 4.593 1
1 654 . 15 1 1 A 54 54 GLU H H 54 8.710 8.533 0.177 1
1 655 . 15 1 1 A 54 54 GLU HA H 54 5.050 5.023 0.027 1
1 660 . 15 1 1 A 54 54 GLU C C 54 175.890 175.226 0.664 1
1 661 . 15 1 1 A 54 54 GLU CA C 54 55.980 55.184 0.796 1
1 662 . 15 1 1 A 54 54 GLU CB C 54 31.610 31.902 -0.292 1
1 664 . 15 1 1 A 54 54 GLU N N 54 121.850 120.893 0.957 1
1 665 . 15 1 1 A 55 55 LYS H H 55 8.930 9.014 -0.084 1
1 666 . 15 1 1 A 55 55 LYS HA H 55 4.670 5.090 -0.420 1
1 675 . 15 1 1 A 55 55 LYS C C 55 174.630 174.485 0.145 1
1 676 . 15 1 1 A 55 55 LYS CA C 55 54.750 54.605 0.145 1
1 677 . 15 1 1 A 55 55 LYS CB C 55 35.910 35.585 0.325 1
1 681 . 15 1 1 A 55 55 LYS N N 55 123.380 125.593 -2.213 1
1 682 . 15 1 1 A 56 56 GLN H H 56 8.670 8.916 -0.246 1
1 683 . 15 1 1 A 56 56 GLN HA H 56 4.820 5.118 -0.298 1
1 688 . 15 1 1 A 56 56 GLN C C 56 175.780 174.554 1.226 1
1 689 . 15 1 1 A 56 56 GLN CA C 56 55.500 54.169 1.331 1
1 690 . 15 1 1 A 56 56 GLN CB C 56 29.470 32.022 -2.552 1
1 692 . 15 1 1 A 56 56 GLN N N 56 122.950 124.909 -1.959 1
1 693 . 15 1 1 A 57 57 GLN H H 57 9.210 8.472 0.738 1
1 694 . 15 1 1 A 57 57 GLN HA H 57 4.740 4.966 -0.226 1
1 701 . 15 1 1 A 57 57 GLN C C 57 174.100 174.559 -0.459 1
1 702 . 15 1 1 A 57 57 GLN CA C 57 54.760 54.566 0.194 1
1 703 . 15 1 1 A 57 57 GLN CB C 57 32.670 33.211 -0.541 1
1 705 . 15 1 1 A 57 57 GLN N N 57 125.030 125.132 -0.102 1
1 707 . 15 1 1 A 58 58 ASP H H 58 8.570 8.633 -0.063 1
1 708 . 15 1 1 A 58 58 ASP HA H 58 4.860 5.045 -0.185 1
1 711 . 15 1 1 A 58 58 ASP C C 58 173.690 175.911 -2.221 1
1 712 . 15 1 1 A 58 58 ASP CA C 58 55.090 53.977 1.113 1
1 713 . 15 1 1 A 58 58 ASP CB C 58 42.120 42.429 -0.309 1
1 714 . 15 1 1 A 58 58 ASP N N 58 124.680 120.894 3.786 1
1 715 . 15 1 1 A 59 59 VAL H H 59 8.480 8.545 -0.065 1
1 716 . 15 1 1 A 59 59 VAL HA H 59 4.610 4.760 -0.150 1
1 724 . 15 1 1 A 59 59 VAL C C 59 174.600 174.663 -0.063 1
1 725 . 15 1 1 A 59 59 VAL CA C 59 61.130 61.571 -0.441 1
1 726 . 15 1 1 A 59 59 VAL CB C 59 34.250 33.080 1.170 1
1 729 . 15 1 1 A 59 59 VAL N N 59 121.270 120.869 0.401 1
1 730 . 15 1 1 A 60 60 TYR H H 60 9.390 9.256 0.134 1
1 731 . 15 1 1 A 60 60 TYR HA H 60 4.800 5.074 -0.274 1
1 738 . 15 1 1 A 60 60 TYR C C 60 173.840 174.174 -0.334 1
1 739 . 15 1 1 A 60 60 TYR CA C 60 56.840 56.614 0.226 1
1 740 . 15 1 1 A 60 60 TYR CB C 60 41.190 42.407 -1.217 1
1 745 . 15 1 1 A 60 60 TYR N N 60 125.760 126.622 -0.862 1
1 746 . 15 1 1 A 61 61 TYR H H 61 9.300 9.048 0.252 1
1 747 . 15 1 1 A 61 61 TYR HA H 61 5.370 5.560 -0.190 1
1 754 . 15 1 1 A 61 61 TYR C C 61 174.300 174.160 0.140 1
1 755 . 15 1 1 A 61 61 TYR CA C 61 57.490 56.861 0.629 1
1 756 . 15 1 1 A 61 61 TYR CB C 61 40.900 40.527 0.373 1
1 761 . 15 1 1 A 61 61 TYR N N 61 122.890 124.188 -1.298 1
1 762 . 15 1 1 A 62 62 LEU H H 62 8.770 8.796 -0.026 1
1 763 . 15 1 1 A 62 62 LEU HA H 62 4.780 5.102 -0.322 1
1 773 . 15 1 1 A 62 62 LEU C C 62 174.070 175.972 -1.902 1
1 774 . 15 1 1 A 62 62 LEU CA C 62 53.760 53.339 0.421 1
1 775 . 15 1 1 A 62 62 LEU CB C 62 49.020 45.800 3.220 1
1 779 . 15 1 1 A 62 62 LEU N N 62 129.700 129.000 0.700 1
1 780 . 15 1 1 A 63 63 THR H H 63 7.960 8.821 -0.861 1
1 781 . 15 1 1 A 63 63 THR HA H 63 5.410 5.063 0.347 1
1 786 . 15 1 1 A 63 63 THR C C 63 173.860 174.049 -0.189 1
1 787 . 15 1 1 A 63 63 THR CA C 63 60.850 61.149 -0.299 1
1 788 . 15 1 1 A 63 63 THR CB C 63 69.790 70.802 -1.012 1
1 790 . 15 1 1 A 63 63 THR N N 63 118.460 115.996 2.464 1
1 791 . 15 1 1 A 64 64 PHE H H 64 9.270 8.479 0.791 1
1 792 . 15 1 1 A 64 64 PHE HA H 64 5.100 5.645 -0.545 1
1 800 . 15 1 1 A 64 64 PHE C C 64 172.280 172.536 -0.256 1
1 801 . 15 1 1 A 64 64 PHE CA C 64 56.020 55.161 0.859 1
1 802 . 15 1 1 A 64 64 PHE CB C 64 38.350 42.289 -3.939 1
1 808 . 15 1 1 A 64 64 PHE N N 64 123.960 123.064 0.896 1
1 809 . 15 1 1 A 65 65 LYS H H 65 8.750 9.007 -0.257 1
1 810 . 15 1 1 A 65 65 LYS HA H 65 5.500 4.964 0.536 1
1 819 . 15 1 1 A 65 65 LYS C C 65 176.300 175.645 0.655 1
1 820 . 15 1 1 A 65 65 LYS CA C 65 54.900 55.778 -0.878 1
1 821 . 15 1 1 A 65 65 LYS CB C 65 37.730 33.950 3.780 1
1 825 . 15 1 1 A 65 65 LYS N N 65 117.930 119.814 -1.884 1
1 826 . 15 1 1 A 66 66 VAL H H 66 8.840 9.301 -0.461 1
1 827 . 15 1 1 A 66 66 VAL HA H 66 4.520 4.585 -0.065 1
1 835 . 15 1 1 A 66 66 VAL C C 66 175.550 176.043 -0.493 1
1 836 . 15 1 1 A 66 66 VAL CA C 66 62.130 61.285 0.845 1
1 837 . 15 1 1 A 66 66 VAL CB C 66 35.100 32.852 2.248 1
1 840 . 15 1 1 A 66 66 VAL N N 66 119.330 125.011 -5.681 1
1 841 . 15 1 1 A 67 67 GLN H H 67 9.690 9.617 0.073 1
1 842 . 15 1 1 A 67 67 GLN HA H 67 4.050 4.085 -0.035 1
1 849 . 15 1 1 A 67 67 GLN C C 67 176.300 176.258 0.042 1
1 850 . 15 1 1 A 67 67 GLN CA C 67 56.720 57.222 -0.502 1
1 851 . 15 1 1 A 67 67 GLN CB C 67 28.230 26.957 1.273 1
1 853 . 15 1 1 A 67 67 GLN N N 67 125.930 128.888 -2.958 1
1 855 . 15 1 1 A 68 68 GLY H H 68 8.980 8.711 0.269 1
1 856 . 15 1 1 A 68 68 GLY HA2 H 68 3.510 3.857 -0.347 1
1 857 . 15 1 1 A 68 68 GLY HA3 H 68 4.140 3.865 0.275 1
1 858 . 15 1 1 A 68 68 GLY C C 68 173.410 173.794 -0.384 1
1 859 . 15 1 1 A 68 68 GLY CA C 68 45.460 45.793 -0.333 1
1 860 . 15 1 1 A 68 68 GLY N N 68 103.510 104.160 -0.650 1
1 861 . 15 1 1 A 69 69 ARG H H 69 8.070 7.813 0.257 1
1 862 . 15 1 1 A 69 69 ARG HA H 69 4.400 4.577 -0.177 1
1 869 . 15 1 1 A 69 69 ARG C C 69 174.880 174.832 0.048 1
1 870 . 15 1 1 A 69 69 ARG CA C 69 54.730 54.344 0.386 1
1 871 . 15 1 1 A 69 69 ARG CB C 69 31.520 32.440 -0.920 1
1 874 . 15 1 1 A 69 69 ARG N N 69 122.680 119.857 2.823 1
1 875 . 15 1 1 A 70 70 LYS H H 70 8.390 8.650 -0.260 1
1 876 . 15 1 1 A 70 70 LYS HA H 70 4.220 4.336 -0.116 1
1 885 . 15 1 1 A 70 70 LYS C C 70 175.330 174.920 0.410 1
1 886 . 15 1 1 A 70 70 LYS CA C 70 57.860 56.815 1.045 1
1 887 . 15 1 1 A 70 70 LYS CB C 70 32.790 32.758 0.032 1
1 891 . 15 1 1 A 70 70 LYS N N 70 123.590 126.725 -3.135 1
1 892 . 15 1 1 A 71 71 VAL H H 71 9.050 8.401 0.649 1
1 893 . 15 1 1 A 71 71 VAL HA H 71 4.140 4.625 -0.485 1
1 901 . 15 1 1 A 71 71 VAL C C 71 173.310 174.051 -0.741 1
1 902 . 15 1 1 A 71 71 VAL CA C 71 61.370 60.516 0.854 1
1 903 . 15 1 1 A 71 71 VAL CB C 71 34.610 35.425 -0.815 1
1 906 . 15 1 1 A 71 71 VAL N N 71 128.340 126.644 1.696 1
1 907 . 15 1 1 A 72 72 GLU H H 72 8.150 8.786 -0.636 1
1 908 . 15 1 1 A 72 72 GLU HA H 72 4.970 5.014 -0.044 1
1 913 . 15 1 1 A 72 72 GLU C C 72 174.910 175.434 -0.524 1
1 914 . 15 1 1 A 72 72 GLU CA C 72 54.490 54.773 -0.283 1
1 915 . 15 1 1 A 72 72 GLU CB C 72 31.410 32.841 -1.431 1
1 917 . 15 1 1 A 72 72 GLU N N 72 124.430 125.274 -0.844 1
1 918 . 15 1 1 A 73 73 ALA H H 73 8.420 8.082 0.338 1
1 919 . 15 1 1 A 73 73 ALA HA H 73 4.770 4.829 -0.059 1
1 923 . 15 1 1 A 73 73 ALA C C 73 175.140 175.913 -0.773 1
1 924 . 15 1 1 A 73 73 ALA CA C 73 51.050 50.950 0.100 1
1 925 . 15 1 1 A 73 73 ALA CB C 73 23.060 22.685 0.375 1
1 926 . 15 1 1 A 73 73 ALA N N 73 124.790 122.751 2.039 1
1 927 . 15 1 1 A 74 74 GLU H H 74 8.520 8.393 0.127 1
1 928 . 15 1 1 A 74 74 GLU HA H 74 5.260 5.256 0.004 1
1 933 . 15 1 1 A 74 74 GLU C C 74 176.570 175.385 1.185 1
1 934 . 15 1 1 A 74 74 GLU CA C 74 55.770 56.754 -0.984 1
1 935 . 15 1 1 A 74 74 GLU CB C 74 29.840 31.359 -1.519 1
1 937 . 15 1 1 A 74 74 GLU N N 74 120.480 118.448 2.032 1
1 938 . 15 1 1 A 75 75 VAL H H 75 9.240 9.082 0.158 1
1 939 . 15 1 1 A 75 75 VAL HA H 75 5.730 5.155 0.575 1
1 947 . 15 1 1 A 75 75 VAL C C 75 174.700 173.743 0.957 1
1 948 . 15 1 1 A 75 75 VAL CA C 75 57.950 60.230 -2.280 1
1 949 . 15 1 1 A 75 75 VAL CB C 75 36.540 35.948 0.592 1
1 952 . 15 1 1 A 75 75 VAL N N 75 113.070 120.442 -7.372 1
1 953 . 15 1 1 A 76 76 LEU H H 76 8.420 8.566 -0.146 1
1 954 . 15 1 1 A 76 76 LEU HA H 76 5.110 5.110 0.000 1
1 964 . 15 1 1 A 76 76 LEU C C 76 176.970 174.581 2.389 1
1 965 . 15 1 1 A 76 76 LEU CA C 76 52.370 53.490 -1.120 1
1 966 . 15 1 1 A 76 76 LEU CB C 76 45.230 46.499 -1.269 1
1 970 . 15 1 1 A 76 76 LEU N N 76 117.790 126.228 -8.438 1
1 971 . 15 1 1 A 77 77 ALA H H 77 8.930 8.613 0.317 1
1 972 . 15 1 1 A 77 77 ALA HA H 77 4.500 4.690 -0.190 1
1 976 . 15 1 1 A 77 77 ALA C C 77 177.950 176.722 1.228 1
1 977 . 15 1 1 A 77 77 ALA CA C 77 52.090 52.154 -0.064 1
1 978 . 15 1 1 A 77 77 ALA CB C 77 20.280 19.468 0.812 1
1 979 . 15 1 1 A 77 77 ALA N N 77 122.210 129.140 -6.930 1
1 980 . 15 1 1 A 78 78 SER H H 78 8.380 8.441 -0.061 1
1 981 . 15 1 1 A 78 78 SER HA H 78 5.010 4.908 0.102 1
1 984 . 15 1 1 A 78 78 SER CA C 78 54.230 55.534 -1.304 1
1 985 . 15 1 1 A 78 78 SER CB C 78 66.050 65.957 0.093 1
1 986 . 15 1 1 A 78 78 SER N N 78 117.830 116.382 1.448 1
1 987 . 15 1 1 A 79 79 PRO HA H 79 4.660 4.489 0.171 1
1 994 . 15 1 1 A 79 79 PRO C C 79 176.150 175.957 0.193 1
1 995 . 15 1 1 A 79 79 PRO CA C 79 62.860 63.232 -0.372 1
1 996 . 15 1 1 A 79 79 PRO CB C 79 31.230 31.718 -0.488 1
1 999 . 15 1 1 A 80 80 TYR H H 80 7.380 7.214 0.166 1
1 1000 . 15 1 1 A 80 80 TYR HA H 80 4.710 4.724 -0.014 1
1 1007 . 15 1 1 A 80 80 TYR C C 80 175.550 175.461 0.089 1
1 1008 . 15 1 1 A 80 80 TYR CA C 80 56.150 57.680 -1.530 1
1 1009 . 15 1 1 A 80 80 TYR CB C 80 38.490 39.309 -0.819 1
1 1014 . 15 1 1 A 80 80 TYR N N 80 120.860 120.491 0.369 1
1 1015 . 15 1 1 A 81 81 ASP H H 81 8.290 9.468 -1.178 1
1 1016 . 15 1 1 A 81 81 ASP HA H 81 4.640 5.034 -0.394 1
1 1019 . 15 1 1 A 81 81 ASP C C 81 175.290 175.118 0.172 1
1 1020 . 15 1 1 A 81 81 ASP CA C 81 53.560 54.083 -0.523 1
1 1021 . 15 1 1 A 81 81 ASP CB C 81 40.650 41.815 -1.165 1
1 1022 . 15 1 1 A 81 81 ASP N N 81 115.600 120.469 -4.869 1
1 1023 . 15 1 1 A 82 82 TYR H H 82 6.680 7.670 -0.990 1
1 1024 . 15 1 1 A 82 82 TYR HA H 82 5.160 5.181 -0.021 1
1 1031 . 15 1 1 A 82 82 TYR C C 82 173.930 172.915 1.015 1
1 1032 . 15 1 1 A 82 82 TYR CA C 82 53.190 55.788 -2.598 1
1 1033 . 15 1 1 A 82 82 TYR CB C 82 40.820 41.672 -0.852 1
1 1038 . 15 1 1 A 82 82 TYR N N 82 116.100 116.444 -0.344 1
1 1039 . 15 1 1 A 83 83 ILE H H 83 8.900 8.598 0.302 1
1 1040 . 15 1 1 A 83 83 ILE HA H 83 4.480 4.519 -0.039 1
1 1050 . 15 1 1 A 83 83 ILE C C 83 175.160 174.767 0.393 1
1 1051 . 15 1 1 A 83 83 ILE CA C 83 60.940 59.278 1.662 1
1 1052 . 15 1 1 A 83 83 ILE CB C 83 40.980 41.593 -0.613 1
1 1056 . 15 1 1 A 83 83 ILE N N 83 119.050 119.182 -0.132 1
1 1057 . 15 1 1 A 84 84 LEU H H 84 8.740 9.668 -0.928 1
1 1058 . 15 1 1 A 84 84 LEU HA H 84 5.140 5.292 -0.152 1
1 1068 . 15 1 1 A 84 84 LEU C C 84 174.920 175.377 -0.457 1
1 1069 . 15 1 1 A 84 84 LEU CA C 84 53.800 53.583 0.217 1
1 1070 . 15 1 1 A 84 84 LEU CB C 84 44.100 44.134 -0.034 1
1 1074 . 15 1 1 A 84 84 LEU N N 84 130.660 126.176 4.484 1
1 1075 . 15 1 1 A 85 85 LEU H H 85 9.010 8.773 0.237 1
1 1076 . 15 1 1 A 85 85 LEU HA H 85 4.470 4.915 -0.445 1
1 1086 . 15 1 1 A 85 85 LEU C C 85 174.660 175.546 -0.886 1
1 1087 . 15 1 1 A 85 85 LEU CA C 85 54.080 53.294 0.786 1
1 1088 . 15 1 1 A 85 85 LEU CB C 85 44.350 44.540 -0.190 1
1 1092 . 15 1 1 A 85 85 LEU N N 85 125.210 123.480 1.730 1
1 1093 . 15 1 1 A 86 86 ASN H H 86 8.370 8.541 -0.171 1
1 1094 . 15 1 1 A 86 86 ASN HA H 86 4.680 4.875 -0.195 1
1 1099 . 15 1 1 A 86 86 ASN CA C 86 49.780 50.356 -0.576 1
1 1100 . 15 1 1 A 86 86 ASN CB C 86 38.890 40.529 -1.639 1
1 1101 . 15 1 1 A 86 86 ASN N N 86 122.970 122.076 0.894 1
1 1103 . 15 1 1 A 87 87 PRO HA H 87 3.600 4.547 -0.947 1
1 1110 . 15 1 1 A 87 87 PRO C C 87 178.740 178.289 0.451 1
1 1111 . 15 1 1 A 87 87 PRO CA C 87 65.050 64.805 0.245 1
1 1112 . 15 1 1 A 87 87 PRO CB C 87 33.160 32.145 1.015 1
1 1115 . 15 1 1 A 88 88 SER H H 88 7.580 9.373 -1.793 1
1 1116 . 15 1 1 A 88 88 SER HA H 88 4.100 4.258 -0.158 1
1 1119 . 15 1 1 A 88 88 SER C C 88 175.480 176.440 -0.960 1
1 1120 . 15 1 1 A 88 88 SER CA C 88 60.730 61.093 -0.363 1
1 1121 . 15 1 1 A 88 88 SER CB C 88 62.870 63.324 -0.454 1
1 1122 . 15 1 1 A 88 88 SER N N 88 109.530 113.750 -4.220 1
1 1123 . 15 1 1 A 89 89 ASP H H 89 8.170 8.054 0.116 1
1 1124 . 15 1 1 A 89 89 ASP HA H 89 4.770 4.568 0.202 1
1 1127 . 15 1 1 A 89 89 ASP C C 89 175.730 176.863 -1.133 1
1 1128 . 15 1 1 A 89 89 ASP CA C 89 56.030 56.644 -0.614 1
1 1129 . 15 1 1 A 89 89 ASP CB C 89 41.380 41.396 -0.016 1
1 1130 . 15 1 1 A 89 89 ASP N N 89 118.600 120.004 -1.404 1
1 1131 . 15 1 1 A 90 90 VAL H H 90 7.050 7.335 -0.285 1
1 1132 . 15 1 1 A 90 90 VAL HA H 90 4.050 2.948 1.102 1
1 1140 . 15 1 1 A 90 90 VAL CA C 90 56.960 58.286 -1.326 1
1 1141 . 15 1 1 A 90 90 VAL CB C 90 31.710 31.150 0.560 1
1 1144 . 15 1 1 A 90 90 VAL N N 90 109.580 112.374 -2.794 1
1 1145 . 15 1 1 A 91 91 PRO HA H 91 4.250 4.394 -0.144 1
1 1152 . 15 1 1 A 91 91 PRO C C 91 176.870 178.042 -1.172 1
1 1153 . 15 1 1 A 91 91 PRO CA C 91 65.190 64.478 0.712 1
1 1154 . 15 1 1 A 91 91 PRO CB C 91 31.470 31.845 -0.375 1
1 1157 . 15 1 1 A 92 92 TRP H H 92 6.720 7.951 -1.231 1
1 1158 . 15 1 1 A 92 92 TRP HA H 92 4.570 4.450 0.120 1
1 1167 . 15 1 1 A 92 92 TRP C C 92 176.630 179.364 -2.734 1
1 1168 . 15 1 1 A 92 92 TRP CA C 92 56.910 59.995 -3.085 1
1 1169 . 15 1 1 A 92 92 TRP CB C 92 27.990 28.123 -0.133 1
1 1175 . 15 1 1 A 92 92 TRP N N 92 115.110 117.852 -2.742 1
1 1177 . 15 1 1 A 93 93 LEU H H 93 7.150 7.466 -0.316 1
1 1178 . 15 1 1 A 93 93 LEU HA H 93 4.220 3.814 0.406 1
1 1188 . 15 1 1 A 93 93 LEU C C 93 176.210 178.851 -2.641 1
1 1189 . 15 1 1 A 93 93 LEU CA C 93 55.350 57.672 -2.322 1
1 1190 . 15 1 1 A 93 93 LEU CB C 93 42.190 40.948 1.242 1
1 1194 . 15 1 1 A 93 93 LEU N N 93 123.090 122.450 0.640 1
1 1195 . 15 1 1 A 94 94 MET H H 94 7.730 8.005 -0.275 1
1 1196 . 15 1 1 A 94 94 MET HA H 94 4.340 3.723 0.617 1
1 1201 . 15 1 1 A 94 94 MET C C 94 175.550 176.464 -0.914 1
1 1202 . 15 1 1 A 94 94 MET CA C 94 55.120 58.968 -3.848 1
1 1203 . 15 1 1 A 94 94 MET CB C 94 32.630 32.801 -0.171 1
1 1205 . 15 1 1 A 94 94 MET N N 94 118.250 117.093 1.157 1
1 1206 . 15 1 1 A 95 95 LYS H H 95 7.950 7.599 0.351 1
1 1207 . 15 1 1 A 95 95 LYS HA H 95 4.260 3.898 0.362 1
1 1210 . 15 1 1 A 95 95 LYS C C 95 176.130 176.356 -0.226 1
1 1211 . 15 1 1 A 95 95 LYS CA C 95 56.150 58.389 -2.239 1
1 1212 . 15 1 1 A 95 95 LYS CB C 95 33.010 31.267 1.743 1
1 1213 . 15 1 1 A 95 95 LYS N N 95 121.650 116.324 5.326 1
1 1214 . 15 1 1 A 96 96 LYS H H 96 8.260 8.238 0.022 1
1 1215 . 15 1 1 A 96 96 LYS N N 96 123.570 119.814 3.756 1
1 1216 . 15 1 1 A 97 97 PRO HA H 97 4.530 4.765 -0.235 1
1 1219 . 15 1 1 A 97 97 PRO C C 97 176.830 175.437 1.393 1
1 1220 . 15 1 1 A 97 97 PRO CA C 97 63.180 62.782 0.398 1
1 1221 . 15 1 1 A 97 97 PRO CB C 97 32.050 32.943 -0.893 1
1 88 . 16 1 1 A 9 9 PRO HA H 9 4.410 4.333 0.077 1
1 95 . 16 1 1 A 9 9 PRO C C 9 176.460 176.902 -0.442 1
1 96 . 16 1 1 A 9 9 PRO CA C 9 63.030 62.379 0.651 1
1 97 . 16 1 1 A 9 9 PRO CB C 9 32.210 31.648 0.562 1
1 100 . 16 1 1 A 10 10 LEU H H 10 9.190 8.391 0.799 1
1 101 . 16 1 1 A 10 10 LEU HA H 10 4.640 4.614 0.026 1
1 111 . 16 1 1 A 10 10 LEU C C 10 176.620 176.238 0.382 1
1 112 . 16 1 1 A 10 10 LEU CA C 10 53.420 54.050 -0.630 1
1 113 . 16 1 1 A 10 10 LEU CB C 10 44.290 42.639 1.651 1
1 117 . 16 1 1 A 10 10 LEU N N 10 123.060 122.851 0.209 1
1 118 . 16 1 1 A 11 11 GLU H H 11 8.720 8.702 0.018 1
1 119 . 16 1 1 A 11 11 GLU HA H 11 4.490 5.161 -0.671 1
1 124 . 16 1 1 A 11 11 GLU C C 11 176.620 175.126 1.494 1
1 125 . 16 1 1 A 11 11 GLU CA C 11 57.060 54.878 2.182 1
1 126 . 16 1 1 A 11 11 GLU CB C 11 30.820 33.064 -2.244 1
1 128 . 16 1 1 A 11 11 GLU N N 11 121.330 121.283 0.047 1
1 129 . 16 1 1 A 12 12 ALA H H 12 8.760 8.824 -0.064 1
1 130 . 16 1 1 A 12 12 ALA HA H 12 5.390 5.559 -0.169 1
1 134 . 16 1 1 A 12 12 ALA C C 12 176.040 175.001 1.039 1
1 135 . 16 1 1 A 12 12 ALA CA C 12 50.350 51.170 -0.820 1
1 136 . 16 1 1 A 12 12 ALA CB C 12 24.490 23.235 1.255 1
1 137 . 16 1 1 A 12 12 ALA N N 12 127.010 128.022 -1.012 1
1 138 . 16 1 1 A 13 13 GLU H H 13 8.850 9.419 -0.569 1
1 139 . 16 1 1 A 13 13 GLU HA H 13 5.240 5.484 -0.244 1
1 144 . 16 1 1 A 13 13 GLU C C 13 175.320 175.181 0.139 1
1 145 . 16 1 1 A 13 13 GLU CA C 13 55.580 54.926 0.654 1
1 146 . 16 1 1 A 13 13 GLU CB C 13 34.410 32.944 1.466 1
1 148 . 16 1 1 A 13 13 GLU N N 13 119.980 122.489 -2.509 1
1 149 . 16 1 1 A 14 14 ILE H H 14 8.420 8.927 -0.507 1
1 150 . 16 1 1 A 14 14 ILE HA H 14 4.210 4.676 -0.466 1
1 160 . 16 1 1 A 14 14 ILE C C 14 174.520 175.964 -1.444 1
1 161 . 16 1 1 A 14 14 ILE CA C 14 61.000 59.980 1.020 1
1 162 . 16 1 1 A 14 14 ILE CB C 14 40.430 39.415 1.015 1
1 166 . 16 1 1 A 14 14 ILE N N 14 123.990 127.304 -3.314 1
1 167 . 16 1 1 A 15 15 LYS H H 15 9.590 9.152 0.438 1
1 168 . 16 1 1 A 15 15 LYS HA H 15 3.880 4.061 -0.181 1
1 177 . 16 1 1 A 15 15 LYS C C 15 176.880 176.649 0.231 1
1 178 . 16 1 1 A 15 15 LYS CA C 15 57.890 57.508 0.382 1
1 179 . 16 1 1 A 15 15 LYS CB C 15 30.550 30.293 0.257 1
1 183 . 16 1 1 A 15 15 LYS N N 15 124.930 128.596 -3.666 1
1 184 . 16 1 1 A 16 16 GLY H H 16 8.730 8.503 0.227 1
1 185 . 16 1 1 A 16 16 GLY HA2 H 16 3.670 3.890 -0.220 1
1 186 . 16 1 1 A 16 16 GLY HA3 H 16 4.230 3.892 0.338 1
1 187 . 16 1 1 A 16 16 GLY C C 16 174.360 174.201 0.159 1
1 188 . 16 1 1 A 16 16 GLY CA C 16 45.540 45.281 0.259 1
1 189 . 16 1 1 A 16 16 GLY N N 16 104.580 105.914 -1.334 1
1 190 . 16 1 1 A 17 17 THR H H 17 8.400 8.842 -0.442 1
1 191 . 16 1 1 A 17 17 THR HA H 17 4.490 4.277 0.213 1
1 196 . 16 1 1 A 17 17 THR C C 17 172.970 173.926 -0.956 1
1 197 . 16 1 1 A 17 17 THR CA C 17 62.580 63.585 -1.005 1
1 198 . 16 1 1 A 17 17 THR CB C 17 70.320 69.274 1.046 1
1 200 . 16 1 1 A 17 17 THR N N 17 120.070 117.098 2.972 1
1 201 . 16 1 1 A 18 18 LYS H H 18 8.750 8.758 -0.008 1
1 202 . 16 1 1 A 18 18 LYS HA H 18 4.920 4.763 0.157 1
1 211 . 16 1 1 A 18 18 LYS C C 18 175.860 175.218 0.642 1
1 212 . 16 1 1 A 18 18 LYS CA C 18 56.350 56.130 0.220 1
1 213 . 16 1 1 A 18 18 LYS CB C 18 32.940 33.047 -0.107 1
1 217 . 16 1 1 A 18 18 LYS N N 18 127.270 127.938 -0.668 1
1 218 . 16 1 1 A 19 19 LEU H H 19 8.750 8.937 -0.187 1
1 219 . 16 1 1 A 19 19 LEU HA H 19 4.850 4.996 -0.146 1
1 229 . 16 1 1 A 19 19 LEU C C 19 174.210 175.665 -1.455 1
1 230 . 16 1 1 A 19 19 LEU CA C 19 55.160 53.542 1.618 1
1 231 . 16 1 1 A 19 19 LEU CB C 19 43.340 46.313 -2.973 1
1 235 . 16 1 1 A 19 19 LEU N N 19 123.470 127.410 -3.940 1
1 236 . 16 1 1 A 20 20 LYS H H 20 8.660 8.422 0.238 1
1 237 . 16 1 1 A 20 20 LYS HA H 20 5.180 4.827 0.353 1
1 246 . 16 1 1 A 20 20 LYS C C 20 175.650 175.527 0.123 1
1 247 . 16 1 1 A 20 20 LYS CA C 20 54.630 55.419 -0.789 1
1 248 . 16 1 1 A 20 20 LYS CB C 20 34.710 34.324 0.386 1
1 252 . 16 1 1 A 20 20 LYS N N 20 118.320 120.804 -2.484 1
1 253 . 16 1 1 A 21 21 ALA H H 21 8.860 8.454 0.406 1
1 254 . 16 1 1 A 21 21 ALA HA H 21 5.470 5.188 0.282 1
1 258 . 16 1 1 A 21 21 ALA C C 21 174.740 175.365 -0.625 1
1 259 . 16 1 1 A 21 21 ALA CA C 21 49.510 50.751 -1.241 1
1 260 . 16 1 1 A 21 21 ALA CB C 21 22.990 24.165 -1.175 1
1 261 . 16 1 1 A 21 21 ALA N N 21 120.460 122.413 -1.953 1
1 262 . 16 1 1 A 22 22 HIS H H 22 9.140 8.962 0.178 1
1 263 . 16 1 1 A 22 22 HIS HA H 22 5.070 5.083 -0.013 1
1 268 . 16 1 1 A 22 22 HIS C C 22 174.310 174.074 0.236 1
1 269 . 16 1 1 A 22 22 HIS CA C 22 54.040 54.234 -0.194 1
1 270 . 16 1 1 A 22 22 HIS CB C 22 32.390 32.648 -0.258 1
1 272 . 16 1 1 A 22 22 HIS N N 22 119.890 114.157 5.733 1
1 273 . 16 1 1 A 23 23 TRP H H 23 9.160 9.095 0.065 1
1 274 . 16 1 1 A 23 23 TRP HA H 23 4.360 4.829 -0.469 1
1 283 . 16 1 1 A 23 23 TRP C C 23 175.070 175.324 -0.254 1
1 284 . 16 1 1 A 23 23 TRP CA C 23 59.160 57.433 1.727 1
1 285 . 16 1 1 A 23 23 TRP CB C 23 30.710 30.188 0.522 1
1 291 . 16 1 1 A 23 23 TRP N N 23 126.610 127.170 -0.560 1
1 293 . 16 1 1 A 24 24 ASP H H 24 7.720 8.056 -0.336 1
1 294 . 16 1 1 A 24 24 ASP HA H 24 4.880 4.745 0.135 1
1 297 . 16 1 1 A 24 24 ASP C C 24 175.340 175.620 -0.280 1
1 298 . 16 1 1 A 24 24 ASP CA C 24 53.030 52.798 0.232 1
1 299 . 16 1 1 A 24 24 ASP CB C 24 43.510 42.311 1.199 1
1 300 . 16 1 1 A 24 24 ASP N N 24 126.750 127.903 -1.153 1
1 301 . 16 1 1 A 25 25 SER H H 25 8.490 8.528 -0.038 1
1 302 . 16 1 1 A 25 25 SER HA H 25 3.580 3.524 0.056 1
1 305 . 16 1 1 A 25 25 SER C C 25 175.340 176.508 -1.168 1
1 306 . 16 1 1 A 25 25 SER CA C 25 60.640 60.929 -0.289 1
1 307 . 16 1 1 A 25 25 SER CB C 25 62.990 62.478 0.512 1
1 308 . 16 1 1 A 25 25 SER N N 25 119.220 120.697 -1.477 1
1 309 . 16 1 1 A 26 26 GLY H H 26 8.670 8.097 0.573 1
1 310 . 16 1 1 A 26 26 GLY HA2 H 26 3.630 3.892 -0.262 1
1 311 . 16 1 1 A 26 26 GLY HA3 H 26 4.200 3.898 0.302 1
1 312 . 16 1 1 A 26 26 GLY C C 26 174.190 174.523 -0.333 1
1 313 . 16 1 1 A 26 26 GLY CA C 26 44.760 46.312 -1.552 1
1 314 . 16 1 1 A 26 26 GLY N N 26 109.290 107.419 1.871 1
1 315 . 16 1 1 A 27 27 ALA H H 27 7.550 7.407 0.143 1
1 316 . 16 1 1 A 27 27 ALA HA H 27 4.370 4.250 0.120 1
1 320 . 16 1 1 A 27 27 ALA C C 27 178.430 177.279 1.151 1
1 321 . 16 1 1 A 27 27 ALA CA C 27 52.240 51.600 0.640 1
1 322 . 16 1 1 A 27 27 ALA CB C 27 18.240 19.139 -0.899 1
1 323 . 16 1 1 A 27 27 ALA N N 27 124.840 123.201 1.639 1
1 324 . 16 1 1 A 28 28 THR H H 28 8.260 9.047 -0.787 1
1 325 . 16 1 1 A 28 28 THR HA H 28 4.230 4.416 -0.186 1
1 330 . 16 1 1 A 28 28 THR C C 28 173.830 174.730 -0.900 1
1 331 . 16 1 1 A 28 28 THR CA C 28 62.180 63.095 -0.915 1
1 332 . 16 1 1 A 28 28 THR CB C 28 69.240 69.584 -0.344 1
1 333 . 16 1 1 A 28 28 THR N N 28 112.480 117.529 -5.049 1
1 334 . 16 1 1 A 29 29 ILE H H 29 7.460 7.649 -0.189 1
1 335 . 16 1 1 A 29 29 ILE HA H 29 4.540 4.684 -0.144 1
1 345 . 16 1 1 A 29 29 ILE C C 29 173.440 174.372 -0.932 1
1 346 . 16 1 1 A 29 29 ILE CA C 29 60.540 59.476 1.064 1
1 347 . 16 1 1 A 29 29 ILE CB C 29 40.780 41.637 -0.857 1
1 351 . 16 1 1 A 29 29 ILE N N 29 118.820 120.845 -2.025 1
1 352 . 16 1 1 A 30 30 THR H H 30 9.380 8.689 0.691 1
1 353 . 16 1 1 A 30 30 THR HA H 30 4.870 4.414 0.456 1
1 358 . 16 1 1 A 30 30 THR C C 30 173.600 173.981 -0.381 1
1 359 . 16 1 1 A 30 30 THR CA C 30 64.280 63.679 0.601 1
1 360 . 16 1 1 A 30 30 THR CB C 30 69.840 69.605 0.235 1
1 361 . 16 1 1 A 30 30 THR N N 30 129.290 122.657 6.633 1
1 362 . 16 1 1 A 31 31 CYS H H 31 9.180 8.737 0.443 1
1 363 . 16 1 1 A 31 31 CYS HA H 31 5.530 5.139 0.391 1
1 366 . 16 1 1 A 31 31 CYS C C 31 174.420 173.915 0.505 1
1 367 . 16 1 1 A 31 31 CYS CA C 31 56.540 56.992 -0.452 1
1 368 . 16 1 1 A 31 31 CYS CB C 31 30.780 29.694 1.086 1
1 369 . 16 1 1 A 31 31 CYS N N 31 122.220 125.174 -2.954 1
1 370 . 16 1 1 A 32 32 VAL H H 32 9.090 8.839 0.251 1
1 371 . 16 1 1 A 32 32 VAL HA H 32 4.710 4.766 -0.056 1
1 379 . 16 1 1 A 32 32 VAL CA C 32 57.300 57.803 -0.503 1
1 380 . 16 1 1 A 32 32 VAL CB C 32 32.860 33.739 -0.879 1
1 383 . 16 1 1 A 32 32 VAL N N 32 117.890 118.837 -0.947 1
1 384 . 16 1 1 A 33 33 PRO HA H 33 4.530 5.241 -0.711 1
1 391 . 16 1 1 A 33 33 PRO C C 33 178.110 177.984 0.126 1
1 392 . 16 1 1 A 33 33 PRO CA C 33 64.140 62.553 1.587 1
1 393 . 16 1 1 A 33 33 PRO CB C 33 32.200 32.000 0.200 1
1 396 . 16 1 1 A 34 34 GLU H H 34 8.380 8.284 0.096 1
1 397 . 16 1 1 A 34 34 GLU HA H 34 3.730 3.873 -0.143 1
1 402 . 16 1 1 A 34 34 GLU C C 34 177.830 178.876 -1.046 1
1 403 . 16 1 1 A 34 34 GLU CA C 34 59.480 59.837 -0.357 1
1 404 . 16 1 1 A 34 34 GLU CB C 34 29.860 29.268 0.592 1
1 406 . 16 1 1 A 34 34 GLU N N 34 122.200 123.014 -0.814 1
1 407 . 16 1 1 A 35 35 ALA H H 35 9.050 8.155 0.895 1
1 408 . 16 1 1 A 35 35 ALA HA H 35 4.030 4.113 -0.083 1
1 412 . 16 1 1 A 35 35 ALA C C 35 180.250 179.337 0.913 1
1 413 . 16 1 1 A 35 35 ALA CA C 35 54.850 54.983 -0.133 1
1 414 . 16 1 1 A 35 35 ALA CB C 35 18.160 18.686 -0.526 1
1 415 . 16 1 1 A 35 35 ALA N N 35 123.090 121.847 1.243 1
1 416 . 16 1 1 A 36 36 PHE H H 36 7.510 8.288 -0.778 1
1 417 . 16 1 1 A 36 36 PHE HA H 36 4.370 4.444 -0.074 1
1 425 . 16 1 1 A 36 36 PHE C C 36 174.870 176.998 -2.128 1
1 426 . 16 1 1 A 36 36 PHE CA C 36 60.160 59.889 0.271 1
1 427 . 16 1 1 A 36 36 PHE CB C 36 38.930 38.559 0.371 1
1 433 . 16 1 1 A 36 36 PHE N N 36 112.030 114.861 -2.831 1
1 434 . 16 1 1 A 37 37 LEU H H 37 7.640 8.228 -0.588 1
1 435 . 16 1 1 A 37 37 LEU HA H 37 4.230 4.456 -0.226 1
1 445 . 16 1 1 A 37 37 LEU C C 37 177.380 177.340 0.040 1
1 446 . 16 1 1 A 37 37 LEU CA C 37 53.080 54.496 -1.416 1
1 447 . 16 1 1 A 37 37 LEU CB C 37 41.050 41.243 -0.193 1
1 451 . 16 1 1 A 37 37 LEU N N 37 116.800 118.960 -2.160 1
1 452 . 16 1 1 A 38 38 GLU H H 38 7.050 7.943 -0.893 1
1 453 . 16 1 1 A 38 38 GLU HA H 38 3.980 4.022 -0.042 1
1 458 . 16 1 1 A 38 38 GLU C C 38 176.630 177.826 -1.196 1
1 459 . 16 1 1 A 38 38 GLU CA C 38 59.250 59.717 -0.467 1
1 460 . 16 1 1 A 38 38 GLU CB C 38 29.870 29.369 0.501 1
1 462 . 16 1 1 A 38 38 GLU N N 38 121.260 120.707 0.553 1
1 463 . 16 1 1 A 39 39 ASP H H 39 8.690 8.335 0.355 1
1 464 . 16 1 1 A 39 39 ASP HA H 39 4.700 4.695 0.005 1
1 467 . 16 1 1 A 39 39 ASP C C 39 175.570 176.209 -0.639 1
1 468 . 16 1 1 A 39 39 ASP CA C 39 53.760 52.816 0.944 1
1 469 . 16 1 1 A 39 39 ASP CB C 39 40.010 39.834 0.176 1
1 470 . 16 1 1 A 39 39 ASP N N 39 115.590 115.605 -0.015 1
1 471 . 16 1 1 A 40 40 GLU H H 40 7.460 8.253 -0.793 1
1 472 . 16 1 1 A 40 40 GLU HA H 40 4.720 4.406 0.314 1
1 477 . 16 1 1 A 40 40 GLU C C 40 175.660 176.818 -1.158 1
1 478 . 16 1 1 A 40 40 GLU CA C 40 54.240 56.929 -2.689 1
1 479 . 16 1 1 A 40 40 GLU CB C 40 31.240 29.986 1.254 1
1 481 . 16 1 1 A 40 40 GLU N N 40 118.210 119.242 -1.032 1
1 482 . 16 1 1 A 41 41 ARG H H 41 9.130 8.721 0.409 1
1 483 . 16 1 1 A 41 41 ARG HA H 41 5.080 4.985 0.095 1
1 490 . 16 1 1 A 41 41 ARG CA C 41 52.540 53.618 -1.078 1
1 491 . 16 1 1 A 41 41 ARG CB C 41 31.240 31.044 0.196 1
1 494 . 16 1 1 A 41 41 ARG N N 41 121.830 124.776 -2.946 1
1 495 . 16 1 1 A 42 42 PRO HA H 42 3.840 4.367 -0.527 1
1 502 . 16 1 1 A 42 42 PRO C C 42 177.180 177.015 0.165 1
1 503 . 16 1 1 A 42 42 PRO CA C 42 63.010 62.377 0.633 1
1 504 . 16 1 1 A 42 42 PRO CB C 42 32.490 31.338 1.152 1
1 507 . 16 1 1 A 43 43 ILE H H 43 9.110 8.075 1.035 1
1 508 . 16 1 1 A 43 43 ILE HA H 43 4.410 4.218 0.192 1
1 518 . 16 1 1 A 43 43 ILE C C 43 176.220 176.111 0.109 1
1 519 . 16 1 1 A 43 43 ILE CA C 43 61.480 61.709 -0.229 1
1 520 . 16 1 1 A 43 43 ILE CB C 43 39.510 38.684 0.826 1
1 524 . 16 1 1 A 43 43 ILE N N 43 115.610 118.011 -2.401 1
1 525 . 16 1 1 A 44 44 GLN H H 44 7.750 7.125 0.625 1
1 526 . 16 1 1 A 44 44 GLN HA H 44 4.610 4.730 -0.120 1
1 533 . 16 1 1 A 44 44 GLN C C 44 173.610 174.365 -0.755 1
1 534 . 16 1 1 A 44 44 GLN CA C 44 55.140 54.481 0.659 1
1 535 . 16 1 1 A 44 44 GLN CB C 44 31.460 34.239 -2.779 1
1 537 . 16 1 1 A 44 44 GLN N N 44 118.360 119.761 -1.401 1
1 539 . 16 1 1 A 45 45 THR H H 45 8.560 8.718 -0.158 1
1 540 . 16 1 1 A 45 45 THR HA H 45 5.140 5.095 0.045 1
1 545 . 16 1 1 A 45 45 THR C C 45 177.830 173.527 4.303 1
1 546 . 16 1 1 A 45 45 THR CA C 45 61.450 59.939 1.511 1
1 547 . 16 1 1 A 45 45 THR CB C 45 71.380 71.720 -0.340 1
1 549 . 16 1 1 A 45 45 THR N N 45 115.470 112.185 3.285 1
1 550 . 16 1 1 A 46 46 MET H H 46 9.100 9.201 -0.101 1
1 551 . 16 1 1 A 46 46 MET HA H 46 4.730 5.016 -0.286 1
1 556 . 16 1 1 A 46 46 MET C C 46 173.520 173.868 -0.348 1
1 557 . 16 1 1 A 46 46 MET CA C 46 54.560 54.358 0.202 1
1 558 . 16 1 1 A 46 46 MET CB C 46 36.500 37.152 -0.652 1
1 560 . 16 1 1 A 46 46 MET N N 46 123.160 121.112 2.048 1
1 561 . 16 1 1 A 47 47 LEU H H 47 8.490 8.823 -0.333 1
1 562 . 16 1 1 A 47 47 LEU HA H 47 4.730 4.975 -0.245 1
1 572 . 16 1 1 A 47 47 LEU C C 47 176.210 174.736 1.474 1
1 573 . 16 1 1 A 47 47 LEU CA C 47 54.440 53.684 0.756 1
1 574 . 16 1 1 A 47 47 LEU CB C 47 42.540 44.456 -1.916 1
1 578 . 16 1 1 A 47 47 LEU N N 47 124.300 125.948 -1.648 1
1 579 . 16 1 1 A 48 48 ILE H H 48 8.990 9.519 -0.529 1
1 580 . 16 1 1 A 48 48 ILE HA H 48 4.430 4.768 -0.338 1
1 590 . 16 1 1 A 48 48 ILE C C 48 175.040 174.598 0.442 1
1 591 . 16 1 1 A 48 48 ILE CA C 48 59.150 59.983 -0.833 1
1 592 . 16 1 1 A 48 48 ILE CB C 48 39.910 40.496 -0.586 1
1 596 . 16 1 1 A 48 48 ILE N N 48 125.760 128.127 -2.367 1
1 597 . 16 1 1 A 49 49 LYS H H 49 8.710 8.935 -0.225 1
1 598 . 16 1 1 A 49 49 LYS HA H 49 4.550 5.014 -0.464 1
1 607 . 16 1 1 A 49 49 LYS C C 49 176.060 176.089 -0.029 1
1 608 . 16 1 1 A 49 49 LYS CA C 49 56.570 55.035 1.535 1
1 609 . 16 1 1 A 49 49 LYS CB C 49 33.010 34.702 -1.692 1
1 613 . 16 1 1 A 49 49 LYS N N 49 126.480 126.789 -0.309 1
1 614 . 16 1 1 A 50 50 THR H H 50 8.150 9.035 -0.885 1
1 615 . 16 1 1 A 50 50 THR HA H 50 4.860 4.990 -0.130 1
1 620 . 16 1 1 A 50 50 THR CA C 50 60.030 59.548 0.482 1
1 621 . 16 1 1 A 50 50 THR CB C 50 72.820 71.945 0.875 1
1 623 . 16 1 1 A 50 50 THR N N 50 116.220 114.593 1.627 1
1 624 . 16 1 1 A 51 51 ILE HA H 51 4.400 3.760 0.640 1
1 634 . 16 1 1 A 51 51 ILE C C 51 176.140 178.108 -1.968 1
1 635 . 16 1 1 A 51 51 ILE CA C 51 63.450 65.210 -1.760 1
1 636 . 16 1 1 A 51 51 ILE CB C 51 37.970 37.810 0.160 1
1 640 . 16 1 1 A 52 52 HIS H H 52 7.820 8.234 -0.414 1
1 641 . 16 1 1 A 52 52 HIS HA H 52 4.830 4.237 0.593 1
1 644 . 16 1 1 A 52 52 HIS C C 52 175.190 175.195 -0.005 1
1 645 . 16 1 1 A 52 52 HIS CA C 52 55.670 59.404 -3.734 1
1 646 . 16 1 1 A 52 52 HIS CB C 52 31.260 29.869 1.391 1
1 647 . 16 1 1 A 52 52 HIS N N 52 118.280 118.978 -0.698 1
1 648 . 16 1 1 A 53 53 GLY H H 53 7.590 7.449 0.141 1
1 649 . 16 1 1 A 53 53 GLY HA2 H 53 3.880 3.863 0.017 1
1 650 . 16 1 1 A 53 53 GLY HA3 H 53 4.510 3.874 0.636 1
1 651 . 16 1 1 A 53 53 GLY C C 53 173.360 171.478 1.882 1
1 652 . 16 1 1 A 53 53 GLY CA C 53 44.510 45.930 -1.420 1
1 653 . 16 1 1 A 53 53 GLY N N 53 108.490 104.430 4.060 1
1 654 . 16 1 1 A 54 54 GLU H H 54 8.710 8.511 0.199 1
1 655 . 16 1 1 A 54 54 GLU HA H 54 5.050 4.766 0.284 1
1 660 . 16 1 1 A 54 54 GLU C C 54 175.890 174.866 1.024 1
1 661 . 16 1 1 A 54 54 GLU CA C 54 55.980 55.668 0.312 1
1 662 . 16 1 1 A 54 54 GLU CB C 54 31.610 31.126 0.484 1
1 664 . 16 1 1 A 54 54 GLU N N 54 121.850 121.105 0.745 1
1 665 . 16 1 1 A 55 55 LYS H H 55 8.930 9.593 -0.663 1
1 666 . 16 1 1 A 55 55 LYS HA H 55 4.670 5.046 -0.376 1
1 675 . 16 1 1 A 55 55 LYS C C 55 174.630 174.032 0.598 1
1 676 . 16 1 1 A 55 55 LYS CA C 55 54.750 54.495 0.255 1
1 677 . 16 1 1 A 55 55 LYS CB C 55 35.910 36.004 -0.094 1
1 681 . 16 1 1 A 55 55 LYS N N 55 123.380 124.258 -0.878 1
1 682 . 16 1 1 A 56 56 GLN H H 56 8.670 8.888 -0.218 1
1 683 . 16 1 1 A 56 56 GLN HA H 56 4.820 5.078 -0.258 1
1 688 . 16 1 1 A 56 56 GLN C C 56 175.780 174.707 1.073 1
1 689 . 16 1 1 A 56 56 GLN CA C 56 55.500 54.176 1.324 1
1 690 . 16 1 1 A 56 56 GLN CB C 56 29.470 31.637 -2.167 1
1 692 . 16 1 1 A 56 56 GLN N N 56 122.950 127.372 -4.422 1
1 693 . 16 1 1 A 57 57 GLN H H 57 9.210 8.742 0.468 1
1 694 . 16 1 1 A 57 57 GLN HA H 57 4.740 5.034 -0.294 1
1 701 . 16 1 1 A 57 57 GLN C C 57 174.100 174.338 -0.238 1
1 702 . 16 1 1 A 57 57 GLN CA C 57 54.760 54.605 0.155 1
1 703 . 16 1 1 A 57 57 GLN CB C 57 32.670 32.058 0.612 1
1 705 . 16 1 1 A 57 57 GLN N N 57 125.030 125.355 -0.325 1
1 707 . 16 1 1 A 58 58 ASP H H 58 8.570 9.120 -0.550 1
1 708 . 16 1 1 A 58 58 ASP HA H 58 4.860 5.383 -0.523 1
1 711 . 16 1 1 A 58 58 ASP C C 58 173.690 175.456 -1.766 1
1 712 . 16 1 1 A 58 58 ASP CA C 58 55.090 52.804 2.286 1
1 713 . 16 1 1 A 58 58 ASP CB C 58 42.120 43.198 -1.078 1
1 714 . 16 1 1 A 58 58 ASP N N 58 124.680 122.015 2.665 1
1 715 . 16 1 1 A 59 59 VAL H H 59 8.480 9.176 -0.696 1
1 716 . 16 1 1 A 59 59 VAL HA H 59 4.610 4.778 -0.168 1
1 724 . 16 1 1 A 59 59 VAL C C 59 174.600 174.621 -0.021 1
1 725 . 16 1 1 A 59 59 VAL CA C 59 61.130 61.492 -0.362 1
1 726 . 16 1 1 A 59 59 VAL CB C 59 34.250 32.812 1.438 1
1 729 . 16 1 1 A 59 59 VAL N N 59 121.270 121.342 -0.072 1
1 730 . 16 1 1 A 60 60 TYR H H 60 9.390 9.270 0.120 1
1 731 . 16 1 1 A 60 60 TYR HA H 60 4.800 5.074 -0.274 1
1 738 . 16 1 1 A 60 60 TYR C C 60 173.840 174.204 -0.364 1
1 739 . 16 1 1 A 60 60 TYR CA C 60 56.840 56.610 0.230 1
1 740 . 16 1 1 A 60 60 TYR CB C 60 41.190 42.324 -1.134 1
1 745 . 16 1 1 A 60 60 TYR N N 60 125.760 126.629 -0.869 1
1 746 . 16 1 1 A 61 61 TYR H H 61 9.300 9.067 0.233 1
1 747 . 16 1 1 A 61 61 TYR HA H 61 5.370 5.313 0.057 1
1 754 . 16 1 1 A 61 61 TYR C C 61 174.300 174.181 0.119 1
1 755 . 16 1 1 A 61 61 TYR CA C 61 57.490 56.942 0.548 1
1 756 . 16 1 1 A 61 61 TYR CB C 61 40.900 40.954 -0.054 1
1 761 . 16 1 1 A 61 61 TYR N N 61 122.890 124.076 -1.186 1
1 762 . 16 1 1 A 62 62 LEU H H 62 8.770 8.894 -0.124 1
1 763 . 16 1 1 A 62 62 LEU HA H 62 4.780 5.200 -0.420 1
1 773 . 16 1 1 A 62 62 LEU C C 62 174.070 175.877 -1.807 1
1 774 . 16 1 1 A 62 62 LEU CA C 62 53.760 53.493 0.267 1
1 775 . 16 1 1 A 62 62 LEU CB C 62 49.020 45.639 3.381 1
1 779 . 16 1 1 A 62 62 LEU N N 62 129.700 128.962 0.738 1
1 780 . 16 1 1 A 63 63 THR H H 63 7.960 8.816 -0.856 1
1 781 . 16 1 1 A 63 63 THR HA H 63 5.410 5.081 0.329 1
1 786 . 16 1 1 A 63 63 THR C C 63 173.860 174.169 -0.309 1
1 787 . 16 1 1 A 63 63 THR CA C 63 60.850 61.280 -0.430 1
1 788 . 16 1 1 A 63 63 THR CB C 63 69.790 70.109 -0.319 1
1 790 . 16 1 1 A 63 63 THR N N 63 118.460 116.507 1.953 1
1 791 . 16 1 1 A 64 64 PHE H H 64 9.270 8.520 0.750 1
1 792 . 16 1 1 A 64 64 PHE HA H 64 5.100 5.500 -0.400 1
1 800 . 16 1 1 A 64 64 PHE C C 64 172.280 172.558 -0.278 1
1 801 . 16 1 1 A 64 64 PHE CA C 64 56.020 55.337 0.683 1
1 802 . 16 1 1 A 64 64 PHE CB C 64 38.350 41.909 -3.559 1
1 808 . 16 1 1 A 64 64 PHE N N 64 123.960 122.893 1.067 1
1 809 . 16 1 1 A 65 65 LYS H H 65 8.750 8.783 -0.033 1
1 810 . 16 1 1 A 65 65 LYS HA H 65 5.500 5.058 0.442 1
1 819 . 16 1 1 A 65 65 LYS C C 65 176.300 175.799 0.501 1
1 820 . 16 1 1 A 65 65 LYS CA C 65 54.900 56.156 -1.256 1
1 821 . 16 1 1 A 65 65 LYS CB C 65 37.730 33.591 4.139 1
1 825 . 16 1 1 A 65 65 LYS N N 65 117.930 120.098 -2.168 1
1 826 . 16 1 1 A 66 66 VAL H H 66 8.840 9.663 -0.823 1
1 827 . 16 1 1 A 66 66 VAL HA H 66 4.520 4.622 -0.102 1
1 835 . 16 1 1 A 66 66 VAL C C 66 175.550 176.013 -0.463 1
1 836 . 16 1 1 A 66 66 VAL CA C 66 62.130 61.299 0.831 1
1 837 . 16 1 1 A 66 66 VAL CB C 66 35.100 33.251 1.849 1
1 840 . 16 1 1 A 66 66 VAL N N 66 119.330 124.727 -5.397 1
1 841 . 16 1 1 A 67 67 GLN H H 67 9.690 9.571 0.119 1
1 842 . 16 1 1 A 67 67 GLN HA H 67 4.050 4.074 -0.024 1
1 849 . 16 1 1 A 67 67 GLN C C 67 176.300 175.959 0.341 1
1 850 . 16 1 1 A 67 67 GLN CA C 67 56.720 57.117 -0.397 1
1 851 . 16 1 1 A 67 67 GLN CB C 67 28.230 26.790 1.440 1
1 853 . 16 1 1 A 67 67 GLN N N 67 125.930 128.916 -2.986 1
1 855 . 16 1 1 A 68 68 GLY H H 68 8.980 8.567 0.413 1
1 856 . 16 1 1 A 68 68 GLY HA2 H 68 3.510 3.856 -0.346 1
1 857 . 16 1 1 A 68 68 GLY HA3 H 68 4.140 3.865 0.275 1
1 858 . 16 1 1 A 68 68 GLY C C 68 173.410 173.660 -0.250 1
1 859 . 16 1 1 A 68 68 GLY CA C 68 45.460 45.450 0.010 1
1 860 . 16 1 1 A 68 68 GLY N N 68 103.510 105.262 -1.752 1
1 861 . 16 1 1 A 69 69 ARG H H 69 8.070 7.694 0.376 1
1 862 . 16 1 1 A 69 69 ARG HA H 69 4.400 4.667 -0.267 1
1 869 . 16 1 1 A 69 69 ARG C C 69 174.880 175.193 -0.313 1
1 870 . 16 1 1 A 69 69 ARG CA C 69 54.730 54.433 0.297 1
1 871 . 16 1 1 A 69 69 ARG CB C 69 31.520 32.836 -1.316 1
1 874 . 16 1 1 A 69 69 ARG N N 69 122.680 120.426 2.254 1
1 875 . 16 1 1 A 70 70 LYS H H 70 8.390 8.580 -0.190 1
1 876 . 16 1 1 A 70 70 LYS HA H 70 4.220 4.411 -0.191 1
1 885 . 16 1 1 A 70 70 LYS C C 70 175.330 174.952 0.378 1
1 886 . 16 1 1 A 70 70 LYS CA C 70 57.860 56.645 1.215 1
1 887 . 16 1 1 A 70 70 LYS CB C 70 32.790 32.629 0.161 1
1 891 . 16 1 1 A 70 70 LYS N N 70 123.590 128.571 -4.981 1
1 892 . 16 1 1 A 71 71 VAL H H 71 9.050 8.359 0.691 1
1 893 . 16 1 1 A 71 71 VAL HA H 71 4.140 4.630 -0.490 1
1 901 . 16 1 1 A 71 71 VAL C C 71 173.310 174.184 -0.874 1
1 902 . 16 1 1 A 71 71 VAL CA C 71 61.370 60.401 0.969 1
1 903 . 16 1 1 A 71 71 VAL CB C 71 34.610 35.613 -1.003 1
1 906 . 16 1 1 A 71 71 VAL N N 71 128.340 127.177 1.163 1
1 907 . 16 1 1 A 72 72 GLU H H 72 8.150 8.647 -0.497 1
1 908 . 16 1 1 A 72 72 GLU HA H 72 4.970 4.975 -0.005 1
1 913 . 16 1 1 A 72 72 GLU C C 72 174.910 175.505 -0.595 1
1 914 . 16 1 1 A 72 72 GLU CA C 72 54.490 54.897 -0.407 1
1 915 . 16 1 1 A 72 72 GLU CB C 72 31.410 32.588 -1.178 1
1 917 . 16 1 1 A 72 72 GLU N N 72 124.430 125.339 -0.909 1
1 918 . 16 1 1 A 73 73 ALA H H 73 8.420 8.089 0.331 1
1 919 . 16 1 1 A 73 73 ALA HA H 73 4.770 4.756 0.014 1
1 923 . 16 1 1 A 73 73 ALA C C 73 175.140 176.048 -0.908 1
1 924 . 16 1 1 A 73 73 ALA CA C 73 51.050 50.929 0.121 1
1 925 . 16 1 1 A 73 73 ALA CB C 73 23.060 23.201 -0.141 1
1 926 . 16 1 1 A 73 73 ALA N N 73 124.790 122.466 2.324 1
1 927 . 16 1 1 A 74 74 GLU H H 74 8.520 8.466 0.054 1
1 928 . 16 1 1 A 74 74 GLU HA H 74 5.260 5.315 -0.055 1
1 933 . 16 1 1 A 74 74 GLU C C 74 176.570 176.680 -0.110 1
1 934 . 16 1 1 A 74 74 GLU CA C 74 55.770 57.014 -1.244 1
1 935 . 16 1 1 A 74 74 GLU CB C 74 29.840 30.158 -0.318 1
1 937 . 16 1 1 A 74 74 GLU N N 74 120.480 119.163 1.317 1
1 938 . 16 1 1 A 75 75 VAL H H 75 9.240 9.797 -0.557 1
1 939 . 16 1 1 A 75 75 VAL HA H 75 5.730 5.399 0.331 1
1 947 . 16 1 1 A 75 75 VAL C C 75 174.700 173.569 1.131 1
1 948 . 16 1 1 A 75 75 VAL CA C 75 57.950 58.920 -0.970 1
1 949 . 16 1 1 A 75 75 VAL CB C 75 36.540 36.013 0.527 1
1 952 . 16 1 1 A 75 75 VAL N N 75 113.070 118.986 -5.916 1
1 953 . 16 1 1 A 76 76 LEU H H 76 8.420 8.476 -0.056 1
1 954 . 16 1 1 A 76 76 LEU HA H 76 5.110 5.221 -0.111 1
1 964 . 16 1 1 A 76 76 LEU C C 76 176.970 175.160 1.810 1
1 965 . 16 1 1 A 76 76 LEU CA C 76 52.370 53.067 -0.697 1
1 966 . 16 1 1 A 76 76 LEU CB C 76 45.230 46.016 -0.786 1
1 970 . 16 1 1 A 76 76 LEU N N 76 117.790 124.720 -6.930 1
1 971 . 16 1 1 A 77 77 ALA H H 77 8.930 8.470 0.460 1
1 972 . 16 1 1 A 77 77 ALA HA H 77 4.500 4.772 -0.272 1
1 976 . 16 1 1 A 77 77 ALA C C 77 177.950 176.738 1.212 1
1 977 . 16 1 1 A 77 77 ALA CA C 77 52.090 51.653 0.437 1
1 978 . 16 1 1 A 77 77 ALA CB C 77 20.280 19.515 0.765 1
1 979 . 16 1 1 A 77 77 ALA N N 77 122.210 128.689 -6.479 1
1 980 . 16 1 1 A 78 78 SER H H 78 8.380 8.835 -0.455 1
1 981 . 16 1 1 A 78 78 SER HA H 78 5.010 4.916 0.094 1
1 984 . 16 1 1 A 78 78 SER CA C 78 54.230 55.085 -0.855 1
1 985 . 16 1 1 A 78 78 SER CB C 78 66.050 65.901 0.149 1
1 986 . 16 1 1 A 78 78 SER N N 78 117.830 117.826 0.004 1
1 987 . 16 1 1 A 79 79 PRO HA H 79 4.660 4.452 0.208 1
1 994 . 16 1 1 A 79 79 PRO C C 79 176.150 175.963 0.187 1
1 995 . 16 1 1 A 79 79 PRO CA C 79 62.860 63.405 -0.545 1
1 996 . 16 1 1 A 79 79 PRO CB C 79 31.230 31.521 -0.291 1
1 999 . 16 1 1 A 80 80 TYR H H 80 7.380 7.146 0.234 1
1 1000 . 16 1 1 A 80 80 TYR HA H 80 4.710 4.666 0.044 1
1 1007 . 16 1 1 A 80 80 TYR C C 80 175.550 175.835 -0.285 1
1 1008 . 16 1 1 A 80 80 TYR CA C 80 56.150 57.969 -1.819 1
1 1009 . 16 1 1 A 80 80 TYR CB C 80 38.490 39.211 -0.721 1
1 1014 . 16 1 1 A 80 80 TYR N N 80 120.860 120.344 0.516 1
1 1015 . 16 1 1 A 81 81 ASP H H 81 8.290 9.154 -0.864 1
1 1016 . 16 1 1 A 81 81 ASP HA H 81 4.640 4.989 -0.349 1
1 1019 . 16 1 1 A 81 81 ASP C C 81 175.290 175.150 0.140 1
1 1020 . 16 1 1 A 81 81 ASP CA C 81 53.560 53.217 0.343 1
1 1021 . 16 1 1 A 81 81 ASP CB C 81 40.650 41.234 -0.584 1
1 1022 . 16 1 1 A 81 81 ASP N N 81 115.600 118.877 -3.277 1
1 1023 . 16 1 1 A 82 82 TYR H H 82 6.680 7.627 -0.947 1
1 1024 . 16 1 1 A 82 82 TYR HA H 82 5.160 5.046 0.114 1
1 1031 . 16 1 1 A 82 82 TYR C C 82 173.930 172.855 1.075 1
1 1032 . 16 1 1 A 82 82 TYR CA C 82 53.190 55.986 -2.796 1
1 1033 . 16 1 1 A 82 82 TYR CB C 82 40.820 41.308 -0.488 1
1 1038 . 16 1 1 A 82 82 TYR N N 82 116.100 116.224 -0.124 1
1 1039 . 16 1 1 A 83 83 ILE H H 83 8.900 8.655 0.245 1
1 1040 . 16 1 1 A 83 83 ILE HA H 83 4.480 4.609 -0.129 1
1 1050 . 16 1 1 A 83 83 ILE C C 83 175.160 174.754 0.406 1
1 1051 . 16 1 1 A 83 83 ILE CA C 83 60.940 59.425 1.515 1
1 1052 . 16 1 1 A 83 83 ILE CB C 83 40.980 41.476 -0.496 1
1 1056 . 16 1 1 A 83 83 ILE N N 83 119.050 119.218 -0.168 1
1 1057 . 16 1 1 A 84 84 LEU H H 84 8.740 9.806 -1.066 1
1 1058 . 16 1 1 A 84 84 LEU HA H 84 5.140 5.269 -0.129 1
1 1068 . 16 1 1 A 84 84 LEU C C 84 174.920 175.561 -0.641 1
1 1069 . 16 1 1 A 84 84 LEU CA C 84 53.800 53.512 0.288 1
1 1070 . 16 1 1 A 84 84 LEU CB C 84 44.100 42.786 1.314 1
1 1074 . 16 1 1 A 84 84 LEU N N 84 130.660 126.548 4.112 1
1 1075 . 16 1 1 A 85 85 LEU H H 85 9.010 9.019 -0.009 1
1 1076 . 16 1 1 A 85 85 LEU HA H 85 4.470 4.916 -0.446 1
1 1086 . 16 1 1 A 85 85 LEU C C 85 174.660 176.189 -1.529 1
1 1087 . 16 1 1 A 85 85 LEU CA C 85 54.080 53.331 0.749 1
1 1088 . 16 1 1 A 85 85 LEU CB C 85 44.350 44.116 0.234 1
1 1092 . 16 1 1 A 85 85 LEU N N 85 125.210 124.602 0.608 1
1 1093 . 16 1 1 A 86 86 ASN H H 86 8.370 8.638 -0.268 1
1 1094 . 16 1 1 A 86 86 ASN HA H 86 4.680 4.895 -0.215 1
1 1099 . 16 1 1 A 86 86 ASN CA C 86 49.780 50.820 -1.040 1
1 1100 . 16 1 1 A 86 86 ASN CB C 86 38.890 39.331 -0.441 1
1 1101 . 16 1 1 A 86 86 ASN N N 86 122.970 121.616 1.354 1
1 1103 . 16 1 1 A 87 87 PRO HA H 87 3.600 4.638 -1.038 1
1 1110 . 16 1 1 A 87 87 PRO C C 87 178.740 177.572 1.168 1
1 1111 . 16 1 1 A 87 87 PRO CA C 87 65.050 64.421 0.629 1
1 1112 . 16 1 1 A 87 87 PRO CB C 87 33.160 31.916 1.244 1
1 1115 . 16 1 1 A 88 88 SER H H 88 7.580 8.160 -0.580 1
1 1116 . 16 1 1 A 88 88 SER HA H 88 4.100 4.233 -0.133 1
1 1119 . 16 1 1 A 88 88 SER C C 88 175.480 176.887 -1.407 1
1 1120 . 16 1 1 A 88 88 SER CA C 88 60.730 61.011 -0.281 1
1 1121 . 16 1 1 A 88 88 SER CB C 88 62.870 62.514 0.356 1
1 1122 . 16 1 1 A 88 88 SER N N 88 109.530 112.461 -2.931 1
1 1123 . 16 1 1 A 89 89 ASP H H 89 8.170 8.177 -0.007 1
1 1124 . 16 1 1 A 89 89 ASP HA H 89 4.770 4.596 0.174 1
1 1127 . 16 1 1 A 89 89 ASP C C 89 175.730 177.140 -1.410 1
1 1128 . 16 1 1 A 89 89 ASP CA C 89 56.030 56.714 -0.684 1
1 1129 . 16 1 1 A 89 89 ASP CB C 89 41.380 41.415 -0.035 1
1 1130 . 16 1 1 A 89 89 ASP N N 89 118.600 120.579 -1.979 1
1 1131 . 16 1 1 A 90 90 VAL H H 90 7.050 7.316 -0.266 1
1 1132 . 16 1 1 A 90 90 VAL HA H 90 4.050 2.854 1.196 1
1 1140 . 16 1 1 A 90 90 VAL CA C 90 56.960 58.334 -1.374 1
1 1141 . 16 1 1 A 90 90 VAL CB C 90 31.710 31.261 0.449 1
1 1144 . 16 1 1 A 90 90 VAL N N 90 109.580 112.516 -2.936 1
1 1145 . 16 1 1 A 91 91 PRO HA H 91 4.250 4.425 -0.175 1
1 1152 . 16 1 1 A 91 91 PRO C C 91 176.870 177.667 -0.797 1
1 1153 . 16 1 1 A 91 91 PRO CA C 91 65.190 64.429 0.761 1
1 1154 . 16 1 1 A 91 91 PRO CB C 91 31.470 31.870 -0.400 1
1 1157 . 16 1 1 A 92 92 TRP H H 92 6.720 7.620 -0.900 1
1 1158 . 16 1 1 A 92 92 TRP HA H 92 4.570 4.453 0.117 1
1 1167 . 16 1 1 A 92 92 TRP C C 92 176.630 178.230 -1.600 1
1 1168 . 16 1 1 A 92 92 TRP CA C 92 56.910 59.934 -3.024 1
1 1169 . 16 1 1 A 92 92 TRP CB C 92 27.990 28.495 -0.505 1
1 1175 . 16 1 1 A 92 92 TRP N N 92 115.110 117.942 -2.832 1
1 1177 . 16 1 1 A 93 93 LEU H H 93 7.150 7.288 -0.138 1
1 1178 . 16 1 1 A 93 93 LEU HA H 93 4.220 3.901 0.319 1
1 1188 . 16 1 1 A 93 93 LEU C C 93 176.210 176.434 -0.224 1
1 1189 . 16 1 1 A 93 93 LEU CA C 93 55.350 57.734 -2.384 1
1 1190 . 16 1 1 A 93 93 LEU CB C 93 42.190 41.545 0.645 1
1 1194 . 16 1 1 A 93 93 LEU N N 93 123.090 123.536 -0.446 1
1 1195 . 16 1 1 A 94 94 MET H H 94 7.730 7.646 0.084 1
1 1196 . 16 1 1 A 94 94 MET HA H 94 4.340 4.422 -0.082 1
1 1201 . 16 1 1 A 94 94 MET C C 94 175.550 176.697 -1.147 1
1 1202 . 16 1 1 A 94 94 MET CA C 94 55.120 54.808 0.312 1
1 1203 . 16 1 1 A 94 94 MET CB C 94 32.630 32.728 -0.098 1
1 1205 . 16 1 1 A 94 94 MET N N 94 118.250 116.817 1.433 1
1 1206 . 16 1 1 A 95 95 LYS H H 95 7.950 8.584 -0.634 1
1 1207 . 16 1 1 A 95 95 LYS HA H 95 4.260 4.094 0.166 1
1 1210 . 16 1 1 A 95 95 LYS C C 95 176.130 176.579 -0.449 1
1 1211 . 16 1 1 A 95 95 LYS CA C 95 56.150 58.501 -2.351 1
1 1212 . 16 1 1 A 95 95 LYS CB C 95 33.010 32.833 0.177 1
1 1213 . 16 1 1 A 95 95 LYS N N 95 121.650 124.321 -2.671 1
1 1214 . 16 1 1 A 96 96 LYS H H 96 8.260 7.668 0.592 1
1 1215 . 16 1 1 A 96 96 LYS N N 96 123.570 114.905 8.665 1
1 1216 . 16 1 1 A 97 97 PRO HA H 97 4.530 4.593 -0.063 1
1 1219 . 16 1 1 A 97 97 PRO C C 97 176.830 176.074 0.756 1
1 1220 . 16 1 1 A 97 97 PRO CA C 97 63.180 62.237 0.943 1
1 1221 . 16 1 1 A 97 97 PRO CB C 97 32.050 32.878 -0.828 1
1 88 . 17 1 1 A 9 9 PRO HA H 9 4.410 4.449 -0.039 1
1 95 . 17 1 1 A 9 9 PRO C C 9 176.460 177.092 -0.632 1
1 96 . 17 1 1 A 9 9 PRO CA C 9 63.030 62.367 0.663 1
1 97 . 17 1 1 A 9 9 PRO CB C 9 32.210 31.630 0.580 1
1 100 . 17 1 1 A 10 10 LEU H H 10 9.190 8.639 0.551 1
1 101 . 17 1 1 A 10 10 LEU HA H 10 4.640 4.535 0.105 1
1 111 . 17 1 1 A 10 10 LEU C C 10 176.620 177.272 -0.652 1
1 112 . 17 1 1 A 10 10 LEU CA C 10 53.420 54.202 -0.782 1
1 113 . 17 1 1 A 10 10 LEU CB C 10 44.290 42.369 1.921 1
1 117 . 17 1 1 A 10 10 LEU N N 10 123.060 122.987 0.073 1
1 118 . 17 1 1 A 11 11 GLU H H 11 8.720 8.648 0.072 1
1 119 . 17 1 1 A 11 11 GLU HA H 11 4.490 4.870 -0.380 1
1 124 . 17 1 1 A 11 11 GLU C C 11 176.620 176.109 0.511 1
1 125 . 17 1 1 A 11 11 GLU CA C 11 57.060 56.025 1.035 1
1 126 . 17 1 1 A 11 11 GLU CB C 11 30.820 30.802 0.018 1
1 128 . 17 1 1 A 11 11 GLU N N 11 121.330 121.595 -0.265 1
1 129 . 17 1 1 A 12 12 ALA H H 12 8.760 8.647 0.113 1
1 130 . 17 1 1 A 12 12 ALA HA H 12 5.390 5.182 0.208 1
1 134 . 17 1 1 A 12 12 ALA C C 12 176.040 175.277 0.763 1
1 135 . 17 1 1 A 12 12 ALA CA C 12 50.350 51.162 -0.812 1
1 136 . 17 1 1 A 12 12 ALA CB C 12 24.490 23.696 0.794 1
1 137 . 17 1 1 A 12 12 ALA N N 12 127.010 123.633 3.377 1
1 138 . 17 1 1 A 13 13 GLU H H 13 8.850 8.755 0.095 1
1 139 . 17 1 1 A 13 13 GLU HA H 13 5.240 5.573 -0.333 1
1 144 . 17 1 1 A 13 13 GLU C C 13 175.320 175.307 0.013 1
1 145 . 17 1 1 A 13 13 GLU CA C 13 55.580 54.985 0.595 1
1 146 . 17 1 1 A 13 13 GLU CB C 13 34.410 32.352 2.058 1
1 148 . 17 1 1 A 13 13 GLU N N 13 119.980 119.435 0.545 1
1 149 . 17 1 1 A 14 14 ILE H H 14 8.420 8.627 -0.207 1
1 150 . 17 1 1 A 14 14 ILE HA H 14 4.210 4.594 -0.384 1
1 160 . 17 1 1 A 14 14 ILE C C 14 174.520 175.884 -1.364 1
1 161 . 17 1 1 A 14 14 ILE CA C 14 61.000 59.861 1.139 1
1 162 . 17 1 1 A 14 14 ILE CB C 14 40.430 39.467 0.963 1
1 166 . 17 1 1 A 14 14 ILE N N 14 123.990 125.062 -1.072 1
1 167 . 17 1 1 A 15 15 LYS H H 15 9.590 9.095 0.495 1
1 168 . 17 1 1 A 15 15 LYS HA H 15 3.880 4.048 -0.168 1
1 177 . 17 1 1 A 15 15 LYS C C 15 176.880 176.691 0.189 1
1 178 . 17 1 1 A 15 15 LYS CA C 15 57.890 57.539 0.351 1
1 179 . 17 1 1 A 15 15 LYS CB C 15 30.550 30.391 0.159 1
1 183 . 17 1 1 A 15 15 LYS N N 15 124.930 128.478 -3.548 1
1 184 . 17 1 1 A 16 16 GLY H H 16 8.730 8.440 0.290 1
1 185 . 17 1 1 A 16 16 GLY HA2 H 16 3.670 3.892 -0.222 1
1 186 . 17 1 1 A 16 16 GLY HA3 H 16 4.230 3.899 0.331 1
1 187 . 17 1 1 A 16 16 GLY C C 16 174.360 174.467 -0.107 1
1 188 . 17 1 1 A 16 16 GLY CA C 16 45.540 45.254 0.286 1
1 189 . 17 1 1 A 16 16 GLY N N 16 104.580 105.858 -1.278 1
1 190 . 17 1 1 A 17 17 THR H H 17 8.400 7.875 0.525 1
1 191 . 17 1 1 A 17 17 THR HA H 17 4.490 4.269 0.221 1
1 196 . 17 1 1 A 17 17 THR C C 17 172.970 174.105 -1.135 1
1 197 . 17 1 1 A 17 17 THR CA C 17 62.580 63.472 -0.892 1
1 198 . 17 1 1 A 17 17 THR CB C 17 70.320 69.562 0.758 1
1 200 . 17 1 1 A 17 17 THR N N 17 120.070 116.507 3.563 1
1 201 . 17 1 1 A 18 18 LYS H H 18 8.750 8.614 0.136 1
1 202 . 17 1 1 A 18 18 LYS HA H 18 4.920 4.753 0.167 1
1 211 . 17 1 1 A 18 18 LYS C C 18 175.860 176.069 -0.209 1
1 212 . 17 1 1 A 18 18 LYS CA C 18 56.350 56.099 0.251 1
1 213 . 17 1 1 A 18 18 LYS CB C 18 32.940 33.689 -0.749 1
1 217 . 17 1 1 A 18 18 LYS N N 18 127.270 127.098 0.172 1
1 218 . 17 1 1 A 19 19 LEU H H 19 8.750 8.823 -0.073 1
1 219 . 17 1 1 A 19 19 LEU HA H 19 4.850 4.917 -0.067 1
1 229 . 17 1 1 A 19 19 LEU C C 19 174.210 175.850 -1.640 1
1 230 . 17 1 1 A 19 19 LEU CA C 19 55.160 53.291 1.869 1
1 231 . 17 1 1 A 19 19 LEU CB C 19 43.340 45.690 -2.350 1
1 235 . 17 1 1 A 19 19 LEU N N 19 123.470 122.322 1.148 1
1 236 . 17 1 1 A 20 20 LYS H H 20 8.660 8.375 0.285 1
1 237 . 17 1 1 A 20 20 LYS HA H 20 5.180 4.807 0.373 1
1 246 . 17 1 1 A 20 20 LYS C C 20 175.650 175.612 0.038 1
1 247 . 17 1 1 A 20 20 LYS CA C 20 54.630 55.536 -0.906 1
1 248 . 17 1 1 A 20 20 LYS CB C 20 34.710 34.015 0.695 1
1 252 . 17 1 1 A 20 20 LYS N N 20 118.320 120.681 -2.361 1
1 253 . 17 1 1 A 21 21 ALA H H 21 8.860 9.107 -0.247 1
1 254 . 17 1 1 A 21 21 ALA HA H 21 5.470 5.383 0.087 1
1 258 . 17 1 1 A 21 21 ALA C C 21 174.740 175.582 -0.842 1
1 259 . 17 1 1 A 21 21 ALA CA C 21 49.510 50.408 -0.898 1
1 260 . 17 1 1 A 21 21 ALA CB C 21 22.990 24.244 -1.254 1
1 261 . 17 1 1 A 21 21 ALA N N 21 120.460 122.680 -2.220 1
1 262 . 17 1 1 A 22 22 HIS H H 22 9.140 8.907 0.233 1
1 263 . 17 1 1 A 22 22 HIS HA H 22 5.070 5.152 -0.082 1
1 268 . 17 1 1 A 22 22 HIS C C 22 174.310 173.822 0.488 1
1 269 . 17 1 1 A 22 22 HIS CA C 22 54.040 53.731 0.309 1
1 270 . 17 1 1 A 22 22 HIS CB C 22 32.390 33.336 -0.946 1
1 272 . 17 1 1 A 22 22 HIS N N 22 119.890 114.924 4.966 1
1 273 . 17 1 1 A 23 23 TRP H H 23 9.160 9.122 0.038 1
1 274 . 17 1 1 A 23 23 TRP HA H 23 4.360 4.840 -0.480 1
1 283 . 17 1 1 A 23 23 TRP C C 23 175.070 174.481 0.589 1
1 284 . 17 1 1 A 23 23 TRP CA C 23 59.160 56.258 2.902 1
1 285 . 17 1 1 A 23 23 TRP CB C 23 30.710 30.357 0.353 1
1 291 . 17 1 1 A 23 23 TRP N N 23 126.610 125.869 0.741 1
1 293 . 17 1 1 A 24 24 ASP H H 24 7.720 8.088 -0.368 1
1 294 . 17 1 1 A 24 24 ASP HA H 24 4.880 4.783 0.097 1
1 297 . 17 1 1 A 24 24 ASP C C 24 175.340 175.810 -0.470 1
1 298 . 17 1 1 A 24 24 ASP CA C 24 53.030 52.164 0.866 1
1 299 . 17 1 1 A 24 24 ASP CB C 24 43.510 42.101 1.409 1
1 300 . 17 1 1 A 24 24 ASP N N 24 126.750 128.535 -1.785 1
1 301 . 17 1 1 A 25 25 SER H H 25 8.490 8.366 0.124 1
1 302 . 17 1 1 A 25 25 SER HA H 25 3.580 3.436 0.144 1
1 305 . 17 1 1 A 25 25 SER C C 25 175.340 176.780 -1.440 1
1 306 . 17 1 1 A 25 25 SER CA C 25 60.640 60.901 -0.261 1
1 307 . 17 1 1 A 25 25 SER CB C 25 62.990 62.662 0.328 1
1 308 . 17 1 1 A 25 25 SER N N 25 119.220 120.904 -1.684 1
1 309 . 17 1 1 A 26 26 GLY H H 26 8.670 7.963 0.707 1
1 310 . 17 1 1 A 26 26 GLY HA2 H 26 3.630 3.812 -0.182 1
1 311 . 17 1 1 A 26 26 GLY HA3 H 26 4.200 3.818 0.382 1
1 312 . 17 1 1 A 26 26 GLY C C 26 174.190 174.826 -0.636 1
1 313 . 17 1 1 A 26 26 GLY CA C 26 44.760 47.067 -2.307 1
1 314 . 17 1 1 A 26 26 GLY N N 26 109.290 107.603 1.687 1
1 315 . 17 1 1 A 27 27 ALA H H 27 7.550 7.237 0.313 1
1 316 . 17 1 1 A 27 27 ALA HA H 27 4.370 4.258 0.112 1
1 320 . 17 1 1 A 27 27 ALA C C 27 178.430 177.188 1.242 1
1 321 . 17 1 1 A 27 27 ALA CA C 27 52.240 52.400 -0.160 1
1 322 . 17 1 1 A 27 27 ALA CB C 27 18.240 19.453 -1.213 1
1 323 . 17 1 1 A 27 27 ALA N N 27 124.840 123.080 1.760 1
1 324 . 17 1 1 A 28 28 THR H H 28 8.260 9.058 -0.798 1
1 325 . 17 1 1 A 28 28 THR HA H 28 4.230 4.442 -0.212 1
1 330 . 17 1 1 A 28 28 THR C C 28 173.830 174.563 -0.733 1
1 331 . 17 1 1 A 28 28 THR CA C 28 62.180 63.046 -0.866 1
1 332 . 17 1 1 A 28 28 THR CB C 28 69.240 69.507 -0.267 1
1 333 . 17 1 1 A 28 28 THR N N 28 112.480 116.745 -4.265 1
1 334 . 17 1 1 A 29 29 ILE H H 29 7.460 7.633 -0.173 1
1 335 . 17 1 1 A 29 29 ILE HA H 29 4.540 4.710 -0.170 1
1 345 . 17 1 1 A 29 29 ILE C C 29 173.440 174.468 -1.028 1
1 346 . 17 1 1 A 29 29 ILE CA C 29 60.540 59.638 0.902 1
1 347 . 17 1 1 A 29 29 ILE CB C 29 40.780 42.121 -1.341 1
1 351 . 17 1 1 A 29 29 ILE N N 29 118.820 120.166 -1.346 1
1 352 . 17 1 1 A 30 30 THR H H 30 9.380 8.240 1.140 1
1 353 . 17 1 1 A 30 30 THR HA H 30 4.870 4.141 0.729 1
1 358 . 17 1 1 A 30 30 THR C C 30 173.600 173.891 -0.291 1
1 359 . 17 1 1 A 30 30 THR CA C 30 64.280 63.754 0.526 1
1 360 . 17 1 1 A 30 30 THR CB C 30 69.840 69.412 0.428 1
1 361 . 17 1 1 A 30 30 THR N N 30 129.290 120.728 8.562 1
1 362 . 17 1 1 A 31 31 CYS H H 31 9.180 8.260 0.920 1
1 363 . 17 1 1 A 31 31 CYS HA H 31 5.530 5.138 0.392 1
1 366 . 17 1 1 A 31 31 CYS C C 31 174.420 173.289 1.131 1
1 367 . 17 1 1 A 31 31 CYS CA C 31 56.540 56.881 -0.341 1
1 368 . 17 1 1 A 31 31 CYS CB C 31 30.780 29.911 0.869 1
1 369 . 17 1 1 A 31 31 CYS N N 31 122.220 125.809 -3.589 1
1 370 . 17 1 1 A 32 32 VAL H H 32 9.090 8.839 0.251 1
1 371 . 17 1 1 A 32 32 VAL HA H 32 4.710 4.791 -0.081 1
1 379 . 17 1 1 A 32 32 VAL CA C 32 57.300 57.995 -0.695 1
1 380 . 17 1 1 A 32 32 VAL CB C 32 32.860 33.469 -0.609 1
1 383 . 17 1 1 A 32 32 VAL N N 32 117.890 120.975 -3.085 1
1 384 . 17 1 1 A 33 33 PRO HA H 33 4.530 5.265 -0.735 1
1 391 . 17 1 1 A 33 33 PRO C C 33 178.110 177.791 0.319 1
1 392 . 17 1 1 A 33 33 PRO CA C 33 64.140 62.557 1.583 1
1 393 . 17 1 1 A 33 33 PRO CB C 33 32.200 32.005 0.195 1
1 396 . 17 1 1 A 34 34 GLU H H 34 8.380 8.659 -0.279 1
1 397 . 17 1 1 A 34 34 GLU HA H 34 3.730 3.926 -0.196 1
1 402 . 17 1 1 A 34 34 GLU C C 34 177.830 178.280 -0.450 1
1 403 . 17 1 1 A 34 34 GLU CA C 34 59.480 59.579 -0.099 1
1 404 . 17 1 1 A 34 34 GLU CB C 34 29.860 29.389 0.471 1
1 406 . 17 1 1 A 34 34 GLU N N 34 122.200 124.618 -2.418 1
1 407 . 17 1 1 A 35 35 ALA H H 35 9.050 8.100 0.950 1
1 408 . 17 1 1 A 35 35 ALA HA H 35 4.030 4.061 -0.031 1
1 412 . 17 1 1 A 35 35 ALA C C 35 180.250 179.277 0.973 1
1 413 . 17 1 1 A 35 35 ALA CA C 35 54.850 54.884 -0.034 1
1 414 . 17 1 1 A 35 35 ALA CB C 35 18.160 18.513 -0.353 1
1 415 . 17 1 1 A 35 35 ALA N N 35 123.090 121.973 1.117 1
1 416 . 17 1 1 A 36 36 PHE H H 36 7.510 8.272 -0.762 1
1 417 . 17 1 1 A 36 36 PHE HA H 36 4.370 4.472 -0.102 1
1 425 . 17 1 1 A 36 36 PHE C C 36 174.870 176.872 -2.002 1
1 426 . 17 1 1 A 36 36 PHE CA C 36 60.160 59.889 0.271 1
1 427 . 17 1 1 A 36 36 PHE CB C 36 38.930 38.096 0.834 1
1 433 . 17 1 1 A 36 36 PHE N N 36 112.030 114.878 -2.848 1
1 434 . 17 1 1 A 37 37 LEU H H 37 7.640 8.071 -0.431 1
1 435 . 17 1 1 A 37 37 LEU HA H 37 4.230 4.551 -0.321 1
1 445 . 17 1 1 A 37 37 LEU C C 37 177.380 177.277 0.103 1
1 446 . 17 1 1 A 37 37 LEU CA C 37 53.080 54.482 -1.402 1
1 447 . 17 1 1 A 37 37 LEU CB C 37 41.050 41.264 -0.214 1
1 451 . 17 1 1 A 37 37 LEU N N 37 116.800 118.679 -1.879 1
1 452 . 17 1 1 A 38 38 GLU H H 38 7.050 7.949 -0.899 1
1 453 . 17 1 1 A 38 38 GLU HA H 38 3.980 4.037 -0.057 1
1 458 . 17 1 1 A 38 38 GLU C C 38 176.630 177.681 -1.051 1
1 459 . 17 1 1 A 38 38 GLU CA C 38 59.250 59.657 -0.407 1
1 460 . 17 1 1 A 38 38 GLU CB C 38 29.870 29.467 0.403 1
1 462 . 17 1 1 A 38 38 GLU N N 38 121.260 121.071 0.189 1
1 463 . 17 1 1 A 39 39 ASP H H 39 8.690 7.800 0.890 1
1 464 . 17 1 1 A 39 39 ASP HA H 39 4.700 4.876 -0.176 1
1 467 . 17 1 1 A 39 39 ASP C C 39 175.570 175.393 0.177 1
1 468 . 17 1 1 A 39 39 ASP CA C 39 53.760 53.911 -0.151 1
1 469 . 17 1 1 A 39 39 ASP CB C 39 40.010 41.221 -1.211 1
1 470 . 17 1 1 A 39 39 ASP N N 39 115.590 116.912 -1.322 1
1 471 . 17 1 1 A 40 40 GLU H H 40 7.460 8.062 -0.602 1
1 472 . 17 1 1 A 40 40 GLU HA H 40 4.720 4.416 0.304 1
1 477 . 17 1 1 A 40 40 GLU C C 40 175.660 176.817 -1.157 1
1 478 . 17 1 1 A 40 40 GLU CA C 40 54.240 56.947 -2.707 1
1 479 . 17 1 1 A 40 40 GLU CB C 40 31.240 29.940 1.300 1
1 481 . 17 1 1 A 40 40 GLU N N 40 118.210 119.246 -1.036 1
1 482 . 17 1 1 A 41 41 ARG H H 41 9.130 8.774 0.356 1
1 483 . 17 1 1 A 41 41 ARG HA H 41 5.080 4.995 0.085 1
1 490 . 17 1 1 A 41 41 ARG CA C 41 52.540 53.486 -0.946 1
1 491 . 17 1 1 A 41 41 ARG CB C 41 31.240 31.058 0.182 1
1 494 . 17 1 1 A 41 41 ARG N N 41 121.830 124.516 -2.686 1
1 495 . 17 1 1 A 42 42 PRO HA H 42 3.840 4.405 -0.565 1
1 502 . 17 1 1 A 42 42 PRO C C 42 177.180 177.054 0.126 1
1 503 . 17 1 1 A 42 42 PRO CA C 42 63.010 62.234 0.776 1
1 504 . 17 1 1 A 42 42 PRO CB C 42 32.490 31.409 1.081 1
1 507 . 17 1 1 A 43 43 ILE H H 43 9.110 8.177 0.933 1
1 508 . 17 1 1 A 43 43 ILE HA H 43 4.410 4.220 0.190 1
1 518 . 17 1 1 A 43 43 ILE C C 43 176.220 176.307 -0.087 1
1 519 . 17 1 1 A 43 43 ILE CA C 43 61.480 61.812 -0.332 1
1 520 . 17 1 1 A 43 43 ILE CB C 43 39.510 38.641 0.869 1
1 524 . 17 1 1 A 43 43 ILE N N 43 115.610 118.488 -2.878 1
1 525 . 17 1 1 A 44 44 GLN H H 44 7.750 7.076 0.674 1
1 526 . 17 1 1 A 44 44 GLN HA H 44 4.610 4.763 -0.153 1
1 533 . 17 1 1 A 44 44 GLN C C 44 173.610 174.488 -0.878 1
1 534 . 17 1 1 A 44 44 GLN CA C 44 55.140 53.909 1.231 1
1 535 . 17 1 1 A 44 44 GLN CB C 44 31.460 33.134 -1.674 1
1 537 . 17 1 1 A 44 44 GLN N N 44 118.360 120.130 -1.770 1
1 539 . 17 1 1 A 45 45 THR H H 45 8.560 8.718 -0.158 1
1 540 . 17 1 1 A 45 45 THR HA H 45 5.140 4.993 0.147 1
1 545 . 17 1 1 A 45 45 THR C C 45 177.830 173.547 4.283 1
1 546 . 17 1 1 A 45 45 THR CA C 45 61.450 60.083 1.367 1
1 547 . 17 1 1 A 45 45 THR CB C 45 71.380 71.813 -0.433 1
1 549 . 17 1 1 A 45 45 THR N N 45 115.470 112.531 2.939 1
1 550 . 17 1 1 A 46 46 MET H H 46 9.100 8.867 0.233 1
1 551 . 17 1 1 A 46 46 MET HA H 46 4.730 5.032 -0.302 1
1 556 . 17 1 1 A 46 46 MET C C 46 173.520 173.818 -0.298 1
1 557 . 17 1 1 A 46 46 MET CA C 46 54.560 54.341 0.219 1
1 558 . 17 1 1 A 46 46 MET CB C 46 36.500 37.272 -0.772 1
1 560 . 17 1 1 A 46 46 MET N N 46 123.160 121.197 1.963 1
1 561 . 17 1 1 A 47 47 LEU H H 47 8.490 8.774 -0.284 1
1 562 . 17 1 1 A 47 47 LEU HA H 47 4.730 5.018 -0.288 1
1 572 . 17 1 1 A 47 47 LEU C C 47 176.210 174.761 1.449 1
1 573 . 17 1 1 A 47 47 LEU CA C 47 54.440 53.642 0.798 1
1 574 . 17 1 1 A 47 47 LEU CB C 47 42.540 44.501 -1.961 1
1 578 . 17 1 1 A 47 47 LEU N N 47 124.300 124.920 -0.620 1
1 579 . 17 1 1 A 48 48 ILE H H 48 8.990 9.519 -0.529 1
1 580 . 17 1 1 A 48 48 ILE HA H 48 4.430 4.789 -0.359 1
1 590 . 17 1 1 A 48 48 ILE C C 48 175.040 174.640 0.400 1
1 591 . 17 1 1 A 48 48 ILE CA C 48 59.150 60.015 -0.865 1
1 592 . 17 1 1 A 48 48 ILE CB C 48 39.910 40.705 -0.795 1
1 596 . 17 1 1 A 48 48 ILE N N 48 125.760 127.986 -2.226 1
1 597 . 17 1 1 A 49 49 LYS H H 49 8.710 8.930 -0.220 1
1 598 . 17 1 1 A 49 49 LYS HA H 49 4.550 5.029 -0.479 1
1 607 . 17 1 1 A 49 49 LYS C C 49 176.060 175.716 0.344 1
1 608 . 17 1 1 A 49 49 LYS CA C 49 56.570 55.207 1.363 1
1 609 . 17 1 1 A 49 49 LYS CB C 49 33.010 35.033 -2.023 1
1 613 . 17 1 1 A 49 49 LYS N N 49 126.480 126.889 -0.409 1
1 614 . 17 1 1 A 50 50 THR H H 50 8.150 9.067 -0.917 1
1 615 . 17 1 1 A 50 50 THR HA H 50 4.860 4.773 0.087 1
1 620 . 17 1 1 A 50 50 THR CA C 50 60.030 61.348 -1.318 1
1 621 . 17 1 1 A 50 50 THR CB C 50 72.820 71.690 1.130 1
1 623 . 17 1 1 A 50 50 THR N N 50 116.220 116.887 -0.667 1
1 624 . 17 1 1 A 51 51 ILE HA H 51 4.400 3.840 0.560 1
1 634 . 17 1 1 A 51 51 ILE C C 51 176.140 176.909 -0.769 1
1 635 . 17 1 1 A 51 51 ILE CA C 51 63.450 64.899 -1.449 1
1 636 . 17 1 1 A 51 51 ILE CB C 51 37.970 37.936 0.034 1
1 640 . 17 1 1 A 52 52 HIS H H 52 7.820 7.986 -0.166 1
1 641 . 17 1 1 A 52 52 HIS HA H 52 4.830 4.246 0.584 1
1 644 . 17 1 1 A 52 52 HIS C C 52 175.190 175.330 -0.140 1
1 645 . 17 1 1 A 52 52 HIS CA C 52 55.670 58.976 -3.306 1
1 646 . 17 1 1 A 52 52 HIS CB C 52 31.260 30.349 0.911 1
1 647 . 17 1 1 A 52 52 HIS N N 52 118.280 120.929 -2.649 1
1 648 . 17 1 1 A 53 53 GLY H H 53 7.590 7.306 0.284 1
1 649 . 17 1 1 A 53 53 GLY HA2 H 53 3.880 3.955 -0.075 1
1 650 . 17 1 1 A 53 53 GLY HA3 H 53 4.510 4.008 0.502 1
1 651 . 17 1 1 A 53 53 GLY C C 53 173.360 171.519 1.841 1
1 652 . 17 1 1 A 53 53 GLY CA C 53 44.510 45.828 -1.318 1
1 653 . 17 1 1 A 53 53 GLY N N 53 108.490 105.655 2.835 1
1 654 . 17 1 1 A 54 54 GLU H H 54 8.710 8.483 0.227 1
1 655 . 17 1 1 A 54 54 GLU HA H 54 5.050 4.821 0.229 1
1 660 . 17 1 1 A 54 54 GLU C C 54 175.890 175.756 0.134 1
1 661 . 17 1 1 A 54 54 GLU CA C 54 55.980 55.688 0.292 1
1 662 . 17 1 1 A 54 54 GLU CB C 54 31.610 31.328 0.282 1
1 664 . 17 1 1 A 54 54 GLU N N 54 121.850 120.250 1.600 1
1 665 . 17 1 1 A 55 55 LYS H H 55 8.930 9.416 -0.486 1
1 666 . 17 1 1 A 55 55 LYS HA H 55 4.670 5.074 -0.404 1
1 675 . 17 1 1 A 55 55 LYS C C 55 174.630 174.446 0.184 1
1 676 . 17 1 1 A 55 55 LYS CA C 55 54.750 54.644 0.106 1
1 677 . 17 1 1 A 55 55 LYS CB C 55 35.910 35.474 0.436 1
1 681 . 17 1 1 A 55 55 LYS N N 55 123.380 124.018 -0.638 1
1 682 . 17 1 1 A 56 56 GLN H H 56 8.670 8.929 -0.259 1
1 683 . 17 1 1 A 56 56 GLN HA H 56 4.820 5.082 -0.262 1
1 688 . 17 1 1 A 56 56 GLN C C 56 175.780 174.336 1.444 1
1 689 . 17 1 1 A 56 56 GLN CA C 56 55.500 54.221 1.279 1
1 690 . 17 1 1 A 56 56 GLN CB C 56 29.470 32.136 -2.666 1
1 692 . 17 1 1 A 56 56 GLN N N 56 122.950 124.195 -1.245 1
1 693 . 17 1 1 A 57 57 GLN H H 57 9.210 8.618 0.592 1
1 694 . 17 1 1 A 57 57 GLN HA H 57 4.740 5.038 -0.298 1
1 701 . 17 1 1 A 57 57 GLN C C 57 174.100 174.794 -0.694 1
1 702 . 17 1 1 A 57 57 GLN CA C 57 54.760 53.922 0.838 1
1 703 . 17 1 1 A 57 57 GLN CB C 57 32.670 32.356 0.314 1
1 705 . 17 1 1 A 57 57 GLN N N 57 125.030 127.158 -2.128 1
1 707 . 17 1 1 A 58 58 ASP H H 58 8.570 8.746 -0.176 1
1 708 . 17 1 1 A 58 58 ASP HA H 58 4.860 4.908 -0.048 1
1 711 . 17 1 1 A 58 58 ASP C C 58 173.690 176.069 -2.379 1
1 712 . 17 1 1 A 58 58 ASP CA C 58 55.090 54.114 0.976 1
1 713 . 17 1 1 A 58 58 ASP CB C 58 42.120 42.029 0.091 1
1 714 . 17 1 1 A 58 58 ASP N N 58 124.680 125.097 -0.417 1
1 715 . 17 1 1 A 59 59 VAL H H 59 8.480 9.009 -0.529 1
1 716 . 17 1 1 A 59 59 VAL HA H 59 4.610 4.746 -0.136 1
1 724 . 17 1 1 A 59 59 VAL C C 59 174.600 174.854 -0.254 1
1 725 . 17 1 1 A 59 59 VAL CA C 59 61.130 61.485 -0.355 1
1 726 . 17 1 1 A 59 59 VAL CB C 59 34.250 32.852 1.398 1
1 729 . 17 1 1 A 59 59 VAL N N 59 121.270 121.317 -0.047 1
1 730 . 17 1 1 A 60 60 TYR H H 60 9.390 9.329 0.061 1
1 731 . 17 1 1 A 60 60 TYR HA H 60 4.800 5.142 -0.342 1
1 738 . 17 1 1 A 60 60 TYR C C 60 173.840 174.162 -0.322 1
1 739 . 17 1 1 A 60 60 TYR CA C 60 56.840 56.390 0.450 1
1 740 . 17 1 1 A 60 60 TYR CB C 60 41.190 41.870 -0.680 1
1 745 . 17 1 1 A 60 60 TYR N N 60 125.760 126.873 -1.113 1
1 746 . 17 1 1 A 61 61 TYR H H 61 9.300 8.535 0.765 1
1 747 . 17 1 1 A 61 61 TYR HA H 61 5.370 5.347 0.023 1
1 754 . 17 1 1 A 61 61 TYR C C 61 174.300 174.145 0.155 1
1 755 . 17 1 1 A 61 61 TYR CA C 61 57.490 56.796 0.694 1
1 756 . 17 1 1 A 61 61 TYR CB C 61 40.900 40.723 0.177 1
1 761 . 17 1 1 A 61 61 TYR N N 61 122.890 124.092 -1.202 1
1 762 . 17 1 1 A 62 62 LEU H H 62 8.770 8.794 -0.024 1
1 763 . 17 1 1 A 62 62 LEU HA H 62 4.780 5.102 -0.322 1
1 773 . 17 1 1 A 62 62 LEU C C 62 174.070 175.925 -1.855 1
1 774 . 17 1 1 A 62 62 LEU CA C 62 53.760 53.385 0.375 1
1 775 . 17 1 1 A 62 62 LEU CB C 62 49.020 45.722 3.298 1
1 779 . 17 1 1 A 62 62 LEU N N 62 129.700 129.162 0.538 1
1 780 . 17 1 1 A 63 63 THR H H 63 7.960 8.763 -0.803 1
1 781 . 17 1 1 A 63 63 THR HA H 63 5.410 4.996 0.414 1
1 786 . 17 1 1 A 63 63 THR C C 63 173.860 174.120 -0.260 1
1 787 . 17 1 1 A 63 63 THR CA C 63 60.850 61.229 -0.379 1
1 788 . 17 1 1 A 63 63 THR CB C 63 69.790 70.456 -0.666 1
1 790 . 17 1 1 A 63 63 THR N N 63 118.460 116.922 1.538 1
1 791 . 17 1 1 A 64 64 PHE H H 64 9.270 8.545 0.725 1
1 792 . 17 1 1 A 64 64 PHE HA H 64 5.100 5.590 -0.490 1
1 800 . 17 1 1 A 64 64 PHE C C 64 172.280 172.715 -0.435 1
1 801 . 17 1 1 A 64 64 PHE CA C 64 56.020 55.166 0.854 1
1 802 . 17 1 1 A 64 64 PHE CB C 64 38.350 42.355 -4.005 1
1 808 . 17 1 1 A 64 64 PHE N N 64 123.960 123.138 0.822 1
1 809 . 17 1 1 A 65 65 LYS H H 65 8.750 8.904 -0.154 1
1 810 . 17 1 1 A 65 65 LYS HA H 65 5.500 5.076 0.424 1
1 819 . 17 1 1 A 65 65 LYS C C 65 176.300 175.546 0.754 1
1 820 . 17 1 1 A 65 65 LYS CA C 65 54.900 55.701 -0.801 1
1 821 . 17 1 1 A 65 65 LYS CB C 65 37.730 34.114 3.616 1
1 825 . 17 1 1 A 65 65 LYS N N 65 117.930 119.517 -1.587 1
1 826 . 17 1 1 A 66 66 VAL H H 66 8.840 9.547 -0.707 1
1 827 . 17 1 1 A 66 66 VAL HA H 66 4.520 4.648 -0.128 1
1 835 . 17 1 1 A 66 66 VAL C C 66 175.550 175.948 -0.398 1
1 836 . 17 1 1 A 66 66 VAL CA C 66 62.130 61.297 0.833 1
1 837 . 17 1 1 A 66 66 VAL CB C 66 35.100 32.270 2.830 1
1 840 . 17 1 1 A 66 66 VAL N N 66 119.330 125.098 -5.768 1
1 841 . 17 1 1 A 67 67 GLN H H 67 9.690 9.220 0.470 1
1 842 . 17 1 1 A 67 67 GLN HA H 67 4.050 4.089 -0.039 1
1 849 . 17 1 1 A 67 67 GLN C C 67 176.300 176.267 0.033 1
1 850 . 17 1 1 A 67 67 GLN CA C 67 56.720 57.222 -0.502 1
1 851 . 17 1 1 A 67 67 GLN CB C 67 28.230 26.883 1.347 1
1 853 . 17 1 1 A 67 67 GLN N N 67 125.930 128.759 -2.829 1
1 855 . 17 1 1 A 68 68 GLY H H 68 8.980 8.726 0.254 1
1 856 . 17 1 1 A 68 68 GLY HA2 H 68 3.510 3.833 -0.323 1
1 857 . 17 1 1 A 68 68 GLY HA3 H 68 4.140 3.840 0.300 1
1 858 . 17 1 1 A 68 68 GLY C C 68 173.410 173.844 -0.434 1
1 859 . 17 1 1 A 68 68 GLY CA C 68 45.460 45.658 -0.198 1
1 860 . 17 1 1 A 68 68 GLY N N 68 103.510 104.339 -0.829 1
1 861 . 17 1 1 A 69 69 ARG H H 69 8.070 7.810 0.260 1
1 862 . 17 1 1 A 69 69 ARG HA H 69 4.400 4.556 -0.156 1
1 869 . 17 1 1 A 69 69 ARG C C 69 174.880 174.824 0.056 1
1 870 . 17 1 1 A 69 69 ARG CA C 69 54.730 54.291 0.439 1
1 871 . 17 1 1 A 69 69 ARG CB C 69 31.520 32.295 -0.775 1
1 874 . 17 1 1 A 69 69 ARG N N 69 122.680 119.826 2.854 1
1 875 . 17 1 1 A 70 70 LYS H H 70 8.390 8.577 -0.187 1
1 876 . 17 1 1 A 70 70 LYS HA H 70 4.220 4.372 -0.152 1
1 885 . 17 1 1 A 70 70 LYS C C 70 175.330 174.840 0.490 1
1 886 . 17 1 1 A 70 70 LYS CA C 70 57.860 56.712 1.148 1
1 887 . 17 1 1 A 70 70 LYS CB C 70 32.790 32.727 0.063 1
1 891 . 17 1 1 A 70 70 LYS N N 70 123.590 126.056 -2.466 1
1 892 . 17 1 1 A 71 71 VAL H H 71 9.050 8.325 0.725 1
1 893 . 17 1 1 A 71 71 VAL HA H 71 4.140 4.533 -0.393 1
1 901 . 17 1 1 A 71 71 VAL C C 71 173.310 174.077 -0.767 1
1 902 . 17 1 1 A 71 71 VAL CA C 71 61.370 60.533 0.837 1
1 903 . 17 1 1 A 71 71 VAL CB C 71 34.610 35.500 -0.890 1
1 906 . 17 1 1 A 71 71 VAL N N 71 128.340 126.855 1.485 1
1 907 . 17 1 1 A 72 72 GLU H H 72 8.150 8.804 -0.654 1
1 908 . 17 1 1 A 72 72 GLU HA H 72 4.970 4.959 0.011 1
1 913 . 17 1 1 A 72 72 GLU C C 72 174.910 175.364 -0.454 1
1 914 . 17 1 1 A 72 72 GLU CA C 72 54.490 54.761 -0.271 1
1 915 . 17 1 1 A 72 72 GLU CB C 72 31.410 32.963 -1.553 1
1 917 . 17 1 1 A 72 72 GLU N N 72 124.430 125.302 -0.872 1
1 918 . 17 1 1 A 73 73 ALA H H 73 8.420 7.984 0.436 1
1 919 . 17 1 1 A 73 73 ALA HA H 73 4.770 4.857 -0.087 1
1 923 . 17 1 1 A 73 73 ALA C C 73 175.140 175.994 -0.854 1
1 924 . 17 1 1 A 73 73 ALA CA C 73 51.050 50.984 0.066 1
1 925 . 17 1 1 A 73 73 ALA CB C 73 23.060 23.094 -0.034 1
1 926 . 17 1 1 A 73 73 ALA N N 73 124.790 122.602 2.188 1
1 927 . 17 1 1 A 74 74 GLU H H 74 8.520 8.507 0.013 1
1 928 . 17 1 1 A 74 74 GLU HA H 74 5.260 5.369 -0.109 1
1 933 . 17 1 1 A 74 74 GLU C C 74 176.570 176.698 -0.128 1
1 934 . 17 1 1 A 74 74 GLU CA C 74 55.770 57.049 -1.279 1
1 935 . 17 1 1 A 74 74 GLU CB C 74 29.840 30.181 -0.341 1
1 937 . 17 1 1 A 74 74 GLU N N 74 120.480 118.880 1.600 1
1 938 . 17 1 1 A 75 75 VAL H H 75 9.240 10.005 -0.765 1
1 939 . 17 1 1 A 75 75 VAL HA H 75 5.730 5.446 0.284 1
1 947 . 17 1 1 A 75 75 VAL C C 75 174.700 174.608 0.092 1
1 948 . 17 1 1 A 75 75 VAL CA C 75 57.950 59.000 -1.050 1
1 949 . 17 1 1 A 75 75 VAL CB C 75 36.540 35.834 0.706 1
1 952 . 17 1 1 A 75 75 VAL N N 75 113.070 118.939 -5.869 1
1 953 . 17 1 1 A 76 76 LEU H H 76 8.420 8.643 -0.223 1
1 954 . 17 1 1 A 76 76 LEU HA H 76 5.110 5.179 -0.069 1
1 964 . 17 1 1 A 76 76 LEU C C 76 176.970 175.523 1.447 1
1 965 . 17 1 1 A 76 76 LEU CA C 76 52.370 53.561 -1.191 1
1 966 . 17 1 1 A 76 76 LEU CB C 76 45.230 45.308 -0.078 1
1 970 . 17 1 1 A 76 76 LEU N N 76 117.790 122.379 -4.589 1
1 971 . 17 1 1 A 77 77 ALA H H 77 8.930 8.923 0.007 1
1 972 . 17 1 1 A 77 77 ALA HA H 77 4.500 4.728 -0.228 1
1 976 . 17 1 1 A 77 77 ALA C C 77 177.950 176.771 1.179 1
1 977 . 17 1 1 A 77 77 ALA CA C 77 52.090 52.178 -0.088 1
1 978 . 17 1 1 A 77 77 ALA CB C 77 20.280 19.528 0.752 1
1 979 . 17 1 1 A 77 77 ALA N N 77 122.210 126.462 -4.252 1
1 980 . 17 1 1 A 78 78 SER H H 78 8.380 8.541 -0.161 1
1 981 . 17 1 1 A 78 78 SER HA H 78 5.010 4.977 0.033 1
1 984 . 17 1 1 A 78 78 SER CA C 78 54.230 55.391 -1.161 1
1 985 . 17 1 1 A 78 78 SER CB C 78 66.050 66.199 -0.149 1
1 986 . 17 1 1 A 78 78 SER N N 78 117.830 116.042 1.788 1
1 987 . 17 1 1 A 79 79 PRO HA H 79 4.660 4.492 0.168 1
1 994 . 17 1 1 A 79 79 PRO C C 79 176.150 175.923 0.227 1
1 995 . 17 1 1 A 79 79 PRO CA C 79 62.860 63.311 -0.451 1
1 996 . 17 1 1 A 79 79 PRO CB C 79 31.230 31.698 -0.468 1
1 999 . 17 1 1 A 80 80 TYR H H 80 7.380 7.331 0.049 1
1 1000 . 17 1 1 A 80 80 TYR HA H 80 4.710 4.683 0.027 1
1 1007 . 17 1 1 A 80 80 TYR C C 80 175.550 175.994 -0.444 1
1 1008 . 17 1 1 A 80 80 TYR CA C 80 56.150 57.609 -1.459 1
1 1009 . 17 1 1 A 80 80 TYR CB C 80 38.490 39.184 -0.694 1
1 1014 . 17 1 1 A 80 80 TYR N N 80 120.860 120.472 0.388 1
1 1015 . 17 1 1 A 81 81 ASP H H 81 8.290 9.016 -0.726 1
1 1016 . 17 1 1 A 81 81 ASP HA H 81 4.640 4.964 -0.324 1
1 1019 . 17 1 1 A 81 81 ASP C C 81 175.290 175.153 0.137 1
1 1020 . 17 1 1 A 81 81 ASP CA C 81 53.560 53.354 0.206 1
1 1021 . 17 1 1 A 81 81 ASP CB C 81 40.650 41.441 -0.791 1
1 1022 . 17 1 1 A 81 81 ASP N N 81 115.600 118.921 -3.321 1
1 1023 . 17 1 1 A 82 82 TYR H H 82 6.680 7.511 -0.831 1
1 1024 . 17 1 1 A 82 82 TYR HA H 82 5.160 5.114 0.046 1
1 1031 . 17 1 1 A 82 82 TYR C C 82 173.930 173.138 0.792 1
1 1032 . 17 1 1 A 82 82 TYR CA C 82 53.190 55.994 -2.804 1
1 1033 . 17 1 1 A 82 82 TYR CB C 82 40.820 41.442 -0.622 1
1 1038 . 17 1 1 A 82 82 TYR N N 82 116.100 116.455 -0.355 1
1 1039 . 17 1 1 A 83 83 ILE H H 83 8.900 8.941 -0.041 1
1 1040 . 17 1 1 A 83 83 ILE HA H 83 4.480 4.436 0.044 1
1 1050 . 17 1 1 A 83 83 ILE C C 83 175.160 175.043 0.117 1
1 1051 . 17 1 1 A 83 83 ILE CA C 83 60.940 59.822 1.118 1
1 1052 . 17 1 1 A 83 83 ILE CB C 83 40.980 40.772 0.208 1
1 1056 . 17 1 1 A 83 83 ILE N N 83 119.050 119.297 -0.247 1
1 1057 . 17 1 1 A 84 84 LEU H H 84 8.740 9.529 -0.789 1
1 1058 . 17 1 1 A 84 84 LEU HA H 84 5.140 4.753 0.387 1
1 1068 . 17 1 1 A 84 84 LEU C C 84 174.920 176.088 -1.168 1
1 1069 . 17 1 1 A 84 84 LEU CA C 84 53.800 54.372 -0.572 1
1 1070 . 17 1 1 A 84 84 LEU CB C 84 44.100 42.231 1.869 1
1 1074 . 17 1 1 A 84 84 LEU N N 84 130.660 127.796 2.864 1
1 1075 . 17 1 1 A 85 85 LEU H H 85 9.010 8.853 0.157 1
1 1076 . 17 1 1 A 85 85 LEU HA H 85 4.470 5.142 -0.672 1
1 1086 . 17 1 1 A 85 85 LEU C C 85 174.660 175.118 -0.458 1
1 1087 . 17 1 1 A 85 85 LEU CA C 85 54.080 53.282 0.798 1
1 1088 . 17 1 1 A 85 85 LEU CB C 85 44.350 45.120 -0.770 1
1 1092 . 17 1 1 A 85 85 LEU N N 85 125.210 123.157 2.053 1
1 1093 . 17 1 1 A 86 86 ASN H H 86 8.370 8.618 -0.248 1
1 1094 . 17 1 1 A 86 86 ASN HA H 86 4.680 4.978 -0.298 1
1 1099 . 17 1 1 A 86 86 ASN CA C 86 49.780 49.742 0.038 1
1 1100 . 17 1 1 A 86 86 ASN CB C 86 38.890 40.400 -1.510 1
1 1101 . 17 1 1 A 86 86 ASN N N 86 122.970 121.678 1.292 1
1 1103 . 17 1 1 A 87 87 PRO HA H 87 3.600 4.556 -0.956 1
1 1110 . 17 1 1 A 87 87 PRO C C 87 178.740 178.334 0.406 1
1 1111 . 17 1 1 A 87 87 PRO CA C 87 65.050 64.951 0.099 1
1 1112 . 17 1 1 A 87 87 PRO CB C 87 33.160 32.088 1.072 1
1 1115 . 17 1 1 A 88 88 SER H H 88 7.580 9.280 -1.700 1
1 1116 . 17 1 1 A 88 88 SER HA H 88 4.100 4.253 -0.153 1
1 1119 . 17 1 1 A 88 88 SER C C 88 175.480 176.374 -0.894 1
1 1120 . 17 1 1 A 88 88 SER CA C 88 60.730 61.013 -0.283 1
1 1121 . 17 1 1 A 88 88 SER CB C 88 62.870 63.252 -0.382 1
1 1122 . 17 1 1 A 88 88 SER N N 88 109.530 113.938 -4.408 1
1 1123 . 17 1 1 A 89 89 ASP H H 89 8.170 8.064 0.106 1
1 1124 . 17 1 1 A 89 89 ASP HA H 89 4.770 4.600 0.170 1
1 1127 . 17 1 1 A 89 89 ASP C C 89 175.730 177.016 -1.286 1
1 1128 . 17 1 1 A 89 89 ASP CA C 89 56.030 56.684 -0.654 1
1 1129 . 17 1 1 A 89 89 ASP CB C 89 41.380 41.412 -0.032 1
1 1130 . 17 1 1 A 89 89 ASP N N 89 118.600 120.189 -1.589 1
1 1131 . 17 1 1 A 90 90 VAL H H 90 7.050 7.270 -0.220 1
1 1132 . 17 1 1 A 90 90 VAL HA H 90 4.050 3.000 1.050 1
1 1140 . 17 1 1 A 90 90 VAL CA C 90 56.960 58.338 -1.378 1
1 1141 . 17 1 1 A 90 90 VAL CB C 90 31.710 31.160 0.550 1
1 1144 . 17 1 1 A 90 90 VAL N N 90 109.580 112.490 -2.910 1
1 1145 . 17 1 1 A 91 91 PRO HA H 91 4.250 4.412 -0.162 1
1 1152 . 17 1 1 A 91 91 PRO C C 91 176.870 177.427 -0.557 1
1 1153 . 17 1 1 A 91 91 PRO CA C 91 65.190 64.415 0.775 1
1 1154 . 17 1 1 A 91 91 PRO CB C 91 31.470 31.852 -0.382 1
1 1157 . 17 1 1 A 92 92 TRP H H 92 6.720 7.695 -0.975 1
1 1158 . 17 1 1 A 92 92 TRP HA H 92 4.570 4.462 0.108 1
1 1167 . 17 1 1 A 92 92 TRP C C 92 176.630 178.226 -1.596 1
1 1168 . 17 1 1 A 92 92 TRP CA C 92 56.910 59.735 -2.825 1
1 1169 . 17 1 1 A 92 92 TRP CB C 92 27.990 28.430 -0.440 1
1 1175 . 17 1 1 A 92 92 TRP N N 92 115.110 117.660 -2.550 1
1 1177 . 17 1 1 A 93 93 LEU H H 93 7.150 7.409 -0.259 1
1 1178 . 17 1 1 A 93 93 LEU HA H 93 4.220 3.964 0.256 1
1 1188 . 17 1 1 A 93 93 LEU C C 93 176.210 178.524 -2.314 1
1 1189 . 17 1 1 A 93 93 LEU CA C 93 55.350 57.716 -2.366 1
1 1190 . 17 1 1 A 93 93 LEU CB C 93 42.190 41.025 1.165 1
1 1194 . 17 1 1 A 93 93 LEU N N 93 123.090 124.378 -1.288 1
1 1195 . 17 1 1 A 94 94 MET H H 94 7.730 7.955 -0.225 1
1 1196 . 17 1 1 A 94 94 MET HA H 94 4.340 4.074 0.266 1
1 1201 . 17 1 1 A 94 94 MET C C 94 175.550 175.953 -0.403 1
1 1202 . 17 1 1 A 94 94 MET CA C 94 55.120 57.955 -2.835 1
1 1203 . 17 1 1 A 94 94 MET CB C 94 32.630 32.526 0.104 1
1 1205 . 17 1 1 A 94 94 MET N N 94 118.250 115.621 2.629 1
1 1206 . 17 1 1 A 95 95 LYS H H 95 7.950 7.703 0.247 1
1 1207 . 17 1 1 A 95 95 LYS HA H 95 4.260 4.748 -0.488 1
1 1210 . 17 1 1 A 95 95 LYS C C 95 176.130 176.097 0.033 1
1 1211 . 17 1 1 A 95 95 LYS CA C 95 56.150 54.559 1.591 1
1 1212 . 17 1 1 A 95 95 LYS CB C 95 33.010 35.155 -2.145 1
1 1213 . 17 1 1 A 95 95 LYS N N 95 121.650 118.250 3.400 1
1 1214 . 17 1 1 A 96 96 LYS H H 96 8.260 8.745 -0.485 1
1 1215 . 17 1 1 A 96 96 LYS N N 96 123.570 122.570 1.000 1
1 1216 . 17 1 1 A 97 97 PRO HA H 97 4.530 4.428 0.102 1
1 1219 . 17 1 1 A 97 97 PRO C C 97 176.830 176.900 -0.070 1
1 1220 . 17 1 1 A 97 97 PRO CA C 97 63.180 64.096 -0.916 1
1 1221 . 17 1 1 A 97 97 PRO CB C 97 32.050 32.023 0.027 1
1 88 . 18 1 1 A 9 9 PRO HA H 9 4.410 4.401 0.009 1
1 95 . 18 1 1 A 9 9 PRO C C 9 176.460 176.900 -0.440 1
1 96 . 18 1 1 A 9 9 PRO CA C 9 63.030 62.235 0.795 1
1 97 . 18 1 1 A 9 9 PRO CB C 9 32.210 31.738 0.472 1
1 100 . 18 1 1 A 10 10 LEU H H 10 9.190 8.578 0.612 1
1 101 . 18 1 1 A 10 10 LEU HA H 10 4.640 4.547 0.093 1
1 111 . 18 1 1 A 10 10 LEU C C 10 176.620 176.910 -0.290 1
1 112 . 18 1 1 A 10 10 LEU CA C 10 53.420 54.088 -0.668 1
1 113 . 18 1 1 A 10 10 LEU CB C 10 44.290 43.009 1.281 1
1 117 . 18 1 1 A 10 10 LEU N N 10 123.060 122.528 0.532 1
1 118 . 18 1 1 A 11 11 GLU H H 11 8.720 8.459 0.261 1
1 119 . 18 1 1 A 11 11 GLU HA H 11 4.490 5.030 -0.540 1
1 124 . 18 1 1 A 11 11 GLU C C 11 176.620 175.982 0.638 1
1 125 . 18 1 1 A 11 11 GLU CA C 11 57.060 55.189 1.871 1
1 126 . 18 1 1 A 11 11 GLU CB C 11 30.820 31.938 -1.118 1
1 128 . 18 1 1 A 11 11 GLU N N 11 121.330 120.110 1.220 1
1 129 . 18 1 1 A 12 12 ALA H H 12 8.760 8.630 0.130 1
1 130 . 18 1 1 A 12 12 ALA HA H 12 5.390 5.181 0.209 1
1 134 . 18 1 1 A 12 12 ALA C C 12 176.040 175.638 0.402 1
1 135 . 18 1 1 A 12 12 ALA CA C 12 50.350 51.238 -0.888 1
1 136 . 18 1 1 A 12 12 ALA CB C 12 24.490 23.615 0.875 1
1 137 . 18 1 1 A 12 12 ALA N N 12 127.010 122.807 4.203 1
1 138 . 18 1 1 A 13 13 GLU H H 13 8.850 9.245 -0.395 1
1 139 . 18 1 1 A 13 13 GLU HA H 13 5.240 5.615 -0.375 1
1 144 . 18 1 1 A 13 13 GLU C C 13 175.320 175.569 -0.249 1
1 145 . 18 1 1 A 13 13 GLU CA C 13 55.580 55.075 0.505 1
1 146 . 18 1 1 A 13 13 GLU CB C 13 34.410 32.170 2.240 1
1 148 . 18 1 1 A 13 13 GLU N N 13 119.980 121.009 -1.029 1
1 149 . 18 1 1 A 14 14 ILE H H 14 8.420 8.771 -0.351 1
1 150 . 18 1 1 A 14 14 ILE HA H 14 4.210 4.632 -0.422 1
1 160 . 18 1 1 A 14 14 ILE C C 14 174.520 175.912 -1.392 1
1 161 . 18 1 1 A 14 14 ILE CA C 14 61.000 59.906 1.094 1
1 162 . 18 1 1 A 14 14 ILE CB C 14 40.430 39.535 0.895 1
1 166 . 18 1 1 A 14 14 ILE N N 14 123.990 125.060 -1.070 1
1 167 . 18 1 1 A 15 15 LYS H H 15 9.590 9.649 -0.059 1
1 168 . 18 1 1 A 15 15 LYS HA H 15 3.880 4.052 -0.172 1
1 177 . 18 1 1 A 15 15 LYS C C 15 176.880 176.616 0.264 1
1 178 . 18 1 1 A 15 15 LYS CA C 15 57.890 57.510 0.380 1
1 179 . 18 1 1 A 15 15 LYS CB C 15 30.550 30.334 0.216 1
1 183 . 18 1 1 A 15 15 LYS N N 15 124.930 128.535 -3.605 1
1 184 . 18 1 1 A 16 16 GLY H H 16 8.730 8.424 0.306 1
1 185 . 18 1 1 A 16 16 GLY HA2 H 16 3.670 3.899 -0.229 1
1 186 . 18 1 1 A 16 16 GLY HA3 H 16 4.230 3.904 0.326 1
1 187 . 18 1 1 A 16 16 GLY C C 16 174.360 174.371 -0.011 1
1 188 . 18 1 1 A 16 16 GLY CA C 16 45.540 45.245 0.295 1
1 189 . 18 1 1 A 16 16 GLY N N 16 104.580 105.911 -1.331 1
1 190 . 18 1 1 A 17 17 THR H H 17 8.400 8.477 -0.077 1
1 191 . 18 1 1 A 17 17 THR HA H 17 4.490 4.228 0.262 1
1 196 . 18 1 1 A 17 17 THR C C 17 172.970 174.030 -1.060 1
1 197 . 18 1 1 A 17 17 THR CA C 17 62.580 63.655 -1.075 1
1 198 . 18 1 1 A 17 17 THR CB C 17 70.320 69.312 1.008 1
1 200 . 18 1 1 A 17 17 THR N N 17 120.070 116.908 3.162 1
1 201 . 18 1 1 A 18 18 LYS H H 18 8.750 8.740 0.010 1
1 202 . 18 1 1 A 18 18 LYS HA H 18 4.920 4.867 0.053 1
1 211 . 18 1 1 A 18 18 LYS C C 18 175.860 175.178 0.682 1
1 212 . 18 1 1 A 18 18 LYS CA C 18 56.350 55.808 0.542 1
1 213 . 18 1 1 A 18 18 LYS CB C 18 32.940 33.649 -0.709 1
1 217 . 18 1 1 A 18 18 LYS N N 18 127.270 127.800 -0.530 1
1 218 . 18 1 1 A 19 19 LEU H H 19 8.750 8.943 -0.193 1
1 219 . 18 1 1 A 19 19 LEU HA H 19 4.850 5.016 -0.166 1
1 229 . 18 1 1 A 19 19 LEU C C 19 174.210 175.852 -1.642 1
1 230 . 18 1 1 A 19 19 LEU CA C 19 55.160 53.479 1.681 1
1 231 . 18 1 1 A 19 19 LEU CB C 19 43.340 46.429 -3.089 1
1 235 . 18 1 1 A 19 19 LEU N N 19 123.470 127.388 -3.918 1
1 236 . 18 1 1 A 20 20 LYS H H 20 8.660 8.453 0.207 1
1 237 . 18 1 1 A 20 20 LYS HA H 20 5.180 4.748 0.432 1
1 246 . 18 1 1 A 20 20 LYS C C 20 175.650 175.664 -0.014 1
1 247 . 18 1 1 A 20 20 LYS CA C 20 54.630 55.451 -0.821 1
1 248 . 18 1 1 A 20 20 LYS CB C 20 34.710 34.332 0.378 1
1 252 . 18 1 1 A 20 20 LYS N N 20 118.320 120.456 -2.136 1
1 253 . 18 1 1 A 21 21 ALA H H 21 8.860 9.062 -0.202 1
1 254 . 18 1 1 A 21 21 ALA HA H 21 5.470 5.417 0.053 1
1 258 . 18 1 1 A 21 21 ALA C C 21 174.740 175.566 -0.826 1
1 259 . 18 1 1 A 21 21 ALA CA C 21 49.510 50.511 -1.001 1
1 260 . 18 1 1 A 21 21 ALA CB C 21 22.990 24.311 -1.321 1
1 261 . 18 1 1 A 21 21 ALA N N 21 120.460 122.206 -1.746 1
1 262 . 18 1 1 A 22 22 HIS H H 22 9.140 9.003 0.137 1
1 263 . 18 1 1 A 22 22 HIS HA H 22 5.070 5.136 -0.066 1
1 268 . 18 1 1 A 22 22 HIS C C 22 174.310 173.933 0.377 1
1 269 . 18 1 1 A 22 22 HIS CA C 22 54.040 53.884 0.156 1
1 270 . 18 1 1 A 22 22 HIS CB C 22 32.390 33.449 -1.059 1
1 272 . 18 1 1 A 22 22 HIS N N 22 119.890 115.642 4.248 1
1 273 . 18 1 1 A 23 23 TRP H H 23 9.160 9.145 0.015 1
1 274 . 18 1 1 A 23 23 TRP HA H 23 4.360 4.817 -0.457 1
1 283 . 18 1 1 A 23 23 TRP C C 23 175.070 174.785 0.285 1
1 284 . 18 1 1 A 23 23 TRP CA C 23 59.160 56.808 2.352 1
1 285 . 18 1 1 A 23 23 TRP CB C 23 30.710 30.144 0.566 1
1 291 . 18 1 1 A 23 23 TRP N N 23 126.610 126.096 0.514 1
1 293 . 18 1 1 A 24 24 ASP H H 24 7.720 7.932 -0.212 1
1 294 . 18 1 1 A 24 24 ASP HA H 24 4.880 4.790 0.090 1
1 297 . 18 1 1 A 24 24 ASP C C 24 175.340 175.541 -0.201 1
1 298 . 18 1 1 A 24 24 ASP CA C 24 53.030 52.285 0.745 1
1 299 . 18 1 1 A 24 24 ASP CB C 24 43.510 41.859 1.651 1
1 300 . 18 1 1 A 24 24 ASP N N 24 126.750 128.643 -1.893 1
1 301 . 18 1 1 A 25 25 SER H H 25 8.490 8.276 0.214 1
1 302 . 18 1 1 A 25 25 SER HA H 25 3.580 3.453 0.127 1
1 305 . 18 1 1 A 25 25 SER C C 25 175.340 176.596 -1.256 1
1 306 . 18 1 1 A 25 25 SER CA C 25 60.640 60.863 -0.223 1
1 307 . 18 1 1 A 25 25 SER CB C 25 62.990 62.591 0.399 1
1 308 . 18 1 1 A 25 25 SER N N 25 119.220 119.580 -0.360 1
1 309 . 18 1 1 A 26 26 GLY H H 26 8.670 7.945 0.725 1
1 310 . 18 1 1 A 26 26 GLY HA2 H 26 3.630 3.860 -0.230 1
1 311 . 18 1 1 A 26 26 GLY HA3 H 26 4.200 3.865 0.335 1
1 312 . 18 1 1 A 26 26 GLY C C 26 174.190 174.726 -0.536 1
1 313 . 18 1 1 A 26 26 GLY CA C 26 44.760 46.821 -2.061 1
1 314 . 18 1 1 A 26 26 GLY N N 26 109.290 109.294 -0.004 1
1 315 . 18 1 1 A 27 27 ALA H H 27 7.550 7.354 0.196 1
1 316 . 18 1 1 A 27 27 ALA HA H 27 4.370 4.276 0.094 1
1 320 . 18 1 1 A 27 27 ALA C C 27 178.430 177.301 1.129 1
1 321 . 18 1 1 A 27 27 ALA CA C 27 52.240 52.226 0.014 1
1 322 . 18 1 1 A 27 27 ALA CB C 27 18.240 19.422 -1.182 1
1 323 . 18 1 1 A 27 27 ALA N N 27 124.840 123.104 1.736 1
1 324 . 18 1 1 A 28 28 THR H H 28 8.260 9.010 -0.750 1
1 325 . 18 1 1 A 28 28 THR HA H 28 4.230 4.555 -0.325 1
1 330 . 18 1 1 A 28 28 THR C C 28 173.830 174.496 -0.666 1
1 331 . 18 1 1 A 28 28 THR CA C 28 62.180 62.724 -0.544 1
1 332 . 18 1 1 A 28 28 THR CB C 28 69.240 69.577 -0.337 1
1 333 . 18 1 1 A 28 28 THR N N 28 112.480 116.864 -4.384 1
1 334 . 18 1 1 A 29 29 ILE H H 29 7.460 7.593 -0.133 1
1 335 . 18 1 1 A 29 29 ILE HA H 29 4.540 4.754 -0.214 1
1 345 . 18 1 1 A 29 29 ILE C C 29 173.440 174.576 -1.136 1
1 346 . 18 1 1 A 29 29 ILE CA C 29 60.540 59.395 1.145 1
1 347 . 18 1 1 A 29 29 ILE CB C 29 40.780 42.109 -1.329 1
1 351 . 18 1 1 A 29 29 ILE N N 29 118.820 120.924 -2.104 1
1 352 . 18 1 1 A 30 30 THR H H 30 9.380 8.665 0.715 1
1 353 . 18 1 1 A 30 30 THR HA H 30 4.870 4.461 0.409 1
1 358 . 18 1 1 A 30 30 THR C C 30 173.600 174.173 -0.573 1
1 359 . 18 1 1 A 30 30 THR CA C 30 64.280 62.892 1.388 1
1 360 . 18 1 1 A 30 30 THR CB C 30 69.840 69.718 0.122 1
1 361 . 18 1 1 A 30 30 THR N N 30 129.290 120.484 8.806 1
1 362 . 18 1 1 A 31 31 CYS H H 31 9.180 8.594 0.586 1
1 363 . 18 1 1 A 31 31 CYS HA H 31 5.530 5.082 0.448 1
1 366 . 18 1 1 A 31 31 CYS C C 31 174.420 173.157 1.263 1
1 367 . 18 1 1 A 31 31 CYS CA C 31 56.540 57.153 -0.613 1
1 368 . 18 1 1 A 31 31 CYS CB C 31 30.780 30.078 0.702 1
1 369 . 18 1 1 A 31 31 CYS N N 31 122.220 125.030 -2.810 1
1 370 . 18 1 1 A 32 32 VAL H H 32 9.090 8.987 0.103 1
1 371 . 18 1 1 A 32 32 VAL HA H 32 4.710 4.368 0.342 1
1 379 . 18 1 1 A 32 32 VAL CA C 32 57.300 58.366 -1.066 1
1 380 . 18 1 1 A 32 32 VAL CB C 32 32.860 34.862 -2.002 1
1 383 . 18 1 1 A 32 32 VAL N N 32 117.890 126.220 -8.330 1
1 384 . 18 1 1 A 33 33 PRO HA H 33 4.530 5.276 -0.746 1
1 391 . 18 1 1 A 33 33 PRO C C 33 178.110 177.790 0.320 1
1 392 . 18 1 1 A 33 33 PRO CA C 33 64.140 62.581 1.559 1
1 393 . 18 1 1 A 33 33 PRO CB C 33 32.200 31.980 0.220 1
1 396 . 18 1 1 A 34 34 GLU H H 34 8.380 8.581 -0.201 1
1 397 . 18 1 1 A 34 34 GLU HA H 34 3.730 3.902 -0.172 1
1 402 . 18 1 1 A 34 34 GLU C C 34 177.830 178.378 -0.548 1
1 403 . 18 1 1 A 34 34 GLU CA C 34 59.480 59.572 -0.092 1
1 404 . 18 1 1 A 34 34 GLU CB C 34 29.860 29.430 0.430 1
1 406 . 18 1 1 A 34 34 GLU N N 34 122.200 124.597 -2.397 1
1 407 . 18 1 1 A 35 35 ALA H H 35 9.050 8.161 0.889 1
1 408 . 18 1 1 A 35 35 ALA HA H 35 4.030 3.998 0.032 1
1 412 . 18 1 1 A 35 35 ALA C C 35 180.250 178.642 1.608 1
1 413 . 18 1 1 A 35 35 ALA CA C 35 54.850 54.765 0.085 1
1 414 . 18 1 1 A 35 35 ALA CB C 35 18.160 18.513 -0.353 1
1 415 . 18 1 1 A 35 35 ALA N N 35 123.090 121.897 1.193 1
1 416 . 18 1 1 A 36 36 PHE H H 36 7.510 8.481 -0.971 1
1 417 . 18 1 1 A 36 36 PHE HA H 36 4.370 4.488 -0.118 1
1 425 . 18 1 1 A 36 36 PHE C C 36 174.870 176.896 -2.026 1
1 426 . 18 1 1 A 36 36 PHE CA C 36 60.160 58.364 1.796 1
1 427 . 18 1 1 A 36 36 PHE CB C 36 38.930 39.542 -0.612 1
1 433 . 18 1 1 A 36 36 PHE N N 36 112.030 115.749 -3.719 1
1 434 . 18 1 1 A 37 37 LEU H H 37 7.640 8.380 -0.740 1
1 435 . 18 1 1 A 37 37 LEU HA H 37 4.230 4.570 -0.340 1
1 445 . 18 1 1 A 37 37 LEU C C 37 177.380 177.316 0.064 1
1 446 . 18 1 1 A 37 37 LEU CA C 37 53.080 54.814 -1.734 1
1 447 . 18 1 1 A 37 37 LEU CB C 37 41.050 41.807 -0.757 1
1 451 . 18 1 1 A 37 37 LEU N N 37 116.800 117.715 -0.915 1
1 452 . 18 1 1 A 38 38 GLU H H 38 7.050 7.601 -0.551 1
1 453 . 18 1 1 A 38 38 GLU HA H 38 3.980 4.127 -0.147 1
1 458 . 18 1 1 A 38 38 GLU C C 38 176.630 176.773 -0.143 1
1 459 . 18 1 1 A 38 38 GLU CA C 38 59.250 59.188 0.062 1
1 460 . 18 1 1 A 38 38 GLU CB C 38 29.870 29.424 0.446 1
1 462 . 18 1 1 A 38 38 GLU N N 38 121.260 120.012 1.248 1
1 463 . 18 1 1 A 39 39 ASP H H 39 8.690 7.947 0.743 1
1 464 . 18 1 1 A 39 39 ASP HA H 39 4.700 4.888 -0.188 1
1 467 . 18 1 1 A 39 39 ASP C C 39 175.570 175.332 0.238 1
1 468 . 18 1 1 A 39 39 ASP CA C 39 53.760 53.663 0.097 1
1 469 . 18 1 1 A 39 39 ASP CB C 39 40.010 42.073 -2.063 1
1 470 . 18 1 1 A 39 39 ASP N N 39 115.590 117.504 -1.914 1
1 471 . 18 1 1 A 40 40 GLU H H 40 7.460 7.704 -0.244 1
1 472 . 18 1 1 A 40 40 GLU HA H 40 4.720 4.856 -0.136 1
1 477 . 18 1 1 A 40 40 GLU C C 40 175.660 175.706 -0.046 1
1 478 . 18 1 1 A 40 40 GLU CA C 40 54.240 54.858 -0.618 1
1 479 . 18 1 1 A 40 40 GLU CB C 40 31.240 31.620 -0.380 1
1 481 . 18 1 1 A 40 40 GLU N N 40 118.210 118.464 -0.254 1
1 482 . 18 1 1 A 41 41 ARG H H 41 9.130 8.770 0.360 1
1 483 . 18 1 1 A 41 41 ARG HA H 41 5.080 5.069 0.011 1
1 490 . 18 1 1 A 41 41 ARG CA C 41 52.540 52.629 -0.089 1
1 491 . 18 1 1 A 41 41 ARG CB C 41 31.240 32.794 -1.554 1
1 494 . 18 1 1 A 41 41 ARG N N 41 121.830 120.090 1.740 1
1 495 . 18 1 1 A 42 42 PRO HA H 42 3.840 4.089 -0.249 1
1 502 . 18 1 1 A 42 42 PRO C C 42 177.180 177.192 -0.012 1
1 503 . 18 1 1 A 42 42 PRO CA C 42 63.010 61.882 1.128 1
1 504 . 18 1 1 A 42 42 PRO CB C 42 32.490 31.371 1.119 1
1 507 . 18 1 1 A 43 43 ILE H H 43 9.110 7.855 1.255 1
1 508 . 18 1 1 A 43 43 ILE HA H 43 4.410 4.093 0.317 1
1 518 . 18 1 1 A 43 43 ILE C C 43 176.220 175.942 0.278 1
1 519 . 18 1 1 A 43 43 ILE CA C 43 61.480 62.027 -0.547 1
1 520 . 18 1 1 A 43 43 ILE CB C 43 39.510 38.397 1.113 1
1 524 . 18 1 1 A 43 43 ILE N N 43 115.610 118.553 -2.943 1
1 525 . 18 1 1 A 44 44 GLN H H 44 7.750 7.616 0.134 1
1 526 . 18 1 1 A 44 44 GLN HA H 44 4.610 4.744 -0.134 1
1 533 . 18 1 1 A 44 44 GLN C C 44 173.610 173.897 -0.287 1
1 534 . 18 1 1 A 44 44 GLN CA C 44 55.140 54.739 0.401 1
1 535 . 18 1 1 A 44 44 GLN CB C 44 31.460 32.130 -0.670 1
1 537 . 18 1 1 A 44 44 GLN N N 44 118.360 120.395 -2.035 1
1 539 . 18 1 1 A 45 45 THR H H 45 8.560 8.779 -0.219 1
1 540 . 18 1 1 A 45 45 THR HA H 45 5.140 5.113 0.027 1
1 545 . 18 1 1 A 45 45 THR C C 45 177.830 173.624 4.206 1
1 546 . 18 1 1 A 45 45 THR CA C 45 61.450 59.997 1.453 1
1 547 . 18 1 1 A 45 45 THR CB C 45 71.380 71.667 -0.287 1
1 549 . 18 1 1 A 45 45 THR N N 45 115.470 113.364 2.106 1
1 550 . 18 1 1 A 46 46 MET H H 46 9.100 8.926 0.174 1
1 551 . 18 1 1 A 46 46 MET HA H 46 4.730 4.988 -0.258 1
1 556 . 18 1 1 A 46 46 MET C C 46 173.520 173.813 -0.293 1
1 557 . 18 1 1 A 46 46 MET CA C 46 54.560 54.459 0.101 1
1 558 . 18 1 1 A 46 46 MET CB C 46 36.500 37.163 -0.663 1
1 560 . 18 1 1 A 46 46 MET N N 46 123.160 121.234 1.926 1
1 561 . 18 1 1 A 47 47 LEU H H 47 8.490 8.625 -0.135 1
1 562 . 18 1 1 A 47 47 LEU HA H 47 4.730 4.964 -0.234 1
1 572 . 18 1 1 A 47 47 LEU C C 47 176.210 174.667 1.543 1
1 573 . 18 1 1 A 47 47 LEU CA C 47 54.440 53.813 0.627 1
1 574 . 18 1 1 A 47 47 LEU CB C 47 42.540 44.499 -1.959 1
1 578 . 18 1 1 A 47 47 LEU N N 47 124.300 125.241 -0.941 1
1 579 . 18 1 1 A 48 48 ILE H H 48 8.990 9.240 -0.250 1
1 580 . 18 1 1 A 48 48 ILE HA H 48 4.430 4.896 -0.466 1
1 590 . 18 1 1 A 48 48 ILE C C 48 175.040 174.557 0.483 1
1 591 . 18 1 1 A 48 48 ILE CA C 48 59.150 60.189 -1.039 1
1 592 . 18 1 1 A 48 48 ILE CB C 48 39.910 40.595 -0.685 1
1 596 . 18 1 1 A 48 48 ILE N N 48 125.760 127.505 -1.745 1
1 597 . 18 1 1 A 49 49 LYS H H 49 8.710 8.948 -0.238 1
1 598 . 18 1 1 A 49 49 LYS HA H 49 4.550 5.036 -0.486 1
1 607 . 18 1 1 A 49 49 LYS C C 49 176.060 176.120 -0.060 1
1 608 . 18 1 1 A 49 49 LYS CA C 49 56.570 55.156 1.414 1
1 609 . 18 1 1 A 49 49 LYS CB C 49 33.010 34.752 -1.742 1
1 613 . 18 1 1 A 49 49 LYS N N 49 126.480 126.828 -0.348 1
1 614 . 18 1 1 A 50 50 THR H H 50 8.150 8.989 -0.839 1
1 615 . 18 1 1 A 50 50 THR HA H 50 4.860 4.947 -0.087 1
1 620 . 18 1 1 A 50 50 THR CA C 50 60.030 60.071 -0.041 1
1 621 . 18 1 1 A 50 50 THR CB C 50 72.820 71.614 1.206 1
1 623 . 18 1 1 A 50 50 THR N N 50 116.220 114.039 2.181 1
1 624 . 18 1 1 A 51 51 ILE HA H 51 4.400 3.725 0.675 1
1 634 . 18 1 1 A 51 51 ILE C C 51 176.140 177.884 -1.744 1
1 635 . 18 1 1 A 51 51 ILE CA C 51 63.450 64.081 -0.631 1
1 636 . 18 1 1 A 51 51 ILE CB C 51 37.970 37.555 0.415 1
1 640 . 18 1 1 A 52 52 HIS H H 52 7.820 8.106 -0.286 1
1 641 . 18 1 1 A 52 52 HIS HA H 52 4.830 4.250 0.580 1
1 644 . 18 1 1 A 52 52 HIS C C 52 175.190 175.331 -0.141 1
1 645 . 18 1 1 A 52 52 HIS CA C 52 55.670 58.395 -2.725 1
1 646 . 18 1 1 A 52 52 HIS CB C 52 31.260 29.693 1.567 1
1 647 . 18 1 1 A 52 52 HIS N N 52 118.280 118.456 -0.176 1
1 648 . 18 1 1 A 53 53 GLY H H 53 7.590 7.437 0.153 1
1 649 . 18 1 1 A 53 53 GLY HA2 H 53 3.880 4.005 -0.125 1
1 650 . 18 1 1 A 53 53 GLY HA3 H 53 4.510 4.018 0.492 1
1 651 . 18 1 1 A 53 53 GLY C C 53 173.360 171.412 1.948 1
1 652 . 18 1 1 A 53 53 GLY CA C 53 44.510 45.827 -1.317 1
1 653 . 18 1 1 A 53 53 GLY N N 53 108.490 103.773 4.717 1
1 654 . 18 1 1 A 54 54 GLU H H 54 8.710 8.492 0.218 1
1 655 . 18 1 1 A 54 54 GLU HA H 54 5.050 4.902 0.148 1
1 660 . 18 1 1 A 54 54 GLU C C 54 175.890 175.900 -0.010 1
1 661 . 18 1 1 A 54 54 GLU CA C 54 55.980 55.552 0.428 1
1 662 . 18 1 1 A 54 54 GLU CB C 54 31.610 32.010 -0.400 1
1 664 . 18 1 1 A 54 54 GLU N N 54 121.850 120.502 1.348 1
1 665 . 18 1 1 A 55 55 LYS H H 55 8.930 9.390 -0.460 1
1 666 . 18 1 1 A 55 55 LYS HA H 55 4.670 5.121 -0.451 1
1 675 . 18 1 1 A 55 55 LYS C C 55 174.630 174.505 0.125 1
1 676 . 18 1 1 A 55 55 LYS CA C 55 54.750 55.029 -0.279 1
1 677 . 18 1 1 A 55 55 LYS CB C 55 35.910 36.268 -0.358 1
1 681 . 18 1 1 A 55 55 LYS N N 55 123.380 123.503 -0.123 1
1 682 . 18 1 1 A 56 56 GLN H H 56 8.670 9.008 -0.338 1
1 683 . 18 1 1 A 56 56 GLN HA H 56 4.820 5.122 -0.302 1
1 688 . 18 1 1 A 56 56 GLN C C 56 175.780 174.718 1.062 1
1 689 . 18 1 1 A 56 56 GLN CA C 56 55.500 54.242 1.258 1
1 690 . 18 1 1 A 56 56 GLN CB C 56 29.470 31.930 -2.460 1
1 692 . 18 1 1 A 56 56 GLN N N 56 122.950 124.323 -1.373 1
1 693 . 18 1 1 A 57 57 GLN H H 57 9.210 8.587 0.623 1
1 694 . 18 1 1 A 57 57 GLN HA H 57 4.740 4.997 -0.257 1
1 701 . 18 1 1 A 57 57 GLN C C 57 174.100 174.236 -0.136 1
1 702 . 18 1 1 A 57 57 GLN CA C 57 54.760 54.630 0.130 1
1 703 . 18 1 1 A 57 57 GLN CB C 57 32.670 32.622 0.048 1
1 705 . 18 1 1 A 57 57 GLN N N 57 125.030 125.279 -0.249 1
1 707 . 18 1 1 A 58 58 ASP H H 58 8.570 8.748 -0.178 1
1 708 . 18 1 1 A 58 58 ASP HA H 58 4.860 5.236 -0.376 1
1 711 . 18 1 1 A 58 58 ASP C C 58 173.690 176.566 -2.876 1
1 712 . 18 1 1 A 58 58 ASP CA C 58 55.090 53.543 1.547 1
1 713 . 18 1 1 A 58 58 ASP CB C 58 42.120 42.836 -0.716 1
1 714 . 18 1 1 A 58 58 ASP N N 58 124.680 121.225 3.455 1
1 715 . 18 1 1 A 59 59 VAL H H 59 8.480 9.357 -0.877 1
1 716 . 18 1 1 A 59 59 VAL HA H 59 4.610 4.723 -0.113 1
1 724 . 18 1 1 A 59 59 VAL C C 59 174.600 175.117 -0.517 1
1 725 . 18 1 1 A 59 59 VAL CA C 59 61.130 61.617 -0.487 1
1 726 . 18 1 1 A 59 59 VAL CB C 59 34.250 32.491 1.759 1
1 729 . 18 1 1 A 59 59 VAL N N 59 121.270 122.439 -1.169 1
1 730 . 18 1 1 A 60 60 TYR H H 60 9.390 8.932 0.458 1
1 731 . 18 1 1 A 60 60 TYR HA H 60 4.800 4.981 -0.181 1
1 738 . 18 1 1 A 60 60 TYR C C 60 173.840 174.217 -0.377 1
1 739 . 18 1 1 A 60 60 TYR CA C 60 56.840 57.058 -0.218 1
1 740 . 18 1 1 A 60 60 TYR CB C 60 41.190 42.507 -1.317 1
1 745 . 18 1 1 A 60 60 TYR N N 60 125.760 123.928 1.832 1
1 746 . 18 1 1 A 61 61 TYR H H 61 9.300 9.060 0.240 1
1 747 . 18 1 1 A 61 61 TYR HA H 61 5.370 5.232 0.138 1
1 754 . 18 1 1 A 61 61 TYR C C 61 174.300 174.258 0.042 1
1 755 . 18 1 1 A 61 61 TYR CA C 61 57.490 57.001 0.489 1
1 756 . 18 1 1 A 61 61 TYR CB C 61 40.900 40.778 0.122 1
1 761 . 18 1 1 A 61 61 TYR N N 61 122.890 124.904 -2.014 1
1 762 . 18 1 1 A 62 62 LEU H H 62 8.770 8.793 -0.023 1
1 763 . 18 1 1 A 62 62 LEU HA H 62 4.780 5.132 -0.352 1
1 773 . 18 1 1 A 62 62 LEU C C 62 174.070 175.812 -1.742 1
1 774 . 18 1 1 A 62 62 LEU CA C 62 53.760 53.333 0.427 1
1 775 . 18 1 1 A 62 62 LEU CB C 62 49.020 45.752 3.268 1
1 779 . 18 1 1 A 62 62 LEU N N 62 129.700 128.986 0.714 1
1 780 . 18 1 1 A 63 63 THR H H 63 7.960 8.753 -0.793 1
1 781 . 18 1 1 A 63 63 THR HA H 63 5.410 5.051 0.359 1
1 786 . 18 1 1 A 63 63 THR C C 63 173.860 174.162 -0.302 1
1 787 . 18 1 1 A 63 63 THR CA C 63 60.850 61.166 -0.316 1
1 788 . 18 1 1 A 63 63 THR CB C 63 69.790 70.689 -0.899 1
1 790 . 18 1 1 A 63 63 THR N N 63 118.460 115.852 2.608 1
1 791 . 18 1 1 A 64 64 PHE H H 64 9.270 8.382 0.888 1
1 792 . 18 1 1 A 64 64 PHE HA H 64 5.100 5.414 -0.314 1
1 800 . 18 1 1 A 64 64 PHE C C 64 172.280 172.547 -0.267 1
1 801 . 18 1 1 A 64 64 PHE CA C 64 56.020 55.352 0.668 1
1 802 . 18 1 1 A 64 64 PHE CB C 64 38.350 42.176 -3.826 1
1 808 . 18 1 1 A 64 64 PHE N N 64 123.960 123.128 0.832 1
1 809 . 18 1 1 A 65 65 LYS H H 65 8.750 8.868 -0.118 1
1 810 . 18 1 1 A 65 65 LYS HA H 65 5.500 5.065 0.435 1
1 819 . 18 1 1 A 65 65 LYS C C 65 176.300 175.428 0.872 1
1 820 . 18 1 1 A 65 65 LYS CA C 65 54.900 55.284 -0.384 1
1 821 . 18 1 1 A 65 65 LYS CB C 65 37.730 33.923 3.807 1
1 825 . 18 1 1 A 65 65 LYS N N 65 117.930 119.429 -1.499 1
1 826 . 18 1 1 A 66 66 VAL H H 66 8.840 9.106 -0.266 1
1 827 . 18 1 1 A 66 66 VAL HA H 66 4.520 4.625 -0.105 1
1 835 . 18 1 1 A 66 66 VAL C C 66 175.550 175.878 -0.328 1
1 836 . 18 1 1 A 66 66 VAL CA C 66 62.130 61.284 0.846 1
1 837 . 18 1 1 A 66 66 VAL CB C 66 35.100 33.158 1.942 1
1 840 . 18 1 1 A 66 66 VAL N N 66 119.330 124.514 -5.184 1
1 841 . 18 1 1 A 67 67 GLN H H 67 9.690 9.201 0.489 1
1 842 . 18 1 1 A 67 67 GLN HA H 67 4.050 4.062 -0.012 1
1 849 . 18 1 1 A 67 67 GLN C C 67 176.300 176.204 0.096 1
1 850 . 18 1 1 A 67 67 GLN CA C 67 56.720 57.082 -0.362 1
1 851 . 18 1 1 A 67 67 GLN CB C 67 28.230 26.728 1.502 1
1 853 . 18 1 1 A 67 67 GLN N N 67 125.930 128.820 -2.890 1
1 855 . 18 1 1 A 68 68 GLY H H 68 8.980 8.734 0.246 1
1 856 . 18 1 1 A 68 68 GLY HA2 H 68 3.510 3.825 -0.315 1
1 857 . 18 1 1 A 68 68 GLY HA3 H 68 4.140 3.834 0.306 1
1 858 . 18 1 1 A 68 68 GLY C C 68 173.410 173.792 -0.382 1
1 859 . 18 1 1 A 68 68 GLY CA C 68 45.460 45.553 -0.093 1
1 860 . 18 1 1 A 68 68 GLY N N 68 103.510 104.721 -1.211 1
1 861 . 18 1 1 A 69 69 ARG H H 69 8.070 7.805 0.265 1
1 862 . 18 1 1 A 69 69 ARG HA H 69 4.400 4.517 -0.117 1
1 869 . 18 1 1 A 69 69 ARG C C 69 174.880 174.862 0.018 1
1 870 . 18 1 1 A 69 69 ARG CA C 69 54.730 54.390 0.340 1
1 871 . 18 1 1 A 69 69 ARG CB C 69 31.520 32.288 -0.768 1
1 874 . 18 1 1 A 69 69 ARG N N 69 122.680 119.998 2.682 1
1 875 . 18 1 1 A 70 70 LYS H H 70 8.390 8.609 -0.219 1
1 876 . 18 1 1 A 70 70 LYS HA H 70 4.220 4.269 -0.049 1
1 885 . 18 1 1 A 70 70 LYS C C 70 175.330 175.019 0.311 1
1 886 . 18 1 1 A 70 70 LYS CA C 70 57.860 56.862 0.998 1
1 887 . 18 1 1 A 70 70 LYS CB C 70 32.790 32.880 -0.090 1
1 891 . 18 1 1 A 70 70 LYS N N 70 123.590 126.828 -3.238 1
1 892 . 18 1 1 A 71 71 VAL H H 71 9.050 8.647 0.403 1
1 893 . 18 1 1 A 71 71 VAL HA H 71 4.140 4.503 -0.363 1
1 901 . 18 1 1 A 71 71 VAL C C 71 173.310 173.961 -0.651 1
1 902 . 18 1 1 A 71 71 VAL CA C 71 61.370 60.742 0.628 1
1 903 . 18 1 1 A 71 71 VAL CB C 71 34.610 35.215 -0.605 1
1 906 . 18 1 1 A 71 71 VAL N N 71 128.340 126.843 1.497 1
1 907 . 18 1 1 A 72 72 GLU H H 72 8.150 8.533 -0.383 1
1 908 . 18 1 1 A 72 72 GLU HA H 72 4.970 4.875 0.095 1
1 913 . 18 1 1 A 72 72 GLU C C 72 174.910 175.501 -0.591 1
1 914 . 18 1 1 A 72 72 GLU CA C 72 54.490 54.935 -0.445 1
1 915 . 18 1 1 A 72 72 GLU CB C 72 31.410 32.266 -0.856 1
1 917 . 18 1 1 A 72 72 GLU N N 72 124.430 125.623 -1.193 1
1 918 . 18 1 1 A 73 73 ALA H H 73 8.420 8.123 0.297 1
1 919 . 18 1 1 A 73 73 ALA HA H 73 4.770 4.699 0.071 1
1 923 . 18 1 1 A 73 73 ALA C C 73 175.140 176.014 -0.874 1
1 924 . 18 1 1 A 73 73 ALA CA C 73 51.050 50.901 0.149 1
1 925 . 18 1 1 A 73 73 ALA CB C 73 23.060 23.220 -0.160 1
1 926 . 18 1 1 A 73 73 ALA N N 73 124.790 122.756 2.034 1
1 927 . 18 1 1 A 74 74 GLU H H 74 8.520 8.506 0.014 1
1 928 . 18 1 1 A 74 74 GLU HA H 74 5.260 5.186 0.074 1
1 933 . 18 1 1 A 74 74 GLU C C 74 176.570 176.499 0.071 1
1 934 . 18 1 1 A 74 74 GLU CA C 74 55.770 57.018 -1.248 1
1 935 . 18 1 1 A 74 74 GLU CB C 74 29.840 30.288 -0.448 1
1 937 . 18 1 1 A 74 74 GLU N N 74 120.480 119.093 1.387 1
1 938 . 18 1 1 A 75 75 VAL H H 75 9.240 9.923 -0.683 1
1 939 . 18 1 1 A 75 75 VAL HA H 75 5.730 5.055 0.675 1
1 947 . 18 1 1 A 75 75 VAL C C 75 174.700 173.729 0.971 1
1 948 . 18 1 1 A 75 75 VAL CA C 75 57.950 59.049 -1.099 1
1 949 . 18 1 1 A 75 75 VAL CB C 75 36.540 35.565 0.975 1
1 952 . 18 1 1 A 75 75 VAL N N 75 113.070 118.874 -5.804 1
1 953 . 18 1 1 A 76 76 LEU H H 76 8.420 8.568 -0.148 1
1 954 . 18 1 1 A 76 76 LEU HA H 76 5.110 5.120 -0.010 1
1 964 . 18 1 1 A 76 76 LEU C C 76 176.970 176.352 0.618 1
1 965 . 18 1 1 A 76 76 LEU CA C 76 52.370 53.248 -0.878 1
1 966 . 18 1 1 A 76 76 LEU CB C 76 45.230 44.792 0.438 1
1 970 . 18 1 1 A 76 76 LEU N N 76 117.790 125.876 -8.086 1
1 971 . 18 1 1 A 77 77 ALA H H 77 8.930 8.523 0.407 1
1 972 . 18 1 1 A 77 77 ALA HA H 77 4.500 5.026 -0.526 1
1 976 . 18 1 1 A 77 77 ALA C C 77 177.950 176.766 1.184 1
1 977 . 18 1 1 A 77 77 ALA CA C 77 52.090 51.818 0.272 1
1 978 . 18 1 1 A 77 77 ALA CB C 77 20.280 19.437 0.843 1
1 979 . 18 1 1 A 77 77 ALA N N 77 122.210 128.387 -6.177 1
1 980 . 18 1 1 A 78 78 SER H H 78 8.380 8.440 -0.060 1
1 981 . 18 1 1 A 78 78 SER HA H 78 5.010 4.897 0.113 1
1 984 . 18 1 1 A 78 78 SER CA C 78 54.230 55.079 -0.849 1
1 985 . 18 1 1 A 78 78 SER CB C 78 66.050 66.091 -0.041 1
1 986 . 18 1 1 A 78 78 SER N N 78 117.830 117.501 0.329 1
1 987 . 18 1 1 A 79 79 PRO HA H 79 4.660 4.460 0.200 1
1 994 . 18 1 1 A 79 79 PRO C C 79 176.150 175.956 0.194 1
1 995 . 18 1 1 A 79 79 PRO CA C 79 62.860 63.223 -0.363 1
1 996 . 18 1 1 A 79 79 PRO CB C 79 31.230 31.646 -0.416 1
1 999 . 18 1 1 A 80 80 TYR H H 80 7.380 7.236 0.144 1
1 1000 . 18 1 1 A 80 80 TYR HA H 80 4.710 4.718 -0.008 1
1 1007 . 18 1 1 A 80 80 TYR C C 80 175.550 175.234 0.316 1
1 1008 . 18 1 1 A 80 80 TYR CA C 80 56.150 57.648 -1.498 1
1 1009 . 18 1 1 A 80 80 TYR CB C 80 38.490 39.216 -0.726 1
1 1014 . 18 1 1 A 80 80 TYR N N 80 120.860 120.554 0.306 1
1 1015 . 18 1 1 A 81 81 ASP H H 81 8.290 9.362 -1.072 1
1 1016 . 18 1 1 A 81 81 ASP HA H 81 4.640 5.058 -0.418 1
1 1019 . 18 1 1 A 81 81 ASP C C 81 175.290 175.078 0.212 1
1 1020 . 18 1 1 A 81 81 ASP CA C 81 53.560 54.216 -0.656 1
1 1021 . 18 1 1 A 81 81 ASP CB C 81 40.650 41.919 -1.269 1
1 1022 . 18 1 1 A 81 81 ASP N N 81 115.600 120.624 -5.024 1
1 1023 . 18 1 1 A 82 82 TYR H H 82 6.680 7.702 -1.022 1
1 1024 . 18 1 1 A 82 82 TYR HA H 82 5.160 5.084 0.076 1
1 1031 . 18 1 1 A 82 82 TYR C C 82 173.930 173.068 0.862 1
1 1032 . 18 1 1 A 82 82 TYR CA C 82 53.190 56.100 -2.910 1
1 1033 . 18 1 1 A 82 82 TYR CB C 82 40.820 41.426 -0.606 1
1 1038 . 18 1 1 A 82 82 TYR N N 82 116.100 116.484 -0.384 1
1 1039 . 18 1 1 A 83 83 ILE H H 83 8.900 8.659 0.241 1
1 1040 . 18 1 1 A 83 83 ILE HA H 83 4.480 4.567 -0.087 1
1 1050 . 18 1 1 A 83 83 ILE C C 83 175.160 174.804 0.356 1
1 1051 . 18 1 1 A 83 83 ILE CA C 83 60.940 59.300 1.640 1
1 1052 . 18 1 1 A 83 83 ILE CB C 83 40.980 41.836 -0.856 1
1 1056 . 18 1 1 A 83 83 ILE N N 83 119.050 119.199 -0.149 1
1 1057 . 18 1 1 A 84 84 LEU H H 84 8.740 9.050 -0.310 1
1 1058 . 18 1 1 A 84 84 LEU HA H 84 5.140 5.367 -0.227 1
1 1068 . 18 1 1 A 84 84 LEU C C 84 174.920 175.505 -0.585 1
1 1069 . 18 1 1 A 84 84 LEU CA C 84 53.800 53.386 0.414 1
1 1070 . 18 1 1 A 84 84 LEU CB C 84 44.100 44.018 0.082 1
1 1074 . 18 1 1 A 84 84 LEU N N 84 130.660 126.196 4.464 1
1 1075 . 18 1 1 A 85 85 LEU H H 85 9.010 8.960 0.050 1
1 1076 . 18 1 1 A 85 85 LEU HA H 85 4.470 4.977 -0.507 1
1 1086 . 18 1 1 A 85 85 LEU C C 85 174.660 175.523 -0.863 1
1 1087 . 18 1 1 A 85 85 LEU CA C 85 54.080 53.661 0.419 1
1 1088 . 18 1 1 A 85 85 LEU CB C 85 44.350 43.768 0.582 1
1 1092 . 18 1 1 A 85 85 LEU N N 85 125.210 124.132 1.078 1
1 1093 . 18 1 1 A 86 86 ASN H H 86 8.370 8.462 -0.092 1
1 1094 . 18 1 1 A 86 86 ASN HA H 86 4.680 4.805 -0.125 1
1 1099 . 18 1 1 A 86 86 ASN CA C 86 49.780 50.821 -1.041 1
1 1100 . 18 1 1 A 86 86 ASN CB C 86 38.890 40.287 -1.397 1
1 1101 . 18 1 1 A 86 86 ASN N N 86 122.970 122.753 0.217 1
1 1103 . 18 1 1 A 87 87 PRO HA H 87 3.600 4.679 -1.079 1
1 1110 . 18 1 1 A 87 87 PRO C C 87 178.740 177.833 0.907 1
1 1111 . 18 1 1 A 87 87 PRO CA C 87 65.050 64.637 0.413 1
1 1112 . 18 1 1 A 87 87 PRO CB C 87 33.160 32.019 1.141 1
1 1115 . 18 1 1 A 88 88 SER H H 88 7.580 9.235 -1.655 1
1 1116 . 18 1 1 A 88 88 SER HA H 88 4.100 4.259 -0.159 1
1 1119 . 18 1 1 A 88 88 SER C C 88 175.480 176.713 -1.233 1
1 1120 . 18 1 1 A 88 88 SER CA C 88 60.730 60.723 0.007 1
1 1121 . 18 1 1 A 88 88 SER CB C 88 62.870 62.633 0.237 1
1 1122 . 18 1 1 A 88 88 SER N N 88 109.530 112.046 -2.516 1
1 1123 . 18 1 1 A 89 89 ASP H H 89 8.170 8.164 0.006 1
1 1124 . 18 1 1 A 89 89 ASP HA H 89 4.770 4.572 0.198 1
1 1127 . 18 1 1 A 89 89 ASP C C 89 175.730 177.083 -1.353 1
1 1128 . 18 1 1 A 89 89 ASP CA C 89 56.030 56.742 -0.712 1
1 1129 . 18 1 1 A 89 89 ASP CB C 89 41.380 41.323 0.057 1
1 1130 . 18 1 1 A 89 89 ASP N N 89 118.600 120.391 -1.791 1
1 1131 . 18 1 1 A 90 90 VAL H H 90 7.050 7.226 -0.176 1
1 1132 . 18 1 1 A 90 90 VAL HA H 90 4.050 2.895 1.155 1
1 1140 . 18 1 1 A 90 90 VAL CA C 90 56.960 58.391 -1.431 1
1 1141 . 18 1 1 A 90 90 VAL CB C 90 31.710 31.180 0.530 1
1 1144 . 18 1 1 A 90 90 VAL N N 90 109.580 112.612 -3.032 1
1 1145 . 18 1 1 A 91 91 PRO HA H 91 4.250 4.374 -0.124 1
1 1152 . 18 1 1 A 91 91 PRO C C 91 176.870 177.817 -0.947 1
1 1153 . 18 1 1 A 91 91 PRO CA C 91 65.190 64.458 0.732 1
1 1154 . 18 1 1 A 91 91 PRO CB C 91 31.470 31.819 -0.349 1
1 1157 . 18 1 1 A 92 92 TRP H H 92 6.720 7.958 -1.238 1
1 1158 . 18 1 1 A 92 92 TRP HA H 92 4.570 4.453 0.117 1
1 1167 . 18 1 1 A 92 92 TRP C C 92 176.630 179.271 -2.641 1
1 1168 . 18 1 1 A 92 92 TRP CA C 92 56.910 59.992 -3.082 1
1 1169 . 18 1 1 A 92 92 TRP CB C 92 27.990 28.125 -0.135 1
1 1175 . 18 1 1 A 92 92 TRP N N 92 115.110 117.888 -2.778 1
1 1177 . 18 1 1 A 93 93 LEU H H 93 7.150 6.831 0.319 1
1 1178 . 18 1 1 A 93 93 LEU HA H 93 4.220 3.994 0.226 1
1 1188 . 18 1 1 A 93 93 LEU C C 93 176.210 176.733 -0.523 1
1 1189 . 18 1 1 A 93 93 LEU CA C 93 55.350 57.313 -1.963 1
1 1190 . 18 1 1 A 93 93 LEU CB C 93 42.190 41.863 0.327 1
1 1194 . 18 1 1 A 93 93 LEU N N 93 123.090 120.341 2.749 1
1 1195 . 18 1 1 A 94 94 MET H H 94 7.730 7.534 0.196 1
1 1196 . 18 1 1 A 94 94 MET HA H 94 4.340 4.807 -0.467 1
1 1201 . 18 1 1 A 94 94 MET C C 94 175.550 175.453 0.097 1
1 1202 . 18 1 1 A 94 94 MET CA C 94 55.120 53.996 1.124 1
1 1203 . 18 1 1 A 94 94 MET CB C 94 32.630 34.549 -1.919 1
1 1205 . 18 1 1 A 94 94 MET N N 94 118.250 116.051 2.199 1
1 1206 . 18 1 1 A 95 95 LYS H H 95 7.950 8.457 -0.507 1
1 1207 . 18 1 1 A 95 95 LYS HA H 95 4.260 4.690 -0.430 1
1 1210 . 18 1 1 A 95 95 LYS C C 95 176.130 175.059 1.071 1
1 1211 . 18 1 1 A 95 95 LYS CA C 95 56.150 55.736 0.414 1
1 1212 . 18 1 1 A 95 95 LYS CB C 95 33.010 33.808 -0.798 1
1 1213 . 18 1 1 A 95 95 LYS N N 95 121.650 122.187 -0.537 1
1 1214 . 18 1 1 A 96 96 LYS H H 96 8.260 8.715 -0.455 1
1 1215 . 18 1 1 A 96 96 LYS N N 96 123.570 124.278 -0.708 1
1 1216 . 18 1 1 A 97 97 PRO HA H 97 4.530 4.431 0.099 1
1 1219 . 18 1 1 A 97 97 PRO C C 97 176.830 177.379 -0.549 1
1 1220 . 18 1 1 A 97 97 PRO CA C 97 63.180 63.687 -0.507 1
1 1221 . 18 1 1 A 97 97 PRO CB C 97 32.050 32.111 -0.061 1
1 88 . 19 1 1 A 9 9 PRO HA H 9 4.410 4.014 0.396 1
1 95 . 19 1 1 A 9 9 PRO C C 9 176.460 176.200 0.260 1
1 96 . 19 1 1 A 9 9 PRO CA C 9 63.030 62.336 0.694 1
1 97 . 19 1 1 A 9 9 PRO CB C 9 32.210 31.717 0.493 1
1 100 . 19 1 1 A 10 10 LEU H H 10 9.190 9.126 0.064 1
1 101 . 19 1 1 A 10 10 LEU HA H 10 4.640 4.734 -0.094 1
1 111 . 19 1 1 A 10 10 LEU C C 10 176.620 176.757 -0.137 1
1 112 . 19 1 1 A 10 10 LEU CA C 10 53.420 53.654 -0.234 1
1 113 . 19 1 1 A 10 10 LEU CB C 10 44.290 43.482 0.808 1
1 117 . 19 1 1 A 10 10 LEU N N 10 123.060 122.141 0.919 1
1 118 . 19 1 1 A 11 11 GLU H H 11 8.720 8.523 0.197 1
1 119 . 19 1 1 A 11 11 GLU HA H 11 4.490 4.949 -0.459 1
1 124 . 19 1 1 A 11 11 GLU C C 11 176.620 176.096 0.524 1
1 125 . 19 1 1 A 11 11 GLU CA C 11 57.060 55.748 1.312 1
1 126 . 19 1 1 A 11 11 GLU CB C 11 30.820 30.997 -0.177 1
1 128 . 19 1 1 A 11 11 GLU N N 11 121.330 122.065 -0.735 1
1 129 . 19 1 1 A 12 12 ALA H H 12 8.760 8.794 -0.034 1
1 130 . 19 1 1 A 12 12 ALA HA H 12 5.390 5.399 -0.009 1
1 134 . 19 1 1 A 12 12 ALA C C 12 176.040 175.126 0.914 1
1 135 . 19 1 1 A 12 12 ALA CA C 12 50.350 50.890 -0.540 1
1 136 . 19 1 1 A 12 12 ALA CB C 12 24.490 23.880 0.610 1
1 137 . 19 1 1 A 12 12 ALA N N 12 127.010 123.909 3.101 1
1 138 . 19 1 1 A 13 13 GLU H H 13 8.850 8.937 -0.087 1
1 139 . 19 1 1 A 13 13 GLU HA H 13 5.240 5.493 -0.253 1
1 144 . 19 1 1 A 13 13 GLU C C 13 175.320 174.834 0.486 1
1 145 . 19 1 1 A 13 13 GLU CA C 13 55.580 55.155 0.425 1
1 146 . 19 1 1 A 13 13 GLU CB C 13 34.410 32.406 2.004 1
1 148 . 19 1 1 A 13 13 GLU N N 13 119.980 121.241 -1.261 1
1 149 . 19 1 1 A 14 14 ILE H H 14 8.420 8.650 -0.230 1
1 150 . 19 1 1 A 14 14 ILE HA H 14 4.210 4.720 -0.510 1
1 160 . 19 1 1 A 14 14 ILE C C 14 174.520 175.970 -1.450 1
1 161 . 19 1 1 A 14 14 ILE CA C 14 61.000 59.959 1.041 1
1 162 . 19 1 1 A 14 14 ILE CB C 14 40.430 39.108 1.322 1
1 166 . 19 1 1 A 14 14 ILE N N 14 123.990 128.028 -4.038 1
1 167 . 19 1 1 A 15 15 LYS H H 15 9.590 9.689 -0.099 1
1 168 . 19 1 1 A 15 15 LYS HA H 15 3.880 4.067 -0.187 1
1 177 . 19 1 1 A 15 15 LYS C C 15 176.880 176.635 0.245 1
1 178 . 19 1 1 A 15 15 LYS CA C 15 57.890 57.571 0.319 1
1 179 . 19 1 1 A 15 15 LYS CB C 15 30.550 30.413 0.137 1
1 183 . 19 1 1 A 15 15 LYS N N 15 124.930 128.441 -3.511 1
1 184 . 19 1 1 A 16 16 GLY H H 16 8.730 8.527 0.203 1
1 185 . 19 1 1 A 16 16 GLY HA2 H 16 3.670 3.899 -0.229 1
1 186 . 19 1 1 A 16 16 GLY HA3 H 16 4.230 3.904 0.326 1
1 187 . 19 1 1 A 16 16 GLY C C 16 174.360 174.290 0.070 1
1 188 . 19 1 1 A 16 16 GLY CA C 16 45.540 45.271 0.269 1
1 189 . 19 1 1 A 16 16 GLY N N 16 104.580 105.817 -1.237 1
1 190 . 19 1 1 A 17 17 THR H H 17 8.400 7.900 0.500 1
1 191 . 19 1 1 A 17 17 THR HA H 17 4.490 4.287 0.203 1
1 196 . 19 1 1 A 17 17 THR C C 17 172.970 174.047 -1.077 1
1 197 . 19 1 1 A 17 17 THR CA C 17 62.580 63.220 -0.640 1
1 198 . 19 1 1 A 17 17 THR CB C 17 70.320 69.695 0.625 1
1 200 . 19 1 1 A 17 17 THR N N 17 120.070 116.328 3.742 1
1 201 . 19 1 1 A 18 18 LYS H H 18 8.750 8.665 0.085 1
1 202 . 19 1 1 A 18 18 LYS HA H 18 4.920 4.609 0.311 1
1 211 . 19 1 1 A 18 18 LYS C C 18 175.860 175.262 0.598 1
1 212 . 19 1 1 A 18 18 LYS CA C 18 56.350 56.494 -0.144 1
1 213 . 19 1 1 A 18 18 LYS CB C 18 32.940 32.922 0.018 1
1 217 . 19 1 1 A 18 18 LYS N N 18 127.270 127.669 -0.399 1
1 218 . 19 1 1 A 19 19 LEU H H 19 8.750 9.562 -0.812 1
1 219 . 19 1 1 A 19 19 LEU HA H 19 4.850 5.148 -0.298 1
1 229 . 19 1 1 A 19 19 LEU C C 19 174.210 175.207 -0.997 1
1 230 . 19 1 1 A 19 19 LEU CA C 19 55.160 53.560 1.600 1
1 231 . 19 1 1 A 19 19 LEU CB C 19 43.340 46.345 -3.005 1
1 235 . 19 1 1 A 19 19 LEU N N 19 123.470 128.336 -4.866 1
1 236 . 19 1 1 A 20 20 LYS H H 20 8.660 8.409 0.251 1
1 237 . 19 1 1 A 20 20 LYS HA H 20 5.180 4.668 0.512 1
1 246 . 19 1 1 A 20 20 LYS C C 20 175.650 175.840 -0.190 1
1 247 . 19 1 1 A 20 20 LYS CA C 20 54.630 56.007 -1.377 1
1 248 . 19 1 1 A 20 20 LYS CB C 20 34.710 34.163 0.547 1
1 252 . 19 1 1 A 20 20 LYS N N 20 118.320 124.564 -6.244 1
1 253 . 19 1 1 A 21 21 ALA H H 21 8.860 8.765 0.095 1
1 254 . 19 1 1 A 21 21 ALA HA H 21 5.470 5.422 0.048 1
1 258 . 19 1 1 A 21 21 ALA C C 21 174.740 175.711 -0.971 1
1 259 . 19 1 1 A 21 21 ALA CA C 21 49.510 50.769 -1.259 1
1 260 . 19 1 1 A 21 21 ALA CB C 21 22.990 23.940 -0.950 1
1 261 . 19 1 1 A 21 21 ALA N N 21 120.460 121.567 -1.107 1
1 262 . 19 1 1 A 22 22 HIS H H 22 9.140 9.436 -0.296 1
1 263 . 19 1 1 A 22 22 HIS HA H 22 5.070 5.191 -0.121 1
1 268 . 19 1 1 A 22 22 HIS C C 22 174.310 174.162 0.148 1
1 269 . 19 1 1 A 22 22 HIS CA C 22 54.040 53.867 0.173 1
1 270 . 19 1 1 A 22 22 HIS CB C 22 32.390 33.166 -0.776 1
1 272 . 19 1 1 A 22 22 HIS N N 22 119.890 116.146 3.744 1
1 273 . 19 1 1 A 23 23 TRP H H 23 9.160 8.995 0.165 1
1 274 . 19 1 1 A 23 23 TRP HA H 23 4.360 4.723 -0.363 1
1 283 . 19 1 1 A 23 23 TRP C C 23 175.070 175.026 0.044 1
1 284 . 19 1 1 A 23 23 TRP CA C 23 59.160 57.716 1.444 1
1 285 . 19 1 1 A 23 23 TRP CB C 23 30.710 29.881 0.829 1
1 291 . 19 1 1 A 23 23 TRP N N 23 126.610 126.834 -0.224 1
1 293 . 19 1 1 A 24 24 ASP H H 24 7.720 7.932 -0.212 1
1 294 . 19 1 1 A 24 24 ASP HA H 24 4.880 4.834 0.046 1
1 297 . 19 1 1 A 24 24 ASP C C 24 175.340 175.417 -0.077 1
1 298 . 19 1 1 A 24 24 ASP CA C 24 53.030 52.395 0.635 1
1 299 . 19 1 1 A 24 24 ASP CB C 24 43.510 41.530 1.980 1
1 300 . 19 1 1 A 24 24 ASP N N 24 126.750 128.706 -1.956 1
1 301 . 19 1 1 A 25 25 SER H H 25 8.490 8.301 0.189 1
1 302 . 19 1 1 A 25 25 SER HA H 25 3.580 3.466 0.114 1
1 305 . 19 1 1 A 25 25 SER C C 25 175.340 176.611 -1.271 1
1 306 . 19 1 1 A 25 25 SER CA C 25 60.640 60.913 -0.273 1
1 307 . 19 1 1 A 25 25 SER CB C 25 62.990 62.283 0.707 1
1 308 . 19 1 1 A 25 25 SER N N 25 119.220 119.633 -0.413 1
1 309 . 19 1 1 A 26 26 GLY H H 26 8.670 7.797 0.873 1
1 310 . 19 1 1 A 26 26 GLY HA2 H 26 3.630 3.912 -0.282 1
1 311 . 19 1 1 A 26 26 GLY HA3 H 26 4.200 3.916 0.284 1
1 312 . 19 1 1 A 26 26 GLY C C 26 174.190 174.511 -0.321 1
1 313 . 19 1 1 A 26 26 GLY CA C 26 44.760 46.327 -1.567 1
1 314 . 19 1 1 A 26 26 GLY N N 26 109.290 109.154 0.136 1
1 315 . 19 1 1 A 27 27 ALA H H 27 7.550 7.559 -0.009 1
1 316 . 19 1 1 A 27 27 ALA HA H 27 4.370 4.296 0.074 1
1 320 . 19 1 1 A 27 27 ALA C C 27 178.430 178.349 0.081 1
1 321 . 19 1 1 A 27 27 ALA CA C 27 52.240 51.959 0.281 1
1 322 . 19 1 1 A 27 27 ALA CB C 27 18.240 19.566 -1.326 1
1 323 . 19 1 1 A 27 27 ALA N N 27 124.840 123.360 1.480 1
1 324 . 19 1 1 A 28 28 THR H H 28 8.260 8.827 -0.567 1
1 325 . 19 1 1 A 28 28 THR HA H 28 4.230 4.444 -0.214 1
1 330 . 19 1 1 A 28 28 THR C C 28 173.830 174.411 -0.581 1
1 331 . 19 1 1 A 28 28 THR CA C 28 62.180 61.836 0.344 1
1 332 . 19 1 1 A 28 28 THR CB C 28 69.240 69.491 -0.251 1
1 333 . 19 1 1 A 28 28 THR N N 28 112.480 111.939 0.541 1
1 334 . 19 1 1 A 29 29 ILE H H 29 7.460 7.520 -0.060 1
1 335 . 19 1 1 A 29 29 ILE HA H 29 4.540 4.704 -0.164 1
1 345 . 19 1 1 A 29 29 ILE C C 29 173.440 174.479 -1.039 1
1 346 . 19 1 1 A 29 29 ILE CA C 29 60.540 59.650 0.890 1
1 347 . 19 1 1 A 29 29 ILE CB C 29 40.780 41.921 -1.141 1
1 351 . 19 1 1 A 29 29 ILE N N 29 118.820 121.863 -3.043 1
1 352 . 19 1 1 A 30 30 THR H H 30 9.380 8.642 0.738 1
1 353 . 19 1 1 A 30 30 THR HA H 30 4.870 4.499 0.371 1
1 358 . 19 1 1 A 30 30 THR C C 30 173.600 174.008 -0.408 1
1 359 . 19 1 1 A 30 30 THR CA C 30 64.280 63.049 1.231 1
1 360 . 19 1 1 A 30 30 THR CB C 30 69.840 69.539 0.301 1
1 361 . 19 1 1 A 30 30 THR N N 30 129.290 120.787 8.503 1
1 362 . 19 1 1 A 31 31 CYS H H 31 9.180 8.941 0.239 1
1 363 . 19 1 1 A 31 31 CYS HA H 31 5.530 5.184 0.346 1
1 366 . 19 1 1 A 31 31 CYS C C 31 174.420 173.383 1.037 1
1 367 . 19 1 1 A 31 31 CYS CA C 31 56.540 57.599 -1.059 1
1 368 . 19 1 1 A 31 31 CYS CB C 31 30.780 31.527 -0.747 1
1 369 . 19 1 1 A 31 31 CYS N N 31 122.220 125.152 -2.932 1
1 370 . 19 1 1 A 32 32 VAL H H 32 9.090 8.662 0.428 1
1 371 . 19 1 1 A 32 32 VAL HA H 32 4.710 4.703 0.007 1
1 379 . 19 1 1 A 32 32 VAL CA C 32 57.300 57.868 -0.568 1
1 380 . 19 1 1 A 32 32 VAL CB C 32 32.860 34.567 -1.707 1
1 383 . 19 1 1 A 32 32 VAL N N 32 117.890 118.469 -0.579 1
1 384 . 19 1 1 A 33 33 PRO HA H 33 4.530 5.184 -0.654 1
1 391 . 19 1 1 A 33 33 PRO C C 33 178.110 177.799 0.311 1
1 392 . 19 1 1 A 33 33 PRO CA C 33 64.140 62.535 1.605 1
1 393 . 19 1 1 A 33 33 PRO CB C 33 32.200 31.843 0.357 1
1 396 . 19 1 1 A 34 34 GLU H H 34 8.380 8.642 -0.262 1
1 397 . 19 1 1 A 34 34 GLU HA H 34 3.730 3.926 -0.196 1
1 402 . 19 1 1 A 34 34 GLU C C 34 177.830 178.297 -0.467 1
1 403 . 19 1 1 A 34 34 GLU CA C 34 59.480 59.598 -0.118 1
1 404 . 19 1 1 A 34 34 GLU CB C 34 29.860 29.455 0.405 1
1 406 . 19 1 1 A 34 34 GLU N N 34 122.200 124.709 -2.509 1
1 407 . 19 1 1 A 35 35 ALA H H 35 9.050 8.227 0.823 1
1 408 . 19 1 1 A 35 35 ALA HA H 35 4.030 4.082 -0.052 1
1 412 . 19 1 1 A 35 35 ALA C C 35 180.250 179.086 1.164 1
1 413 . 19 1 1 A 35 35 ALA CA C 35 54.850 54.934 -0.084 1
1 414 . 19 1 1 A 35 35 ALA CB C 35 18.160 18.577 -0.417 1
1 415 . 19 1 1 A 35 35 ALA N N 35 123.090 121.865 1.225 1
1 416 . 19 1 1 A 36 36 PHE H H 36 7.510 8.736 -1.226 1
1 417 . 19 1 1 A 36 36 PHE HA H 36 4.370 4.345 0.025 1
1 425 . 19 1 1 A 36 36 PHE C C 36 174.870 176.847 -1.977 1
1 426 . 19 1 1 A 36 36 PHE CA C 36 60.160 59.765 0.395 1
1 427 . 19 1 1 A 36 36 PHE CB C 36 38.930 39.235 -0.305 1
1 433 . 19 1 1 A 36 36 PHE N N 36 112.030 115.163 -3.133 1
1 434 . 19 1 1 A 37 37 LEU H H 37 7.640 8.103 -0.463 1
1 435 . 19 1 1 A 37 37 LEU HA H 37 4.230 4.444 -0.214 1
1 445 . 19 1 1 A 37 37 LEU C C 37 177.380 177.371 0.009 1
1 446 . 19 1 1 A 37 37 LEU CA C 37 53.080 54.607 -1.527 1
1 447 . 19 1 1 A 37 37 LEU CB C 37 41.050 42.065 -1.015 1
1 451 . 19 1 1 A 37 37 LEU N N 37 116.800 118.973 -2.173 1
1 452 . 19 1 1 A 38 38 GLU H H 38 7.050 7.746 -0.696 1
1 453 . 19 1 1 A 38 38 GLU HA H 38 3.980 4.006 -0.026 1
1 458 . 19 1 1 A 38 38 GLU C C 38 176.630 177.123 -0.493 1
1 459 . 19 1 1 A 38 38 GLU CA C 38 59.250 58.949 0.301 1
1 460 . 19 1 1 A 38 38 GLU CB C 38 29.870 29.587 0.283 1
1 462 . 19 1 1 A 38 38 GLU N N 38 121.260 121.350 -0.090 1
1 463 . 19 1 1 A 39 39 ASP H H 39 8.690 7.734 0.956 1
1 464 . 19 1 1 A 39 39 ASP HA H 39 4.700 4.903 -0.203 1
1 467 . 19 1 1 A 39 39 ASP C C 39 175.570 175.188 0.382 1
1 468 . 19 1 1 A 39 39 ASP CA C 39 53.760 53.998 -0.238 1
1 469 . 19 1 1 A 39 39 ASP CB C 39 40.010 42.017 -2.007 1
1 470 . 19 1 1 A 39 39 ASP N N 39 115.590 116.750 -1.160 1
1 471 . 19 1 1 A 40 40 GLU H H 40 7.460 8.310 -0.850 1
1 472 . 19 1 1 A 40 40 GLU HA H 40 4.720 4.950 -0.230 1
1 477 . 19 1 1 A 40 40 GLU C C 40 175.660 175.852 -0.192 1
1 478 . 19 1 1 A 40 40 GLU CA C 40 54.240 54.860 -0.620 1
1 479 . 19 1 1 A 40 40 GLU CB C 40 31.240 31.210 0.030 1
1 481 . 19 1 1 A 40 40 GLU N N 40 118.210 118.372 -0.162 1
1 482 . 19 1 1 A 41 41 ARG H H 41 9.130 8.561 0.569 1
1 483 . 19 1 1 A 41 41 ARG HA H 41 5.080 4.923 0.157 1
1 490 . 19 1 1 A 41 41 ARG CA C 41 52.540 52.364 0.176 1
1 491 . 19 1 1 A 41 41 ARG CB C 41 31.240 31.892 -0.652 1
1 494 . 19 1 1 A 41 41 ARG N N 41 121.830 121.800 0.030 1
1 495 . 19 1 1 A 42 42 PRO HA H 42 3.840 4.061 -0.221 1
1 502 . 19 1 1 A 42 42 PRO C C 42 177.180 177.258 -0.078 1
1 503 . 19 1 1 A 42 42 PRO CA C 42 63.010 61.907 1.103 1
1 504 . 19 1 1 A 42 42 PRO CB C 42 32.490 31.405 1.085 1
1 507 . 19 1 1 A 43 43 ILE H H 43 9.110 8.227 0.883 1
1 508 . 19 1 1 A 43 43 ILE HA H 43 4.410 4.069 0.341 1
1 518 . 19 1 1 A 43 43 ILE C C 43 176.220 175.998 0.222 1
1 519 . 19 1 1 A 43 43 ILE CA C 43 61.480 62.297 -0.817 1
1 520 . 19 1 1 A 43 43 ILE CB C 43 39.510 38.344 1.166 1
1 524 . 19 1 1 A 43 43 ILE N N 43 115.610 118.769 -3.159 1
1 525 . 19 1 1 A 44 44 GLN H H 44 7.750 7.585 0.165 1
1 526 . 19 1 1 A 44 44 GLN HA H 44 4.610 4.801 -0.191 1
1 533 . 19 1 1 A 44 44 GLN C C 44 173.610 173.927 -0.317 1
1 534 . 19 1 1 A 44 44 GLN CA C 44 55.140 54.087 1.053 1
1 535 . 19 1 1 A 44 44 GLN CB C 44 31.460 33.632 -2.172 1
1 537 . 19 1 1 A 44 44 GLN N N 44 118.360 119.569 -1.209 1
1 539 . 19 1 1 A 45 45 THR H H 45 8.560 8.758 -0.198 1
1 540 . 19 1 1 A 45 45 THR HA H 45 5.140 5.163 -0.023 1
1 545 . 19 1 1 A 45 45 THR C C 45 177.830 173.338 4.492 1
1 546 . 19 1 1 A 45 45 THR CA C 45 61.450 59.922 1.528 1
1 547 . 19 1 1 A 45 45 THR CB C 45 71.380 71.702 -0.322 1
1 549 . 19 1 1 A 45 45 THR N N 45 115.470 112.881 2.589 1
1 550 . 19 1 1 A 46 46 MET H H 46 9.100 9.407 -0.307 1
1 551 . 19 1 1 A 46 46 MET HA H 46 4.730 5.177 -0.447 1
1 556 . 19 1 1 A 46 46 MET C C 46 173.520 173.947 -0.427 1
1 557 . 19 1 1 A 46 46 MET CA C 46 54.560 54.325 0.235 1
1 558 . 19 1 1 A 46 46 MET CB C 46 36.500 37.008 -0.508 1
1 560 . 19 1 1 A 46 46 MET N N 46 123.160 121.562 1.598 1
1 561 . 19 1 1 A 47 47 LEU H H 47 8.490 8.948 -0.458 1
1 562 . 19 1 1 A 47 47 LEU HA H 47 4.730 5.061 -0.331 1
1 572 . 19 1 1 A 47 47 LEU C C 47 176.210 174.862 1.348 1
1 573 . 19 1 1 A 47 47 LEU CA C 47 54.440 53.507 0.933 1
1 574 . 19 1 1 A 47 47 LEU CB C 47 42.540 44.491 -1.951 1
1 578 . 19 1 1 A 47 47 LEU N N 47 124.300 124.973 -0.673 1
1 579 . 19 1 1 A 48 48 ILE H H 48 8.990 9.528 -0.538 1
1 580 . 19 1 1 A 48 48 ILE HA H 48 4.430 4.850 -0.420 1
1 590 . 19 1 1 A 48 48 ILE C C 48 175.040 174.089 0.951 1
1 591 . 19 1 1 A 48 48 ILE CA C 48 59.150 59.871 -0.721 1
1 592 . 19 1 1 A 48 48 ILE CB C 48 39.910 40.590 -0.680 1
1 596 . 19 1 1 A 48 48 ILE N N 48 125.760 128.045 -2.285 1
1 597 . 19 1 1 A 49 49 LYS H H 49 8.710 9.025 -0.315 1
1 598 . 19 1 1 A 49 49 LYS HA H 49 4.550 5.163 -0.613 1
1 607 . 19 1 1 A 49 49 LYS C C 49 176.060 175.104 0.956 1
1 608 . 19 1 1 A 49 49 LYS CA C 49 56.570 54.608 1.962 1
1 609 . 19 1 1 A 49 49 LYS CB C 49 33.010 35.789 -2.779 1
1 613 . 19 1 1 A 49 49 LYS N N 49 126.480 128.057 -1.577 1
1 614 . 19 1 1 A 50 50 THR H H 50 8.150 9.041 -0.891 1
1 615 . 19 1 1 A 50 50 THR HA H 50 4.860 5.092 -0.232 1
1 620 . 19 1 1 A 50 50 THR CA C 50 60.030 59.184 0.846 1
1 621 . 19 1 1 A 50 50 THR CB C 50 72.820 71.894 0.926 1
1 623 . 19 1 1 A 50 50 THR N N 50 116.220 116.818 -0.598 1
1 624 . 19 1 1 A 51 51 ILE HA H 51 4.400 3.925 0.475 1
1 634 . 19 1 1 A 51 51 ILE C C 51 176.140 176.897 -0.757 1
1 635 . 19 1 1 A 51 51 ILE CA C 51 63.450 64.746 -1.296 1
1 636 . 19 1 1 A 51 51 ILE CB C 51 37.970 37.795 0.175 1
1 640 . 19 1 1 A 52 52 HIS H H 52 7.820 8.042 -0.222 1
1 641 . 19 1 1 A 52 52 HIS HA H 52 4.830 4.331 0.499 1
1 644 . 19 1 1 A 52 52 HIS C C 52 175.190 175.212 -0.022 1
1 645 . 19 1 1 A 52 52 HIS CA C 52 55.670 58.887 -3.217 1
1 646 . 19 1 1 A 52 52 HIS CB C 52 31.260 30.507 0.753 1
1 647 . 19 1 1 A 52 52 HIS N N 52 118.280 120.984 -2.704 1
1 648 . 19 1 1 A 53 53 GLY H H 53 7.590 7.628 -0.038 1
1 649 . 19 1 1 A 53 53 GLY HA2 H 53 3.880 3.854 0.026 1
1 650 . 19 1 1 A 53 53 GLY HA3 H 53 4.510 3.855 0.655 1
1 651 . 19 1 1 A 53 53 GLY C C 53 173.360 171.384 1.976 1
1 652 . 19 1 1 A 53 53 GLY CA C 53 44.510 45.821 -1.311 1
1 653 . 19 1 1 A 53 53 GLY N N 53 108.490 105.081 3.409 1
1 654 . 19 1 1 A 54 54 GLU H H 54 8.710 8.599 0.111 1
1 655 . 19 1 1 A 54 54 GLU HA H 54 5.050 4.959 0.091 1
1 660 . 19 1 1 A 54 54 GLU C C 54 175.890 175.473 0.417 1
1 661 . 19 1 1 A 54 54 GLU CA C 54 55.980 55.325 0.655 1
1 662 . 19 1 1 A 54 54 GLU CB C 54 31.610 32.380 -0.770 1
1 664 . 19 1 1 A 54 54 GLU N N 54 121.850 120.757 1.093 1
1 665 . 19 1 1 A 55 55 LYS H H 55 8.930 9.128 -0.198 1
1 666 . 19 1 1 A 55 55 LYS HA H 55 4.670 5.168 -0.498 1
1 675 . 19 1 1 A 55 55 LYS C C 55 174.630 174.691 -0.061 1
1 676 . 19 1 1 A 55 55 LYS CA C 55 54.750 54.659 0.091 1
1 677 . 19 1 1 A 55 55 LYS CB C 55 35.910 35.997 -0.087 1
1 681 . 19 1 1 A 55 55 LYS N N 55 123.380 124.124 -0.744 1
1 682 . 19 1 1 A 56 56 GLN H H 56 8.670 8.941 -0.271 1
1 683 . 19 1 1 A 56 56 GLN HA H 56 4.820 5.148 -0.328 1
1 688 . 19 1 1 A 56 56 GLN C C 56 175.780 174.756 1.024 1
1 689 . 19 1 1 A 56 56 GLN CA C 56 55.500 54.270 1.230 1
1 690 . 19 1 1 A 56 56 GLN CB C 56 29.470 32.194 -2.724 1
1 692 . 19 1 1 A 56 56 GLN N N 56 122.950 122.703 0.247 1
1 693 . 19 1 1 A 57 57 GLN H H 57 9.210 8.726 0.484 1
1 694 . 19 1 1 A 57 57 GLN HA H 57 4.740 4.959 -0.219 1
1 701 . 19 1 1 A 57 57 GLN C C 57 174.100 173.894 0.206 1
1 702 . 19 1 1 A 57 57 GLN CA C 57 54.760 54.480 0.280 1
1 703 . 19 1 1 A 57 57 GLN CB C 57 32.670 32.772 -0.102 1
1 705 . 19 1 1 A 57 57 GLN N N 57 125.030 125.134 -0.104 1
1 707 . 19 1 1 A 58 58 ASP H H 58 8.570 8.866 -0.296 1
1 708 . 19 1 1 A 58 58 ASP HA H 58 4.860 5.288 -0.428 1
1 711 . 19 1 1 A 58 58 ASP C C 58 173.690 175.961 -2.271 1
1 712 . 19 1 1 A 58 58 ASP CA C 58 55.090 53.280 1.810 1
1 713 . 19 1 1 A 58 58 ASP CB C 58 42.120 42.886 -0.766 1
1 714 . 19 1 1 A 58 58 ASP N N 58 124.680 121.421 3.259 1
1 715 . 19 1 1 A 59 59 VAL H H 59 8.480 8.379 0.101 1
1 716 . 19 1 1 A 59 59 VAL HA H 59 4.610 4.417 0.193 1
1 724 . 19 1 1 A 59 59 VAL C C 59 174.600 174.663 -0.063 1
1 725 . 19 1 1 A 59 59 VAL CA C 59 61.130 62.179 -1.049 1
1 726 . 19 1 1 A 59 59 VAL CB C 59 34.250 33.015 1.235 1
1 729 . 19 1 1 A 59 59 VAL N N 59 121.270 124.158 -2.888 1
1 730 . 19 1 1 A 60 60 TYR H H 60 9.390 8.802 0.588 1
1 731 . 19 1 1 A 60 60 TYR HA H 60 4.800 5.034 -0.234 1
1 738 . 19 1 1 A 60 60 TYR C C 60 173.840 174.262 -0.422 1
1 739 . 19 1 1 A 60 60 TYR CA C 60 56.840 56.724 0.116 1
1 740 . 19 1 1 A 60 60 TYR CB C 60 41.190 41.806 -0.616 1
1 745 . 19 1 1 A 60 60 TYR N N 60 125.760 126.213 -0.453 1
1 746 . 19 1 1 A 61 61 TYR H H 61 9.300 9.149 0.151 1
1 747 . 19 1 1 A 61 61 TYR HA H 61 5.370 5.055 0.315 1
1 754 . 19 1 1 A 61 61 TYR C C 61 174.300 174.543 -0.243 1
1 755 . 19 1 1 A 61 61 TYR CA C 61 57.490 57.344 0.146 1
1 756 . 19 1 1 A 61 61 TYR CB C 61 40.900 39.249 1.651 1
1 761 . 19 1 1 A 61 61 TYR N N 61 122.890 126.195 -3.305 1
1 762 . 19 1 1 A 62 62 LEU H H 62 8.770 8.922 -0.152 1
1 763 . 19 1 1 A 62 62 LEU HA H 62 4.780 5.134 -0.354 1
1 773 . 19 1 1 A 62 62 LEU C C 62 174.070 175.965 -1.895 1
1 774 . 19 1 1 A 62 62 LEU CA C 62 53.760 53.359 0.401 1
1 775 . 19 1 1 A 62 62 LEU CB C 62 49.020 45.819 3.201 1
1 779 . 19 1 1 A 62 62 LEU N N 62 129.700 129.050 0.650 1
1 780 . 19 1 1 A 63 63 THR H H 63 7.960 8.824 -0.864 1
1 781 . 19 1 1 A 63 63 THR HA H 63 5.410 5.180 0.230 1
1 786 . 19 1 1 A 63 63 THR C C 63 173.860 174.260 -0.400 1
1 787 . 19 1 1 A 63 63 THR CA C 63 60.850 61.208 -0.358 1
1 788 . 19 1 1 A 63 63 THR CB C 63 69.790 70.639 -0.849 1
1 790 . 19 1 1 A 63 63 THR N N 63 118.460 115.951 2.509 1
1 791 . 19 1 1 A 64 64 PHE H H 64 9.270 8.540 0.730 1
1 792 . 19 1 1 A 64 64 PHE HA H 64 5.100 5.526 -0.426 1
1 800 . 19 1 1 A 64 64 PHE C C 64 172.280 172.489 -0.209 1
1 801 . 19 1 1 A 64 64 PHE CA C 64 56.020 55.567 0.453 1
1 802 . 19 1 1 A 64 64 PHE CB C 64 38.350 41.826 -3.476 1
1 808 . 19 1 1 A 64 64 PHE N N 64 123.960 122.986 0.974 1
1 809 . 19 1 1 A 65 65 LYS H H 65 8.750 8.902 -0.152 1
1 810 . 19 1 1 A 65 65 LYS HA H 65 5.500 5.019 0.481 1
1 819 . 19 1 1 A 65 65 LYS C C 65 176.300 175.798 0.502 1
1 820 . 19 1 1 A 65 65 LYS CA C 65 54.900 55.883 -0.983 1
1 821 . 19 1 1 A 65 65 LYS CB C 65 37.730 33.669 4.061 1
1 825 . 19 1 1 A 65 65 LYS N N 65 117.930 119.640 -1.710 1
1 826 . 19 1 1 A 66 66 VAL H H 66 8.840 9.508 -0.668 1
1 827 . 19 1 1 A 66 66 VAL HA H 66 4.520 4.655 -0.135 1
1 835 . 19 1 1 A 66 66 VAL C C 66 175.550 175.955 -0.405 1
1 836 . 19 1 1 A 66 66 VAL CA C 66 62.130 61.273 0.857 1
1 837 . 19 1 1 A 66 66 VAL CB C 66 35.100 32.135 2.965 1
1 840 . 19 1 1 A 66 66 VAL N N 66 119.330 125.272 -5.942 1
1 841 . 19 1 1 A 67 67 GLN H H 67 9.690 9.394 0.296 1
1 842 . 19 1 1 A 67 67 GLN HA H 67 4.050 4.092 -0.042 1
1 849 . 19 1 1 A 67 67 GLN C C 67 176.300 176.260 0.040 1
1 850 . 19 1 1 A 67 67 GLN CA C 67 56.720 57.180 -0.460 1
1 851 . 19 1 1 A 67 67 GLN CB C 67 28.230 26.831 1.399 1
1 853 . 19 1 1 A 67 67 GLN N N 67 125.930 128.749 -2.819 1
1 855 . 19 1 1 A 68 68 GLY H H 68 8.980 8.735 0.245 1
1 856 . 19 1 1 A 68 68 GLY HA2 H 68 3.510 3.840 -0.330 1
1 857 . 19 1 1 A 68 68 GLY HA3 H 68 4.140 3.850 0.290 1
1 858 . 19 1 1 A 68 68 GLY C C 68 173.410 173.823 -0.413 1
1 859 . 19 1 1 A 68 68 GLY CA C 68 45.460 45.805 -0.345 1
1 860 . 19 1 1 A 68 68 GLY N N 68 103.510 104.630 -1.120 1
1 861 . 19 1 1 A 69 69 ARG H H 69 8.070 7.816 0.254 1
1 862 . 19 1 1 A 69 69 ARG HA H 69 4.400 4.649 -0.249 1
1 869 . 19 1 1 A 69 69 ARG C C 69 174.880 174.631 0.249 1
1 870 . 19 1 1 A 69 69 ARG CA C 69 54.730 54.228 0.502 1
1 871 . 19 1 1 A 69 69 ARG CB C 69 31.520 32.905 -1.385 1
1 874 . 19 1 1 A 69 69 ARG N N 69 122.680 119.790 2.890 1
1 875 . 19 1 1 A 70 70 LYS H H 70 8.390 8.617 -0.227 1
1 876 . 19 1 1 A 70 70 LYS HA H 70 4.220 4.408 -0.188 1
1 885 . 19 1 1 A 70 70 LYS C C 70 175.330 174.886 0.444 1
1 886 . 19 1 1 A 70 70 LYS CA C 70 57.860 56.616 1.244 1
1 887 . 19 1 1 A 70 70 LYS CB C 70 32.790 32.736 0.054 1
1 891 . 19 1 1 A 70 70 LYS N N 70 123.590 126.062 -2.472 1
1 892 . 19 1 1 A 71 71 VAL H H 71 9.050 8.301 0.749 1
1 893 . 19 1 1 A 71 71 VAL HA H 71 4.140 4.623 -0.483 1
1 901 . 19 1 1 A 71 71 VAL C C 71 173.310 174.073 -0.763 1
1 902 . 19 1 1 A 71 71 VAL CA C 71 61.370 60.527 0.843 1
1 903 . 19 1 1 A 71 71 VAL CB C 71 34.610 35.407 -0.797 1
1 906 . 19 1 1 A 71 71 VAL N N 71 128.340 126.963 1.377 1
1 907 . 19 1 1 A 72 72 GLU H H 72 8.150 8.804 -0.654 1
1 908 . 19 1 1 A 72 72 GLU HA H 72 4.970 5.038 -0.068 1
1 913 . 19 1 1 A 72 72 GLU C C 72 174.910 175.389 -0.479 1
1 914 . 19 1 1 A 72 72 GLU CA C 72 54.490 54.795 -0.305 1
1 915 . 19 1 1 A 72 72 GLU CB C 72 31.410 32.826 -1.416 1
1 917 . 19 1 1 A 72 72 GLU N N 72 124.430 125.283 -0.853 1
1 918 . 19 1 1 A 73 73 ALA H H 73 8.420 8.038 0.382 1
1 919 . 19 1 1 A 73 73 ALA HA H 73 4.770 4.762 0.008 1
1 923 . 19 1 1 A 73 73 ALA C C 73 175.140 175.834 -0.694 1
1 924 . 19 1 1 A 73 73 ALA CA C 73 51.050 50.869 0.181 1
1 925 . 19 1 1 A 73 73 ALA CB C 73 23.060 22.980 0.080 1
1 926 . 19 1 1 A 73 73 ALA N N 73 124.790 122.718 2.072 1
1 927 . 19 1 1 A 74 74 GLU H H 74 8.520 8.451 0.069 1
1 928 . 19 1 1 A 74 74 GLU HA H 74 5.260 4.782 0.478 1
1 933 . 19 1 1 A 74 74 GLU C C 74 176.570 175.785 0.785 1
1 934 . 19 1 1 A 74 74 GLU CA C 74 55.770 56.824 -1.054 1
1 935 . 19 1 1 A 74 74 GLU CB C 74 29.840 30.728 -0.888 1
1 937 . 19 1 1 A 74 74 GLU N N 74 120.480 118.767 1.713 1
1 938 . 19 1 1 A 75 75 VAL H H 75 9.240 8.964 0.276 1
1 939 . 19 1 1 A 75 75 VAL HA H 75 5.730 5.145 0.585 1
1 947 . 19 1 1 A 75 75 VAL C C 75 174.700 175.035 -0.335 1
1 948 . 19 1 1 A 75 75 VAL CA C 75 57.950 60.210 -2.260 1
1 949 . 19 1 1 A 75 75 VAL CB C 75 36.540 35.726 0.814 1
1 952 . 19 1 1 A 75 75 VAL N N 75 113.070 121.776 -8.706 1
1 953 . 19 1 1 A 76 76 LEU H H 76 8.420 8.653 -0.233 1
1 954 . 19 1 1 A 76 76 LEU HA H 76 5.110 5.155 -0.045 1
1 964 . 19 1 1 A 76 76 LEU C C 76 176.970 175.614 1.356 1
1 965 . 19 1 1 A 76 76 LEU CA C 76 52.370 53.529 -1.159 1
1 966 . 19 1 1 A 76 76 LEU CB C 76 45.230 45.170 0.060 1
1 970 . 19 1 1 A 76 76 LEU N N 76 117.790 125.579 -7.789 1
1 971 . 19 1 1 A 77 77 ALA H H 77 8.930 8.587 0.343 1
1 972 . 19 1 1 A 77 77 ALA HA H 77 4.500 4.647 -0.147 1
1 976 . 19 1 1 A 77 77 ALA C C 77 177.950 176.770 1.180 1
1 977 . 19 1 1 A 77 77 ALA CA C 77 52.090 52.088 0.002 1
1 978 . 19 1 1 A 77 77 ALA CB C 77 20.280 19.622 0.658 1
1 979 . 19 1 1 A 77 77 ALA N N 77 122.210 127.158 -4.948 1
1 980 . 19 1 1 A 78 78 SER H H 78 8.380 8.621 -0.241 1
1 981 . 19 1 1 A 78 78 SER HA H 78 5.010 4.992 0.018 1
1 984 . 19 1 1 A 78 78 SER CA C 78 54.230 55.588 -1.358 1
1 985 . 19 1 1 A 78 78 SER CB C 78 66.050 66.154 -0.104 1
1 986 . 19 1 1 A 78 78 SER N N 78 117.830 116.274 1.556 1
1 987 . 19 1 1 A 79 79 PRO HA H 79 4.660 4.464 0.196 1
1 994 . 19 1 1 A 79 79 PRO C C 79 176.150 175.921 0.229 1
1 995 . 19 1 1 A 79 79 PRO CA C 79 62.860 63.376 -0.516 1
1 996 . 19 1 1 A 79 79 PRO CB C 79 31.230 31.616 -0.386 1
1 999 . 19 1 1 A 80 80 TYR H H 80 7.380 7.268 0.112 1
1 1000 . 19 1 1 A 80 80 TYR HA H 80 4.710 4.708 0.002 1
1 1007 . 19 1 1 A 80 80 TYR C C 80 175.550 176.014 -0.464 1
1 1008 . 19 1 1 A 80 80 TYR CA C 80 56.150 57.927 -1.777 1
1 1009 . 19 1 1 A 80 80 TYR CB C 80 38.490 39.310 -0.820 1
1 1014 . 19 1 1 A 80 80 TYR N N 80 120.860 120.368 0.492 1
1 1015 . 19 1 1 A 81 81 ASP H H 81 8.290 8.997 -0.707 1
1 1016 . 19 1 1 A 81 81 ASP HA H 81 4.640 4.892 -0.252 1
1 1019 . 19 1 1 A 81 81 ASP C C 81 175.290 175.124 0.166 1
1 1020 . 19 1 1 A 81 81 ASP CA C 81 53.560 53.272 0.288 1
1 1021 . 19 1 1 A 81 81 ASP CB C 81 40.650 41.011 -0.361 1
1 1022 . 19 1 1 A 81 81 ASP N N 81 115.600 119.005 -3.405 1
1 1023 . 19 1 1 A 82 82 TYR H H 82 6.680 7.554 -0.874 1
1 1024 . 19 1 1 A 82 82 TYR HA H 82 5.160 5.156 0.004 1
1 1031 . 19 1 1 A 82 82 TYR C C 82 173.930 173.060 0.870 1
1 1032 . 19 1 1 A 82 82 TYR CA C 82 53.190 55.698 -2.508 1
1 1033 . 19 1 1 A 82 82 TYR CB C 82 40.820 41.526 -0.706 1
1 1038 . 19 1 1 A 82 82 TYR N N 82 116.100 116.171 -0.071 1
1 1039 . 19 1 1 A 83 83 ILE H H 83 8.900 8.674 0.226 1
1 1040 . 19 1 1 A 83 83 ILE HA H 83 4.480 4.567 -0.087 1
1 1050 . 19 1 1 A 83 83 ILE C C 83 175.160 174.917 0.243 1
1 1051 . 19 1 1 A 83 83 ILE CA C 83 60.940 59.379 1.561 1
1 1052 . 19 1 1 A 83 83 ILE CB C 83 40.980 41.028 -0.048 1
1 1056 . 19 1 1 A 83 83 ILE N N 83 119.050 119.426 -0.376 1
1 1057 . 19 1 1 A 84 84 LEU H H 84 8.740 9.684 -0.944 1
1 1058 . 19 1 1 A 84 84 LEU HA H 84 5.140 5.275 -0.135 1
1 1068 . 19 1 1 A 84 84 LEU C C 84 174.920 175.304 -0.384 1
1 1069 . 19 1 1 A 84 84 LEU CA C 84 53.800 53.222 0.578 1
1 1070 . 19 1 1 A 84 84 LEU CB C 84 44.100 43.799 0.301 1
1 1074 . 19 1 1 A 84 84 LEU N N 84 130.660 125.916 4.744 1
1 1075 . 19 1 1 A 85 85 LEU H H 85 9.010 8.938 0.072 1
1 1076 . 19 1 1 A 85 85 LEU HA H 85 4.470 4.724 -0.254 1
1 1086 . 19 1 1 A 85 85 LEU C C 85 174.660 175.909 -1.249 1
1 1087 . 19 1 1 A 85 85 LEU CA C 85 54.080 53.712 0.368 1
1 1088 . 19 1 1 A 85 85 LEU CB C 85 44.350 43.638 0.712 1
1 1092 . 19 1 1 A 85 85 LEU N N 85 125.210 125.097 0.113 1
1 1093 . 19 1 1 A 86 86 ASN H H 86 8.370 8.506 -0.136 1
1 1094 . 19 1 1 A 86 86 ASN HA H 86 4.680 4.855 -0.175 1
1 1099 . 19 1 1 A 86 86 ASN CA C 86 49.780 50.509 -0.729 1
1 1100 . 19 1 1 A 86 86 ASN CB C 86 38.890 40.556 -1.666 1
1 1101 . 19 1 1 A 86 86 ASN N N 86 122.970 122.032 0.938 1
1 1103 . 19 1 1 A 87 87 PRO HA H 87 3.600 4.507 -0.907 1
1 1110 . 19 1 1 A 87 87 PRO C C 87 178.740 177.877 0.863 1
1 1111 . 19 1 1 A 87 87 PRO CA C 87 65.050 64.800 0.250 1
1 1112 . 19 1 1 A 87 87 PRO CB C 87 33.160 32.170 0.990 1
1 1115 . 19 1 1 A 88 88 SER H H 88 7.580 9.217 -1.637 1
1 1116 . 19 1 1 A 88 88 SER HA H 88 4.100 4.329 -0.229 1
1 1119 . 19 1 1 A 88 88 SER C C 88 175.480 176.427 -0.947 1
1 1120 . 19 1 1 A 88 88 SER CA C 88 60.730 60.430 0.300 1
1 1121 . 19 1 1 A 88 88 SER CB C 88 62.870 63.072 -0.202 1
1 1122 . 19 1 1 A 88 88 SER N N 88 109.530 112.390 -2.860 1
1 1123 . 19 1 1 A 89 89 ASP H H 89 8.170 8.026 0.144 1
1 1124 . 19 1 1 A 89 89 ASP HA H 89 4.770 4.615 0.155 1
1 1127 . 19 1 1 A 89 89 ASP C C 89 175.730 177.015 -1.285 1
1 1128 . 19 1 1 A 89 89 ASP CA C 89 56.030 56.718 -0.688 1
1 1129 . 19 1 1 A 89 89 ASP CB C 89 41.380 41.504 -0.124 1
1 1130 . 19 1 1 A 89 89 ASP N N 89 118.600 119.818 -1.218 1
1 1131 . 19 1 1 A 90 90 VAL H H 90 7.050 7.366 -0.316 1
1 1132 . 19 1 1 A 90 90 VAL HA H 90 4.050 2.978 1.072 1
1 1140 . 19 1 1 A 90 90 VAL CA C 90 56.960 58.386 -1.426 1
1 1141 . 19 1 1 A 90 90 VAL CB C 90 31.710 31.078 0.632 1
1 1144 . 19 1 1 A 90 90 VAL N N 90 109.580 112.631 -3.051 1
1 1145 . 19 1 1 A 91 91 PRO HA H 91 4.250 4.407 -0.157 1
1 1152 . 19 1 1 A 91 91 PRO C C 91 176.870 177.672 -0.802 1
1 1153 . 19 1 1 A 91 91 PRO CA C 91 65.190 64.402 0.788 1
1 1154 . 19 1 1 A 91 91 PRO CB C 91 31.470 31.844 -0.374 1
1 1157 . 19 1 1 A 92 92 TRP H H 92 6.720 7.880 -1.160 1
1 1158 . 19 1 1 A 92 92 TRP HA H 92 4.570 4.456 0.114 1
1 1167 . 19 1 1 A 92 92 TRP C C 92 176.630 178.843 -2.213 1
1 1168 . 19 1 1 A 92 92 TRP CA C 92 56.910 59.675 -2.765 1
1 1169 . 19 1 1 A 92 92 TRP CB C 92 27.990 28.157 -0.167 1
1 1175 . 19 1 1 A 92 92 TRP N N 92 115.110 118.121 -3.011 1
1 1177 . 19 1 1 A 93 93 LEU H H 93 7.150 7.394 -0.244 1
1 1178 . 19 1 1 A 93 93 LEU HA H 93 4.220 3.862 0.358 1
1 1188 . 19 1 1 A 93 93 LEU C C 93 176.210 179.228 -3.018 1
1 1189 . 19 1 1 A 93 93 LEU CA C 93 55.350 57.259 -1.909 1
1 1190 . 19 1 1 A 93 93 LEU CB C 93 42.190 41.025 1.165 1
1 1194 . 19 1 1 A 93 93 LEU N N 93 123.090 122.236 0.854 1
1 1195 . 19 1 1 A 94 94 MET H H 94 7.730 7.920 -0.190 1
1 1196 . 19 1 1 A 94 94 MET HA H 94 4.340 3.798 0.542 1
1 1201 . 19 1 1 A 94 94 MET C C 94 175.550 176.228 -0.678 1
1 1202 . 19 1 1 A 94 94 MET CA C 94 55.120 58.497 -3.377 1
1 1203 . 19 1 1 A 94 94 MET CB C 94 32.630 32.261 0.369 1
1 1205 . 19 1 1 A 94 94 MET N N 94 118.250 117.759 0.491 1
1 1206 . 19 1 1 A 95 95 LYS H H 95 7.950 7.648 0.302 1
1 1207 . 19 1 1 A 95 95 LYS HA H 95 4.260 4.955 -0.695 1
1 1210 . 19 1 1 A 95 95 LYS C C 95 176.130 174.905 1.225 1
1 1211 . 19 1 1 A 95 95 LYS CA C 95 56.150 54.685 1.465 1
1 1212 . 19 1 1 A 95 95 LYS CB C 95 33.010 35.425 -2.415 1
1 1213 . 19 1 1 A 95 95 LYS N N 95 121.650 114.616 7.034 1
1 1214 . 19 1 1 A 96 96 LYS H H 96 8.260 8.932 -0.672 1
1 1215 . 19 1 1 A 96 96 LYS N N 96 123.570 119.835 3.735 1
1 1216 . 19 1 1 A 97 97 PRO HA H 97 4.530 4.345 0.185 1
1 1219 . 19 1 1 A 97 97 PRO C C 97 176.830 177.221 -0.391 1
1 1220 . 19 1 1 A 97 97 PRO CA C 97 63.180 63.208 -0.028 1
1 1221 . 19 1 1 A 97 97 PRO CB C 97 32.050 32.288 -0.238 1
1 88 . 20 1 1 A 9 9 PRO HA H 9 4.410 4.439 -0.029 1
1 95 . 20 1 1 A 9 9 PRO C C 9 176.460 176.051 0.409 1
1 96 . 20 1 1 A 9 9 PRO CA C 9 63.030 62.257 0.773 1
1 97 . 20 1 1 A 9 9 PRO CB C 9 32.210 32.273 -0.063 1
1 100 . 20 1 1 A 10 10 LEU H H 10 9.190 9.260 -0.070 1
1 101 . 20 1 1 A 10 10 LEU HA H 10 4.640 4.731 -0.091 1
1 111 . 20 1 1 A 10 10 LEU C C 10 176.620 176.841 -0.221 1
1 112 . 20 1 1 A 10 10 LEU CA C 10 53.420 53.894 -0.474 1
1 113 . 20 1 1 A 10 10 LEU CB C 10 44.290 43.654 0.636 1
1 117 . 20 1 1 A 10 10 LEU N N 10 123.060 121.814 1.246 1
1 118 . 20 1 1 A 11 11 GLU H H 11 8.720 8.640 0.080 1
1 119 . 20 1 1 A 11 11 GLU HA H 11 4.490 4.774 -0.284 1
1 124 . 20 1 1 A 11 11 GLU C C 11 176.620 176.024 0.596 1
1 125 . 20 1 1 A 11 11 GLU CA C 11 57.060 56.169 0.891 1
1 126 . 20 1 1 A 11 11 GLU CB C 11 30.820 30.498 0.322 1
1 128 . 20 1 1 A 11 11 GLU N N 11 121.330 122.870 -1.540 1
1 129 . 20 1 1 A 12 12 ALA H H 12 8.760 8.615 0.145 1
1 130 . 20 1 1 A 12 12 ALA HA H 12 5.390 5.577 -0.187 1
1 134 . 20 1 1 A 12 12 ALA C C 12 176.040 174.782 1.258 1
1 135 . 20 1 1 A 12 12 ALA CA C 12 50.350 50.878 -0.528 1
1 136 . 20 1 1 A 12 12 ALA CB C 12 24.490 23.610 0.880 1
1 137 . 20 1 1 A 12 12 ALA N N 12 127.010 124.500 2.510 1
1 138 . 20 1 1 A 13 13 GLU H H 13 8.850 9.294 -0.444 1
1 139 . 20 1 1 A 13 13 GLU HA H 13 5.240 5.477 -0.237 1
1 144 . 20 1 1 A 13 13 GLU C C 13 175.320 175.167 0.153 1
1 145 . 20 1 1 A 13 13 GLU CA C 13 55.580 54.915 0.665 1
1 146 . 20 1 1 A 13 13 GLU CB C 13 34.410 32.955 1.455 1
1 148 . 20 1 1 A 13 13 GLU N N 13 119.980 121.517 -1.537 1
1 149 . 20 1 1 A 14 14 ILE H H 14 8.420 9.306 -0.886 1
1 150 . 20 1 1 A 14 14 ILE HA H 14 4.210 4.587 -0.377 1
1 160 . 20 1 1 A 14 14 ILE C C 14 174.520 175.944 -1.424 1
1 161 . 20 1 1 A 14 14 ILE CA C 14 61.000 59.912 1.088 1
1 162 . 20 1 1 A 14 14 ILE CB C 14 40.430 39.138 1.292 1
1 166 . 20 1 1 A 14 14 ILE N N 14 123.990 127.330 -3.340 1
1 167 . 20 1 1 A 15 15 LYS H H 15 9.590 9.633 -0.043 1
1 168 . 20 1 1 A 15 15 LYS HA H 15 3.880 4.047 -0.167 1
1 177 . 20 1 1 A 15 15 LYS C C 15 176.880 176.724 0.156 1
1 178 . 20 1 1 A 15 15 LYS CA C 15 57.890 57.495 0.395 1
1 179 . 20 1 1 A 15 15 LYS CB C 15 30.550 30.301 0.249 1
1 183 . 20 1 1 A 15 15 LYS N N 15 124.930 128.969 -4.039 1
1 184 . 20 1 1 A 16 16 GLY H H 16 8.730 8.563 0.167 1
1 185 . 20 1 1 A 16 16 GLY HA2 H 16 3.670 3.844 -0.174 1
1 186 . 20 1 1 A 16 16 GLY HA3 H 16 4.230 3.849 0.381 1
1 187 . 20 1 1 A 16 16 GLY C C 16 174.360 173.804 0.556 1
1 188 . 20 1 1 A 16 16 GLY CA C 16 45.540 45.427 0.113 1
1 189 . 20 1 1 A 16 16 GLY N N 16 104.580 105.689 -1.109 1
1 190 . 20 1 1 A 17 17 THR H H 17 8.400 8.517 -0.117 1
1 191 . 20 1 1 A 17 17 THR HA H 17 4.490 4.480 0.010 1
1 196 . 20 1 1 A 17 17 THR C C 17 172.970 173.454 -0.484 1
1 197 . 20 1 1 A 17 17 THR CA C 17 62.580 62.482 0.098 1
1 198 . 20 1 1 A 17 17 THR CB C 17 70.320 70.162 0.158 1
1 200 . 20 1 1 A 17 17 THR N N 17 120.070 117.344 2.726 1
1 201 . 20 1 1 A 18 18 LYS H H 18 8.750 8.753 -0.003 1
1 202 . 20 1 1 A 18 18 LYS HA H 18 4.920 4.831 0.089 1
1 211 . 20 1 1 A 18 18 LYS C C 18 175.860 175.244 0.616 1
1 212 . 20 1 1 A 18 18 LYS CA C 18 56.350 56.225 0.125 1
1 213 . 20 1 1 A 18 18 LYS CB C 18 32.940 33.258 -0.318 1
1 217 . 20 1 1 A 18 18 LYS N N 18 127.270 128.047 -0.777 1
1 218 . 20 1 1 A 19 19 LEU H H 19 8.750 8.995 -0.245 1
1 219 . 20 1 1 A 19 19 LEU HA H 19 4.850 4.944 -0.094 1
1 229 . 20 1 1 A 19 19 LEU C C 19 174.210 175.514 -1.304 1
1 230 . 20 1 1 A 19 19 LEU CA C 19 55.160 53.014 2.146 1
1 231 . 20 1 1 A 19 19 LEU CB C 19 43.340 46.087 -2.747 1
1 235 . 20 1 1 A 19 19 LEU N N 19 123.470 127.523 -4.053 1
1 236 . 20 1 1 A 20 20 LYS H H 20 8.660 8.451 0.209 1
1 237 . 20 1 1 A 20 20 LYS HA H 20 5.180 4.820 0.360 1
1 246 . 20 1 1 A 20 20 LYS C C 20 175.650 175.765 -0.115 1
1 247 . 20 1 1 A 20 20 LYS CA C 20 54.630 55.604 -0.974 1
1 248 . 20 1 1 A 20 20 LYS CB C 20 34.710 34.024 0.686 1
1 252 . 20 1 1 A 20 20 LYS N N 20 118.320 121.415 -3.095 1
1 253 . 20 1 1 A 21 21 ALA H H 21 8.860 8.674 0.186 1
1 254 . 20 1 1 A 21 21 ALA HA H 21 5.470 5.426 0.044 1
1 258 . 20 1 1 A 21 21 ALA C C 21 174.740 175.701 -0.961 1
1 259 . 20 1 1 A 21 21 ALA CA C 21 49.510 50.322 -0.812 1
1 260 . 20 1 1 A 21 21 ALA CB C 21 22.990 24.220 -1.230 1
1 261 . 20 1 1 A 21 21 ALA N N 21 120.460 123.338 -2.878 1
1 262 . 20 1 1 A 22 22 HIS H H 22 9.140 8.899 0.241 1
1 263 . 20 1 1 A 22 22 HIS HA H 22 5.070 5.174 -0.104 1
1 268 . 20 1 1 A 22 22 HIS C C 22 174.310 174.026 0.284 1
1 269 . 20 1 1 A 22 22 HIS CA C 22 54.040 53.999 0.041 1
1 270 . 20 1 1 A 22 22 HIS CB C 22 32.390 33.140 -0.750 1
1 272 . 20 1 1 A 22 22 HIS N N 22 119.890 115.909 3.981 1
1 273 . 20 1 1 A 23 23 TRP H H 23 9.160 9.079 0.081 1
1 274 . 20 1 1 A 23 23 TRP HA H 23 4.360 4.778 -0.418 1
1 283 . 20 1 1 A 23 23 TRP C C 23 175.070 175.150 -0.080 1
1 284 . 20 1 1 A 23 23 TRP CA C 23 59.160 57.622 1.538 1
1 285 . 20 1 1 A 23 23 TRP CB C 23 30.710 30.049 0.661 1
1 291 . 20 1 1 A 23 23 TRP N N 23 126.610 126.753 -0.143 1
1 293 . 20 1 1 A 24 24 ASP H H 24 7.720 8.215 -0.495 1
1 294 . 20 1 1 A 24 24 ASP HA H 24 4.880 4.818 0.062 1
1 297 . 20 1 1 A 24 24 ASP C C 24 175.340 175.487 -0.147 1
1 298 . 20 1 1 A 24 24 ASP CA C 24 53.030 52.663 0.367 1
1 299 . 20 1 1 A 24 24 ASP CB C 24 43.510 42.381 1.129 1
1 300 . 20 1 1 A 24 24 ASP N N 24 126.750 128.189 -1.439 1
1 301 . 20 1 1 A 25 25 SER H H 25 8.490 8.543 -0.053 1
1 302 . 20 1 1 A 25 25 SER HA H 25 3.580 3.550 0.030 1
1 305 . 20 1 1 A 25 25 SER C C 25 175.340 176.355 -1.015 1
1 306 . 20 1 1 A 25 25 SER CA C 25 60.640 60.903 -0.263 1
1 307 . 20 1 1 A 25 25 SER CB C 25 62.990 62.487 0.503 1
1 308 . 20 1 1 A 25 25 SER N N 25 119.220 119.318 -0.098 1
1 309 . 20 1 1 A 26 26 GLY H H 26 8.670 7.776 0.894 1
1 310 . 20 1 1 A 26 26 GLY HA2 H 26 3.630 3.917 -0.287 1
1 311 . 20 1 1 A 26 26 GLY HA3 H 26 4.200 3.919 0.281 1
1 312 . 20 1 1 A 26 26 GLY C C 26 174.190 174.345 -0.155 1
1 313 . 20 1 1 A 26 26 GLY CA C 26 44.760 46.063 -1.303 1
1 314 . 20 1 1 A 26 26 GLY N N 26 109.290 109.004 0.286 1
1 315 . 20 1 1 A 27 27 ALA H H 27 7.550 7.331 0.219 1
1 316 . 20 1 1 A 27 27 ALA HA H 27 4.370 4.302 0.068 1
1 320 . 20 1 1 A 27 27 ALA C C 27 178.430 176.828 1.602 1
1 321 . 20 1 1 A 27 27 ALA CA C 27 52.240 51.433 0.807 1
1 322 . 20 1 1 A 27 27 ALA CB C 27 18.240 19.551 -1.311 1
1 323 . 20 1 1 A 27 27 ALA N N 27 124.840 123.927 0.913 1
1 324 . 20 1 1 A 28 28 THR H H 28 8.260 9.008 -0.748 1
1 325 . 20 1 1 A 28 28 THR HA H 28 4.230 4.396 -0.166 1
1 330 . 20 1 1 A 28 28 THR C C 28 173.830 174.589 -0.759 1
1 331 . 20 1 1 A 28 28 THR CA C 28 62.180 63.429 -1.249 1
1 332 . 20 1 1 A 28 28 THR CB C 28 69.240 69.566 -0.326 1
1 333 . 20 1 1 A 28 28 THR N N 28 112.480 117.284 -4.804 1
1 334 . 20 1 1 A 29 29 ILE H H 29 7.460 7.755 -0.295 1
1 335 . 20 1 1 A 29 29 ILE HA H 29 4.540 4.722 -0.182 1
1 345 . 20 1 1 A 29 29 ILE C C 29 173.440 174.636 -1.196 1
1 346 . 20 1 1 A 29 29 ILE CA C 29 60.540 59.495 1.045 1
1 347 . 20 1 1 A 29 29 ILE CB C 29 40.780 42.039 -1.259 1
1 351 . 20 1 1 A 29 29 ILE N N 29 118.820 120.426 -1.606 1
1 352 . 20 1 1 A 30 30 THR H H 30 9.380 8.677 0.703 1
1 353 . 20 1 1 A 30 30 THR HA H 30 4.870 4.321 0.549 1
1 358 . 20 1 1 A 30 30 THR C C 30 173.600 173.786 -0.186 1
1 359 . 20 1 1 A 30 30 THR CA C 30 64.280 63.590 0.690 1
1 360 . 20 1 1 A 30 30 THR CB C 30 69.840 69.406 0.434 1
1 361 . 20 1 1 A 30 30 THR N N 30 129.290 121.739 7.551 1
1 362 . 20 1 1 A 31 31 CYS H H 31 9.180 8.459 0.721 1
1 363 . 20 1 1 A 31 31 CYS HA H 31 5.530 5.159 0.371 1
1 366 . 20 1 1 A 31 31 CYS C C 31 174.420 173.084 1.336 1
1 367 . 20 1 1 A 31 31 CYS CA C 31 56.540 57.114 -0.574 1
1 368 . 20 1 1 A 31 31 CYS CB C 31 30.780 30.627 0.153 1
1 369 . 20 1 1 A 31 31 CYS N N 31 122.220 126.795 -4.575 1
1 370 . 20 1 1 A 32 32 VAL H H 32 9.090 8.783 0.307 1
1 371 . 20 1 1 A 32 32 VAL HA H 32 4.710 4.787 -0.077 1
1 379 . 20 1 1 A 32 32 VAL CA C 32 57.300 57.978 -0.678 1
1 380 . 20 1 1 A 32 32 VAL CB C 32 32.860 34.521 -1.661 1
1 383 . 20 1 1 A 32 32 VAL N N 32 117.890 119.893 -2.003 1
1 384 . 20 1 1 A 33 33 PRO HA H 33 4.530 5.258 -0.728 1
1 391 . 20 1 1 A 33 33 PRO C C 33 178.110 177.823 0.287 1
1 392 . 20 1 1 A 33 33 PRO CA C 33 64.140 62.552 1.588 1
1 393 . 20 1 1 A 33 33 PRO CB C 33 32.200 32.139 0.061 1
1 396 . 20 1 1 A 34 34 GLU H H 34 8.380 8.339 0.041 1
1 397 . 20 1 1 A 34 34 GLU HA H 34 3.730 3.953 -0.223 1
1 402 . 20 1 1 A 34 34 GLU C C 34 177.830 178.238 -0.408 1
1 403 . 20 1 1 A 34 34 GLU CA C 34 59.480 59.051 0.429 1
1 404 . 20 1 1 A 34 34 GLU CB C 34 29.860 28.862 0.998 1
1 406 . 20 1 1 A 34 34 GLU N N 34 122.200 123.686 -1.486 1
1 407 . 20 1 1 A 35 35 ALA H H 35 9.050 8.106 0.944 1
1 408 . 20 1 1 A 35 35 ALA HA H 35 4.030 4.015 0.015 1
1 412 . 20 1 1 A 35 35 ALA C C 35 180.250 179.030 1.220 1
1 413 . 20 1 1 A 35 35 ALA CA C 35 54.850 54.813 0.037 1
1 414 . 20 1 1 A 35 35 ALA CB C 35 18.160 18.442 -0.282 1
1 415 . 20 1 1 A 35 35 ALA N N 35 123.090 122.820 0.270 1
1 416 . 20 1 1 A 36 36 PHE H H 36 7.510 8.164 -0.654 1
1 417 . 20 1 1 A 36 36 PHE HA H 36 4.370 4.358 0.012 1
1 425 . 20 1 1 A 36 36 PHE C C 36 174.870 176.945 -2.075 1
1 426 . 20 1 1 A 36 36 PHE CA C 36 60.160 59.743 0.417 1
1 427 . 20 1 1 A 36 36 PHE CB C 36 38.930 39.044 -0.114 1
1 433 . 20 1 1 A 36 36 PHE N N 36 112.030 115.099 -3.069 1
1 434 . 20 1 1 A 37 37 LEU H H 37 7.640 8.280 -0.640 1
1 435 . 20 1 1 A 37 37 LEU HA H 37 4.230 4.483 -0.253 1
1 445 . 20 1 1 A 37 37 LEU C C 37 177.380 176.945 0.435 1
1 446 . 20 1 1 A 37 37 LEU CA C 37 53.080 54.465 -1.385 1
1 447 . 20 1 1 A 37 37 LEU CB C 37 41.050 41.380 -0.330 1
1 451 . 20 1 1 A 37 37 LEU N N 37 116.800 119.407 -2.607 1
1 452 . 20 1 1 A 38 38 GLU H H 38 7.050 8.024 -0.974 1
1 453 . 20 1 1 A 38 38 GLU HA H 38 3.980 3.868 0.112 1
1 458 . 20 1 1 A 38 38 GLU C C 38 176.630 177.778 -1.148 1
1 459 . 20 1 1 A 38 38 GLU CA C 38 59.250 60.159 -0.909 1
1 460 . 20 1 1 A 38 38 GLU CB C 38 29.870 29.292 0.578 1
1 462 . 20 1 1 A 38 38 GLU N N 38 121.260 121.888 -0.628 1
1 463 . 20 1 1 A 39 39 ASP H H 39 8.690 7.800 0.890 1
1 464 . 20 1 1 A 39 39 ASP HA H 39 4.700 4.874 -0.174 1
1 467 . 20 1 1 A 39 39 ASP C C 39 175.570 175.404 0.166 1
1 468 . 20 1 1 A 39 39 ASP CA C 39 53.760 53.884 -0.124 1
1 469 . 20 1 1 A 39 39 ASP CB C 39 40.010 41.200 -1.190 1
1 470 . 20 1 1 A 39 39 ASP N N 39 115.590 116.899 -1.309 1
1 471 . 20 1 1 A 40 40 GLU H H 40 7.460 8.101 -0.641 1
1 472 . 20 1 1 A 40 40 GLU HA H 40 4.720 4.404 0.316 1
1 477 . 20 1 1 A 40 40 GLU C C 40 175.660 176.398 -0.738 1
1 478 . 20 1 1 A 40 40 GLU CA C 40 54.240 56.932 -2.692 1
1 479 . 20 1 1 A 40 40 GLU CB C 40 31.240 29.962 1.278 1
1 481 . 20 1 1 A 40 40 GLU N N 40 118.210 119.416 -1.206 1
1 482 . 20 1 1 A 41 41 ARG H H 41 9.130 8.888 0.242 1
1 483 . 20 1 1 A 41 41 ARG HA H 41 5.080 5.074 0.006 1
1 490 . 20 1 1 A 41 41 ARG CA C 41 52.540 53.068 -0.528 1
1 491 . 20 1 1 A 41 41 ARG CB C 41 31.240 31.569 -0.329 1
1 494 . 20 1 1 A 41 41 ARG N N 41 121.830 124.920 -3.090 1
1 495 . 20 1 1 A 42 42 PRO HA H 42 3.840 4.406 -0.566 1
1 502 . 20 1 1 A 42 42 PRO C C 42 177.180 177.215 -0.035 1
1 503 . 20 1 1 A 42 42 PRO CA C 42 63.010 62.338 0.672 1
1 504 . 20 1 1 A 42 42 PRO CB C 42 32.490 31.214 1.276 1
1 507 . 20 1 1 A 43 43 ILE H H 43 9.110 7.880 1.230 1
1 508 . 20 1 1 A 43 43 ILE HA H 43 4.410 4.038 0.372 1
1 518 . 20 1 1 A 43 43 ILE C C 43 176.220 175.967 0.253 1
1 519 . 20 1 1 A 43 43 ILE CA C 43 61.480 62.407 -0.927 1
1 520 . 20 1 1 A 43 43 ILE CB C 43 39.510 38.242 1.268 1
1 524 . 20 1 1 A 43 43 ILE N N 43 115.610 119.818 -4.208 1
1 525 . 20 1 1 A 44 44 GLN H H 44 7.750 7.589 0.161 1
1 526 . 20 1 1 A 44 44 GLN HA H 44 4.610 4.792 -0.182 1
1 533 . 20 1 1 A 44 44 GLN C C 44 173.610 173.912 -0.302 1
1 534 . 20 1 1 A 44 44 GLN CA C 44 55.140 54.175 0.965 1
1 535 . 20 1 1 A 44 44 GLN CB C 44 31.460 33.843 -2.383 1
1 537 . 20 1 1 A 44 44 GLN N N 44 118.360 119.625 -1.265 1
1 539 . 20 1 1 A 45 45 THR H H 45 8.560 8.720 -0.160 1
1 540 . 20 1 1 A 45 45 THR HA H 45 5.140 5.043 0.097 1
1 545 . 20 1 1 A 45 45 THR C C 45 177.830 173.396 4.434 1
1 546 . 20 1 1 A 45 45 THR CA C 45 61.450 60.000 1.450 1
1 547 . 20 1 1 A 45 45 THR CB C 45 71.380 71.719 -0.339 1
1 549 . 20 1 1 A 45 45 THR N N 45 115.470 112.689 2.781 1
1 550 . 20 1 1 A 46 46 MET H H 46 9.100 9.117 -0.017 1
1 551 . 20 1 1 A 46 46 MET HA H 46 4.730 5.165 -0.435 1
1 556 . 20 1 1 A 46 46 MET C C 46 173.520 174.374 -0.854 1
1 557 . 20 1 1 A 46 46 MET CA C 46 54.560 54.316 0.244 1
1 558 . 20 1 1 A 46 46 MET CB C 46 36.500 37.136 -0.636 1
1 560 . 20 1 1 A 46 46 MET N N 46 123.160 121.488 1.672 1
1 561 . 20 1 1 A 47 47 LEU H H 47 8.490 8.858 -0.368 1
1 562 . 20 1 1 A 47 47 LEU HA H 47 4.730 5.170 -0.440 1
1 572 . 20 1 1 A 47 47 LEU C C 47 176.210 175.958 0.252 1
1 573 . 20 1 1 A 47 47 LEU CA C 47 54.440 53.537 0.903 1
1 574 . 20 1 1 A 47 47 LEU CB C 47 42.540 42.845 -0.305 1
1 578 . 20 1 1 A 47 47 LEU N N 47 124.300 122.552 1.748 1
1 579 . 20 1 1 A 48 48 ILE H H 48 8.990 9.456 -0.466 1
1 580 . 20 1 1 A 48 48 ILE HA H 48 4.430 4.725 -0.295 1
1 590 . 20 1 1 A 48 48 ILE C C 48 175.040 174.520 0.520 1
1 591 . 20 1 1 A 48 48 ILE CA C 48 59.150 60.186 -1.036 1
1 592 . 20 1 1 A 48 48 ILE CB C 48 39.910 40.261 -0.351 1
1 596 . 20 1 1 A 48 48 ILE N N 48 125.760 125.008 0.752 1
1 597 . 20 1 1 A 49 49 LYS H H 49 8.710 8.943 -0.233 1
1 598 . 20 1 1 A 49 49 LYS HA H 49 4.550 5.009 -0.459 1
1 607 . 20 1 1 A 49 49 LYS C C 49 176.060 175.678 0.382 1
1 608 . 20 1 1 A 49 49 LYS CA C 49 56.570 55.145 1.425 1
1 609 . 20 1 1 A 49 49 LYS CB C 49 33.010 35.044 -2.034 1
1 613 . 20 1 1 A 49 49 LYS N N 49 126.480 127.003 -0.523 1
1 614 . 20 1 1 A 50 50 THR H H 50 8.150 9.333 -1.183 1
1 615 . 20 1 1 A 50 50 THR HA H 50 4.860 4.786 0.074 1
1 620 . 20 1 1 A 50 50 THR CA C 50 60.030 61.624 -1.594 1
1 621 . 20 1 1 A 50 50 THR CB C 50 72.820 71.485 1.335 1
1 623 . 20 1 1 A 50 50 THR N N 50 116.220 118.058 -1.838 1
1 624 . 20 1 1 A 51 51 ILE HA H 51 4.400 3.858 0.542 1
1 634 . 20 1 1 A 51 51 ILE C C 51 176.140 176.895 -0.755 1
1 635 . 20 1 1 A 51 51 ILE CA C 51 63.450 64.745 -1.295 1
1 636 . 20 1 1 A 51 51 ILE CB C 51 37.970 37.894 0.076 1
1 640 . 20 1 1 A 52 52 HIS H H 52 7.820 7.853 -0.033 1
1 641 . 20 1 1 A 52 52 HIS HA H 52 4.830 4.287 0.543 1
1 644 . 20 1 1 A 52 52 HIS C C 52 175.190 175.323 -0.133 1
1 645 . 20 1 1 A 52 52 HIS CA C 52 55.670 58.904 -3.234 1
1 646 . 20 1 1 A 52 52 HIS CB C 52 31.260 30.653 0.607 1
1 647 . 20 1 1 A 52 52 HIS N N 52 118.280 121.363 -3.083 1
1 648 . 20 1 1 A 53 53 GLY H H 53 7.590 7.497 0.093 1
1 649 . 20 1 1 A 53 53 GLY HA2 H 53 3.880 3.925 -0.045 1
1 650 . 20 1 1 A 53 53 GLY HA3 H 53 4.510 3.944 0.566 1
1 651 . 20 1 1 A 53 53 GLY C C 53 173.360 171.424 1.936 1
1 652 . 20 1 1 A 53 53 GLY CA C 53 44.510 45.735 -1.225 1
1 653 . 20 1 1 A 53 53 GLY N N 53 108.490 105.865 2.625 1
1 654 . 20 1 1 A 54 54 GLU H H 54 8.710 8.463 0.247 1
1 655 . 20 1 1 A 54 54 GLU HA H 54 5.050 4.814 0.236 1
1 660 . 20 1 1 A 54 54 GLU C C 54 175.890 174.775 1.115 1
1 661 . 20 1 1 A 54 54 GLU CA C 54 55.980 55.669 0.311 1
1 662 . 20 1 1 A 54 54 GLU CB C 54 31.610 31.241 0.369 1
1 664 . 20 1 1 A 54 54 GLU N N 54 121.850 120.312 1.538 1
1 665 . 20 1 1 A 55 55 LYS H H 55 8.930 9.545 -0.615 1
1 666 . 20 1 1 A 55 55 LYS HA H 55 4.670 5.090 -0.420 1
1 675 . 20 1 1 A 55 55 LYS C C 55 174.630 174.118 0.512 1
1 676 . 20 1 1 A 55 55 LYS CA C 55 54.750 54.460 0.290 1
1 677 . 20 1 1 A 55 55 LYS CB C 55 35.910 35.990 -0.080 1
1 681 . 20 1 1 A 55 55 LYS N N 55 123.380 124.604 -1.224 1
1 682 . 20 1 1 A 56 56 GLN H H 56 8.670 8.902 -0.232 1
1 683 . 20 1 1 A 56 56 GLN HA H 56 4.820 5.040 -0.220 1
1 688 . 20 1 1 A 56 56 GLN C C 56 175.780 174.744 1.036 1
1 689 . 20 1 1 A 56 56 GLN CA C 56 55.500 54.267 1.233 1
1 690 . 20 1 1 A 56 56 GLN CB C 56 29.470 31.610 -2.140 1
1 692 . 20 1 1 A 56 56 GLN N N 56 122.950 127.224 -4.274 1
1 693 . 20 1 1 A 57 57 GLN H H 57 9.210 8.657 0.553 1
1 694 . 20 1 1 A 57 57 GLN HA H 57 4.740 4.978 -0.238 1
1 701 . 20 1 1 A 57 57 GLN C C 57 174.100 174.446 -0.346 1
1 702 . 20 1 1 A 57 57 GLN CA C 57 54.760 54.306 0.454 1
1 703 . 20 1 1 A 57 57 GLN CB C 57 32.670 32.046 0.624 1
1 705 . 20 1 1 A 57 57 GLN N N 57 125.030 125.401 -0.371 1
1 707 . 20 1 1 A 58 58 ASP H H 58 8.570 9.019 -0.449 1
1 708 . 20 1 1 A 58 58 ASP HA H 58 4.860 5.325 -0.465 1
1 711 . 20 1 1 A 58 58 ASP C C 58 173.690 175.354 -1.664 1
1 712 . 20 1 1 A 58 58 ASP CA C 58 55.090 53.175 1.915 1
1 713 . 20 1 1 A 58 58 ASP CB C 58 42.120 42.933 -0.813 1
1 714 . 20 1 1 A 58 58 ASP N N 58 124.680 123.458 1.222 1
1 715 . 20 1 1 A 59 59 VAL H H 59 8.480 8.435 0.045 1
1 716 . 20 1 1 A 59 59 VAL HA H 59 4.610 4.708 -0.098 1
1 724 . 20 1 1 A 59 59 VAL C C 59 174.600 173.931 0.669 1
1 725 . 20 1 1 A 59 59 VAL CA C 59 61.130 60.512 0.618 1
1 726 . 20 1 1 A 59 59 VAL CB C 59 34.250 33.694 0.556 1
1 729 . 20 1 1 A 59 59 VAL N N 59 121.270 121.946 -0.676 1
1 730 . 20 1 1 A 60 60 TYR H H 60 9.390 9.187 0.203 1
1 731 . 20 1 1 A 60 60 TYR HA H 60 4.800 5.095 -0.295 1
1 738 . 20 1 1 A 60 60 TYR C C 60 173.840 174.157 -0.317 1
1 739 . 20 1 1 A 60 60 TYR CA C 60 56.840 56.608 0.232 1
1 740 . 20 1 1 A 60 60 TYR CB C 60 41.190 42.227 -1.037 1
1 745 . 20 1 1 A 60 60 TYR N N 60 125.760 126.906 -1.146 1
1 746 . 20 1 1 A 61 61 TYR H H 61 9.300 9.046 0.254 1
1 747 . 20 1 1 A 61 61 TYR HA H 61 5.370 5.552 -0.182 1
1 754 . 20 1 1 A 61 61 TYR C C 61 174.300 174.137 0.163 1
1 755 . 20 1 1 A 61 61 TYR CA C 61 57.490 56.697 0.793 1
1 756 . 20 1 1 A 61 61 TYR CB C 61 40.900 40.762 0.138 1
1 761 . 20 1 1 A 61 61 TYR N N 61 122.890 124.060 -1.170 1
1 762 . 20 1 1 A 62 62 LEU H H 62 8.770 8.894 -0.124 1
1 763 . 20 1 1 A 62 62 LEU HA H 62 4.780 5.180 -0.400 1
1 773 . 20 1 1 A 62 62 LEU C C 62 174.070 175.983 -1.913 1
1 774 . 20 1 1 A 62 62 LEU CA C 62 53.760 53.398 0.362 1
1 775 . 20 1 1 A 62 62 LEU CB C 62 49.020 45.717 3.303 1
1 779 . 20 1 1 A 62 62 LEU N N 62 129.700 129.155 0.545 1
1 780 . 20 1 1 A 63 63 THR H H 63 7.960 8.811 -0.851 1
1 781 . 20 1 1 A 63 63 THR HA H 63 5.410 5.022 0.388 1
1 786 . 20 1 1 A 63 63 THR C C 63 173.860 174.163 -0.303 1
1 787 . 20 1 1 A 63 63 THR CA C 63 60.850 61.198 -0.348 1
1 788 . 20 1 1 A 63 63 THR CB C 63 69.790 70.564 -0.774 1
1 790 . 20 1 1 A 63 63 THR N N 63 118.460 116.907 1.553 1
1 791 . 20 1 1 A 64 64 PHE H H 64 9.270 8.333 0.937 1
1 792 . 20 1 1 A 64 64 PHE HA H 64 5.100 5.595 -0.495 1
1 800 . 20 1 1 A 64 64 PHE C C 64 172.280 172.651 -0.371 1
1 801 . 20 1 1 A 64 64 PHE CA C 64 56.020 55.199 0.821 1
1 802 . 20 1 1 A 64 64 PHE CB C 64 38.350 42.114 -3.764 1
1 808 . 20 1 1 A 64 64 PHE N N 64 123.960 123.093 0.867 1
1 809 . 20 1 1 A 65 65 LYS H H 65 8.750 8.913 -0.163 1
1 810 . 20 1 1 A 65 65 LYS HA H 65 5.500 4.847 0.653 1
1 819 . 20 1 1 A 65 65 LYS C C 65 176.300 175.615 0.685 1
1 820 . 20 1 1 A 65 65 LYS CA C 65 54.900 55.780 -0.880 1
1 821 . 20 1 1 A 65 65 LYS CB C 65 37.730 33.949 3.781 1
1 825 . 20 1 1 A 65 65 LYS N N 65 117.930 119.500 -1.570 1
1 826 . 20 1 1 A 66 66 VAL H H 66 8.840 9.061 -0.221 1
1 827 . 20 1 1 A 66 66 VAL HA H 66 4.520 4.595 -0.075 1
1 835 . 20 1 1 A 66 66 VAL C C 66 175.550 175.946 -0.396 1
1 836 . 20 1 1 A 66 66 VAL CA C 66 62.130 61.275 0.855 1
1 837 . 20 1 1 A 66 66 VAL CB C 66 35.100 32.394 2.706 1
1 840 . 20 1 1 A 66 66 VAL N N 66 119.330 125.062 -5.732 1
1 841 . 20 1 1 A 67 67 GLN H H 67 9.690 9.644 0.046 1
1 842 . 20 1 1 A 67 67 GLN HA H 67 4.050 4.086 -0.036 1
1 849 . 20 1 1 A 67 67 GLN C C 67 176.300 176.258 0.042 1
1 850 . 20 1 1 A 67 67 GLN CA C 67 56.720 57.214 -0.494 1
1 851 . 20 1 1 A 67 67 GLN CB C 67 28.230 26.864 1.366 1
1 853 . 20 1 1 A 67 67 GLN N N 67 125.930 128.774 -2.844 1
1 855 . 20 1 1 A 68 68 GLY H H 68 8.980 8.710 0.270 1
1 856 . 20 1 1 A 68 68 GLY HA2 H 68 3.510 3.863 -0.353 1
1 857 . 20 1 1 A 68 68 GLY HA3 H 68 4.140 3.870 0.270 1
1 858 . 20 1 1 A 68 68 GLY C C 68 173.410 173.855 -0.445 1
1 859 . 20 1 1 A 68 68 GLY CA C 68 45.460 45.896 -0.436 1
1 860 . 20 1 1 A 68 68 GLY N N 68 103.510 104.240 -0.730 1
1 861 . 20 1 1 A 69 69 ARG H H 69 8.070 7.807 0.263 1
1 862 . 20 1 1 A 69 69 ARG HA H 69 4.400 4.569 -0.169 1
1 869 . 20 1 1 A 69 69 ARG C C 69 174.880 174.817 0.063 1
1 870 . 20 1 1 A 69 69 ARG CA C 69 54.730 54.234 0.496 1
1 871 . 20 1 1 A 69 69 ARG CB C 69 31.520 32.092 -0.572 1
1 874 . 20 1 1 A 69 69 ARG N N 69 122.680 119.759 2.921 1
1 875 . 20 1 1 A 70 70 LYS H H 70 8.390 8.666 -0.276 1
1 876 . 20 1 1 A 70 70 LYS HA H 70 4.220 4.229 -0.009 1
1 885 . 20 1 1 A 70 70 LYS C C 70 175.330 174.927 0.403 1
1 886 . 20 1 1 A 70 70 LYS CA C 70 57.860 57.183 0.677 1
1 887 . 20 1 1 A 70 70 LYS CB C 70 32.790 32.736 0.054 1
1 891 . 20 1 1 A 70 70 LYS N N 70 123.590 127.172 -3.582 1
1 892 . 20 1 1 A 71 71 VAL H H 71 9.050 8.592 0.458 1
1 893 . 20 1 1 A 71 71 VAL HA H 71 4.140 4.548 -0.408 1
1 901 . 20 1 1 A 71 71 VAL C C 71 173.310 174.093 -0.783 1
1 902 . 20 1 1 A 71 71 VAL CA C 71 61.370 60.571 0.799 1
1 903 . 20 1 1 A 71 71 VAL CB C 71 34.610 35.375 -0.765 1
1 906 . 20 1 1 A 71 71 VAL N N 71 128.340 126.745 1.595 1
1 907 . 20 1 1 A 72 72 GLU H H 72 8.150 8.755 -0.605 1
1 908 . 20 1 1 A 72 72 GLU HA H 72 4.970 4.937 0.033 1
1 913 . 20 1 1 A 72 72 GLU C C 72 174.910 175.416 -0.506 1
1 914 . 20 1 1 A 72 72 GLU CA C 72 54.490 54.788 -0.298 1
1 915 . 20 1 1 A 72 72 GLU CB C 72 31.410 32.646 -1.236 1
1 917 . 20 1 1 A 72 72 GLU N N 72 124.430 125.437 -1.007 1
1 918 . 20 1 1 A 73 73 ALA H H 73 8.420 8.034 0.386 1
1 919 . 20 1 1 A 73 73 ALA HA H 73 4.770 4.800 -0.030 1
1 923 . 20 1 1 A 73 73 ALA C C 73 175.140 175.872 -0.732 1
1 924 . 20 1 1 A 73 73 ALA CA C 73 51.050 50.884 0.166 1
1 925 . 20 1 1 A 73 73 ALA CB C 73 23.060 22.854 0.206 1
1 926 . 20 1 1 A 73 73 ALA N N 73 124.790 122.758 2.032 1
1 927 . 20 1 1 A 74 74 GLU H H 74 8.520 8.432 0.088 1
1 928 . 20 1 1 A 74 74 GLU HA H 74 5.260 5.278 -0.018 1
1 933 . 20 1 1 A 74 74 GLU C C 74 176.570 175.723 0.847 1
1 934 . 20 1 1 A 74 74 GLU CA C 74 55.770 56.758 -0.988 1
1 935 . 20 1 1 A 74 74 GLU CB C 74 29.840 31.352 -1.512 1
1 937 . 20 1 1 A 74 74 GLU N N 74 120.480 118.614 1.866 1
1 938 . 20 1 1 A 75 75 VAL H H 75 9.240 9.222 0.018 1
1 939 . 20 1 1 A 75 75 VAL HA H 75 5.730 5.222 0.508 1
1 947 . 20 1 1 A 75 75 VAL C C 75 174.700 173.817 0.883 1
1 948 . 20 1 1 A 75 75 VAL CA C 75 57.950 60.425 -2.475 1
1 949 . 20 1 1 A 75 75 VAL CB C 75 36.540 35.929 0.611 1
1 952 . 20 1 1 A 75 75 VAL N N 75 113.070 120.478 -7.408 1
1 953 . 20 1 1 A 76 76 LEU H H 76 8.420 8.641 -0.221 1
1 954 . 20 1 1 A 76 76 LEU HA H 76 5.110 5.238 -0.128 1
1 964 . 20 1 1 A 76 76 LEU C C 76 176.970 175.652 1.318 1
1 965 . 20 1 1 A 76 76 LEU CA C 76 52.370 53.062 -0.692 1
1 966 . 20 1 1 A 76 76 LEU CB C 76 45.230 45.667 -0.437 1
1 970 . 20 1 1 A 76 76 LEU N N 76 117.790 128.727 -10.937 1
1 971 . 20 1 1 A 77 77 ALA H H 77 8.930 8.490 0.440 1
1 972 . 20 1 1 A 77 77 ALA HA H 77 4.500 4.646 -0.146 1
1 976 . 20 1 1 A 77 77 ALA C C 77 177.950 176.736 1.214 1
1 977 . 20 1 1 A 77 77 ALA CA C 77 52.090 51.611 0.479 1
1 978 . 20 1 1 A 77 77 ALA CB C 77 20.280 19.660 0.620 1
1 979 . 20 1 1 A 77 77 ALA N N 77 122.210 128.785 -6.575 1
1 980 . 20 1 1 A 78 78 SER H H 78 8.380 8.207 0.173 1
1 981 . 20 1 1 A 78 78 SER HA H 78 5.010 4.848 0.162 1
1 984 . 20 1 1 A 78 78 SER CA C 78 54.230 55.562 -1.332 1
1 985 . 20 1 1 A 78 78 SER CB C 78 66.050 65.989 0.061 1
1 986 . 20 1 1 A 78 78 SER N N 78 117.830 115.997 1.833 1
1 987 . 20 1 1 A 79 79 PRO HA H 79 4.660 4.474 0.186 1
1 994 . 20 1 1 A 79 79 PRO C C 79 176.150 175.960 0.190 1
1 995 . 20 1 1 A 79 79 PRO CA C 79 62.860 63.371 -0.511 1
1 996 . 20 1 1 A 79 79 PRO CB C 79 31.230 31.558 -0.328 1
1 999 . 20 1 1 A 80 80 TYR H H 80 7.380 7.211 0.169 1
1 1000 . 20 1 1 A 80 80 TYR HA H 80 4.710 4.689 0.021 1
1 1007 . 20 1 1 A 80 80 TYR C C 80 175.550 175.892 -0.342 1
1 1008 . 20 1 1 A 80 80 TYR CA C 80 56.150 57.810 -1.660 1
1 1009 . 20 1 1 A 80 80 TYR CB C 80 38.490 39.300 -0.810 1
1 1014 . 20 1 1 A 80 80 TYR N N 80 120.860 120.393 0.467 1
1 1015 . 20 1 1 A 81 81 ASP H H 81 8.290 9.176 -0.886 1
1 1016 . 20 1 1 A 81 81 ASP HA H 81 4.640 5.001 -0.361 1
1 1019 . 20 1 1 A 81 81 ASP C C 81 175.290 175.111 0.179 1
1 1020 . 20 1 1 A 81 81 ASP CA C 81 53.560 53.286 0.274 1
1 1021 . 20 1 1 A 81 81 ASP CB C 81 40.650 41.239 -0.589 1
1 1022 . 20 1 1 A 81 81 ASP N N 81 115.600 119.076 -3.476 1
1 1023 . 20 1 1 A 82 82 TYR H H 82 6.680 7.586 -0.906 1
1 1024 . 20 1 1 A 82 82 TYR HA H 82 5.160 5.091 0.069 1
1 1031 . 20 1 1 A 82 82 TYR C C 82 173.930 172.842 1.088 1
1 1032 . 20 1 1 A 82 82 TYR CA C 82 53.190 56.083 -2.893 1
1 1033 . 20 1 1 A 82 82 TYR CB C 82 40.820 41.308 -0.488 1
1 1038 . 20 1 1 A 82 82 TYR N N 82 116.100 116.493 -0.393 1
1 1039 . 20 1 1 A 83 83 ILE H H 83 8.900 8.462 0.438 1
1 1040 . 20 1 1 A 83 83 ILE HA H 83 4.480 4.728 -0.248 1
1 1050 . 20 1 1 A 83 83 ILE C C 83 175.160 174.875 0.285 1
1 1051 . 20 1 1 A 83 83 ILE CA C 83 60.940 59.550 1.390 1
1 1052 . 20 1 1 A 83 83 ILE CB C 83 40.980 40.859 0.121 1
1 1056 . 20 1 1 A 83 83 ILE N N 83 119.050 119.720 -0.670 1
1 1057 . 20 1 1 A 84 84 LEU H H 84 8.740 9.281 -0.541 1
1 1058 . 20 1 1 A 84 84 LEU HA H 84 5.140 5.196 -0.056 1
1 1068 . 20 1 1 A 84 84 LEU C C 84 174.920 175.214 -0.294 1
1 1069 . 20 1 1 A 84 84 LEU CA C 84 53.800 53.106 0.694 1
1 1070 . 20 1 1 A 84 84 LEU CB C 84 44.100 43.953 0.147 1
1 1074 . 20 1 1 A 84 84 LEU N N 84 130.660 125.933 4.727 1
1 1075 . 20 1 1 A 85 85 LEU H H 85 9.010 9.150 -0.140 1
1 1076 . 20 1 1 A 85 85 LEU HA H 85 4.470 4.977 -0.507 1
1 1086 . 20 1 1 A 85 85 LEU C C 85 174.660 176.234 -1.574 1
1 1087 . 20 1 1 A 85 85 LEU CA C 85 54.080 53.217 0.863 1
1 1088 . 20 1 1 A 85 85 LEU CB C 85 44.350 44.360 -0.010 1
1 1092 . 20 1 1 A 85 85 LEU N N 85 125.210 124.703 0.507 1
1 1093 . 20 1 1 A 86 86 ASN H H 86 8.370 9.235 -0.865 1
1 1094 . 20 1 1 A 86 86 ASN HA H 86 4.680 4.867 -0.187 1
1 1099 . 20 1 1 A 86 86 ASN CA C 86 49.780 50.650 -0.870 1
1 1100 . 20 1 1 A 86 86 ASN CB C 86 38.890 39.371 -0.481 1
1 1101 . 20 1 1 A 86 86 ASN N N 86 122.970 120.994 1.976 1
1 1103 . 20 1 1 A 87 87 PRO HA H 87 3.600 4.562 -0.962 1
1 1110 . 20 1 1 A 87 87 PRO C C 87 178.740 178.180 0.560 1
1 1111 . 20 1 1 A 87 87 PRO CA C 87 65.050 64.404 0.646 1
1 1112 . 20 1 1 A 87 87 PRO CB C 87 33.160 32.020 1.140 1
1 1115 . 20 1 1 A 88 88 SER H H 88 7.580 8.299 -0.719 1
1 1116 . 20 1 1 A 88 88 SER HA H 88 4.100 4.181 -0.081 1
1 1119 . 20 1 1 A 88 88 SER C C 88 175.480 175.710 -0.230 1
1 1120 . 20 1 1 A 88 88 SER CA C 88 60.730 61.318 -0.588 1
1 1121 . 20 1 1 A 88 88 SER CB C 88 62.870 63.125 -0.255 1
1 1122 . 20 1 1 A 88 88 SER N N 88 109.530 113.387 -3.857 1
1 1123 . 20 1 1 A 89 89 ASP H H 89 8.170 8.596 -0.426 1
1 1124 . 20 1 1 A 89 89 ASP HA H 89 4.770 4.505 0.265 1
1 1127 . 20 1 1 A 89 89 ASP C C 89 175.730 176.562 -0.832 1
1 1128 . 20 1 1 A 89 89 ASP CA C 89 56.030 56.423 -0.393 1
1 1129 . 20 1 1 A 89 89 ASP CB C 89 41.380 40.372 1.008 1
1 1130 . 20 1 1 A 89 89 ASP N N 89 118.600 119.381 -0.781 1
1 1131 . 20 1 1 A 90 90 VAL H H 90 7.050 7.281 -0.231 1
1 1132 . 20 1 1 A 90 90 VAL HA H 90 4.050 2.814 1.236 1
1 1140 . 20 1 1 A 90 90 VAL CA C 90 56.960 58.515 -1.555 1
1 1141 . 20 1 1 A 90 90 VAL CB C 90 31.710 31.363 0.347 1
1 1144 . 20 1 1 A 90 90 VAL N N 90 109.580 115.082 -5.502 1
1 1145 . 20 1 1 A 91 91 PRO HA H 91 4.250 4.338 -0.088 1
1 1152 . 20 1 1 A 91 91 PRO C C 91 176.870 178.284 -1.414 1
1 1153 . 20 1 1 A 91 91 PRO CA C 91 65.190 64.650 0.540 1
1 1154 . 20 1 1 A 91 91 PRO CB C 91 31.470 31.899 -0.429 1
1 1157 . 20 1 1 A 92 92 TRP H H 92 6.720 7.959 -1.239 1
1 1158 . 20 1 1 A 92 92 TRP HA H 92 4.570 4.439 0.131 1
1 1167 . 20 1 1 A 92 92 TRP C C 92 176.630 178.302 -1.672 1
1 1168 . 20 1 1 A 92 92 TRP CA C 92 56.910 60.215 -3.305 1
1 1169 . 20 1 1 A 92 92 TRP CB C 92 27.990 28.146 -0.156 1
1 1175 . 20 1 1 A 92 92 TRP N N 92 115.110 117.698 -2.588 1
1 1177 . 20 1 1 A 93 93 LEU H H 93 7.150 7.343 -0.193 1
1 1178 . 20 1 1 A 93 93 LEU HA H 93 4.220 3.963 0.257 1
1 1188 . 20 1 1 A 93 93 LEU C C 93 176.210 178.604 -2.394 1
1 1189 . 20 1 1 A 93 93 LEU CA C 93 55.350 57.883 -2.533 1
1 1190 . 20 1 1 A 93 93 LEU CB C 93 42.190 41.144 1.046 1
1 1194 . 20 1 1 A 93 93 LEU N N 93 123.090 124.720 -1.630 1
1 1195 . 20 1 1 A 94 94 MET H H 94 7.730 7.981 -0.251 1
1 1196 . 20 1 1 A 94 94 MET HA H 94 4.340 4.005 0.335 1
1 1201 . 20 1 1 A 94 94 MET C C 94 175.550 176.955 -1.405 1
1 1202 . 20 1 1 A 94 94 MET CA C 94 55.120 58.343 -3.223 1
1 1203 . 20 1 1 A 94 94 MET CB C 94 32.630 32.024 0.606 1
1 1205 . 20 1 1 A 94 94 MET N N 94 118.250 116.404 1.846 1
1 1206 . 20 1 1 A 95 95 LYS H H 95 7.950 7.653 0.297 1
1 1207 . 20 1 1 A 95 95 LYS HA H 95 4.260 4.139 0.121 1
1 1210 . 20 1 1 A 95 95 LYS C C 95 176.130 175.726 0.404 1
1 1211 . 20 1 1 A 95 95 LYS CA C 95 56.150 56.767 -0.617 1
1 1212 . 20 1 1 A 95 95 LYS CB C 95 33.010 33.124 -0.114 1
1 1213 . 20 1 1 A 95 95 LYS N N 95 121.650 120.541 1.109 1
1 1214 . 20 1 1 A 96 96 LYS H H 96 8.260 8.544 -0.284 1
1 1215 . 20 1 1 A 96 96 LYS N N 96 123.570 126.642 -3.072 1
1 1216 . 20 1 1 A 97 97 PRO HA H 97 4.530 4.580 -0.050 1
1 1219 . 20 1 1 A 97 97 PRO C C 97 176.830 176.240 0.590 1
1 1220 . 20 1 1 A 97 97 PRO CA C 97 63.180 64.085 -0.905 1
1 1221 . 20 1 1 A 97 97 PRO CB C 97 32.050 32.100 -0.050 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 82 1.015 1
2 1 1 1 "RMS(OBS, PRED)" CA 88 1.173 1
3 1 1 1 "RMS(OBS, PRED)" CB 84 1.278 1
4 1 1 1 "RMS(OBS, PRED)" H 81 0.504 1
5 1 1 1 "RMS(OBS, PRED)" HA 92 0.351 1
6 1 1 1 "RMS(OBS, PRED)" N 81 2.800 1
7 1 2 1 "RMS(OBS, PRED)" C 82 0.903 1
8 1 2 1 "RMS(OBS, PRED)" CA 88 1.099 1
9 1 2 1 "RMS(OBS, PRED)" CB 84 1.300 1
10 1 2 1 "RMS(OBS, PRED)" H 81 0.498 1
11 1 2 1 "RMS(OBS, PRED)" HA 92 0.345 1
12 1 2 1 "RMS(OBS, PRED)" N 81 2.828 1
13 1 3 1 "RMS(OBS, PRED)" C 82 1.037 1
14 1 3 1 "RMS(OBS, PRED)" CA 88 1.146 1
15 1 3 1 "RMS(OBS, PRED)" CB 84 1.314 1
16 1 3 1 "RMS(OBS, PRED)" H 81 0.473 1
17 1 3 1 "RMS(OBS, PRED)" HA 92 0.345 1
18 1 3 1 "RMS(OBS, PRED)" N 81 2.771 1
19 1 4 1 "RMS(OBS, PRED)" C 82 0.937 1
20 1 4 1 "RMS(OBS, PRED)" CA 88 1.151 1
21 1 4 1 "RMS(OBS, PRED)" CB 84 1.230 1
22 1 4 1 "RMS(OBS, PRED)" H 81 0.499 1
23 1 4 1 "RMS(OBS, PRED)" HA 92 0.324 1
24 1 4 1 "RMS(OBS, PRED)" N 81 2.678 1
25 1 5 1 "RMS(OBS, PRED)" C 82 1.020 1
26 1 5 1 "RMS(OBS, PRED)" CA 88 1.086 1
27 1 5 1 "RMS(OBS, PRED)" CB 84 1.298 1
28 1 5 1 "RMS(OBS, PRED)" H 81 0.537 1
29 1 5 1 "RMS(OBS, PRED)" HA 92 0.328 1
30 1 5 1 "RMS(OBS, PRED)" N 81 2.708 1
31 1 6 1 "RMS(OBS, PRED)" C 82 1.022 1
32 1 6 1 "RMS(OBS, PRED)" CA 88 1.173 1
33 1 6 1 "RMS(OBS, PRED)" CB 84 1.276 1
34 1 6 1 "RMS(OBS, PRED)" H 81 0.562 1
35 1 6 1 "RMS(OBS, PRED)" HA 92 0.338 1
36 1 6 1 "RMS(OBS, PRED)" N 81 2.761 1
37 1 7 1 "RMS(OBS, PRED)" C 82 0.998 1
38 1 7 1 "RMS(OBS, PRED)" CA 88 1.205 1
39 1 7 1 "RMS(OBS, PRED)" CB 84 1.352 1
40 1 7 1 "RMS(OBS, PRED)" H 81 0.528 1
41 1 7 1 "RMS(OBS, PRED)" HA 92 0.343 1
42 1 7 1 "RMS(OBS, PRED)" N 81 3.097 1
43 1 8 1 "RMS(OBS, PRED)" C 82 0.946 1
44 1 8 1 "RMS(OBS, PRED)" CA 88 1.128 1
45 1 8 1 "RMS(OBS, PRED)" CB 84 1.306 1
46 1 8 1 "RMS(OBS, PRED)" H 81 0.514 1
47 1 8 1 "RMS(OBS, PRED)" HA 92 0.333 1
48 1 8 1 "RMS(OBS, PRED)" N 81 2.679 1
49 1 9 1 "RMS(OBS, PRED)" C 82 1.054 1
50 1 9 1 "RMS(OBS, PRED)" CA 88 1.161 1
51 1 9 1 "RMS(OBS, PRED)" CB 84 1.319 1
52 1 9 1 "RMS(OBS, PRED)" H 81 0.521 1
53 1 9 1 "RMS(OBS, PRED)" HA 92 0.355 1
54 1 9 1 "RMS(OBS, PRED)" N 81 3.107 1
55 1 10 1 "RMS(OBS, PRED)" C 82 1.005 1
56 1 10 1 "RMS(OBS, PRED)" CA 88 1.188 1
57 1 10 1 "RMS(OBS, PRED)" CB 84 1.312 1
58 1 10 1 "RMS(OBS, PRED)" H 81 0.495 1
59 1 10 1 "RMS(OBS, PRED)" HA 92 0.334 1
60 1 10 1 "RMS(OBS, PRED)" N 81 2.952 1
61 1 11 1 "RMS(OBS, PRED)" C 82 0.991 1
62 1 11 1 "RMS(OBS, PRED)" CA 88 1.209 1
63 1 11 1 "RMS(OBS, PRED)" CB 84 1.377 1
64 1 11 1 "RMS(OBS, PRED)" H 81 0.495 1
65 1 11 1 "RMS(OBS, PRED)" HA 92 0.365 1
66 1 11 1 "RMS(OBS, PRED)" N 81 3.052 1
67 1 12 1 "RMS(OBS, PRED)" C 82 1.050 1
68 1 12 1 "RMS(OBS, PRED)" CA 88 1.150 1
69 1 12 1 "RMS(OBS, PRED)" CB 84 1.207 1
70 1 12 1 "RMS(OBS, PRED)" H 81 0.490 1
71 1 12 1 "RMS(OBS, PRED)" HA 92 0.345 1
72 1 12 1 "RMS(OBS, PRED)" N 81 2.697 1
73 1 13 1 "RMS(OBS, PRED)" C 82 0.970 1
74 1 13 1 "RMS(OBS, PRED)" CA 88 1.172 1
75 1 13 1 "RMS(OBS, PRED)" CB 84 1.242 1
76 1 13 1 "RMS(OBS, PRED)" H 81 0.509 1
77 1 13 1 "RMS(OBS, PRED)" HA 92 0.317 1
78 1 13 1 "RMS(OBS, PRED)" N 81 2.947 1
79 1 14 1 "RMS(OBS, PRED)" C 82 1.005 1
80 1 14 1 "RMS(OBS, PRED)" CA 88 1.164 1
81 1 14 1 "RMS(OBS, PRED)" CB 84 1.243 1
82 1 14 1 "RMS(OBS, PRED)" H 81 0.534 1
83 1 14 1 "RMS(OBS, PRED)" HA 92 0.346 1
84 1 14 1 "RMS(OBS, PRED)" N 81 2.799 1
85 1 15 1 "RMS(OBS, PRED)" C 82 1.107 1
86 1 15 1 "RMS(OBS, PRED)" CA 88 1.210 1
87 1 15 1 "RMS(OBS, PRED)" CB 84 1.314 1
88 1 15 1 "RMS(OBS, PRED)" H 81 0.515 1
89 1 15 1 "RMS(OBS, PRED)" HA 92 0.346 1
90 1 15 1 "RMS(OBS, PRED)" N 81 2.981 1
91 1 16 1 "RMS(OBS, PRED)" C 82 1.033 1
92 1 16 1 "RMS(OBS, PRED)" CA 88 1.177 1
93 1 16 1 "RMS(OBS, PRED)" CB 84 1.212 1
94 1 16 1 "RMS(OBS, PRED)" H 81 0.508 1
95 1 16 1 "RMS(OBS, PRED)" HA 92 0.334 1
96 1 16 1 "RMS(OBS, PRED)" N 81 2.872 1
97 1 17 1 "RMS(OBS, PRED)" C 82 1.002 1
98 1 17 1 "RMS(OBS, PRED)" CA 88 1.173 1
99 1 17 1 "RMS(OBS, PRED)" CB 84 1.243 1
100 1 17 1 "RMS(OBS, PRED)" H 81 0.538 1
101 1 17 1 "RMS(OBS, PRED)" HA 92 0.329 1
102 1 17 1 "RMS(OBS, PRED)" N 81 2.556 1
103 1 18 1 "RMS(OBS, PRED)" C 82 1.018 1
104 1 18 1 "RMS(OBS, PRED)" CA 88 1.076 1
105 1 18 1 "RMS(OBS, PRED)" CB 84 1.261 1
106 1 18 1 "RMS(OBS, PRED)" H 81 0.514 1
107 1 18 1 "RMS(OBS, PRED)" HA 92 0.342 1
108 1 18 1 "RMS(OBS, PRED)" N 81 2.911 1
109 1 19 1 "RMS(OBS, PRED)" C 82 1.028 1
110 1 19 1 "RMS(OBS, PRED)" CA 88 1.137 1
111 1 19 1 "RMS(OBS, PRED)" CB 84 1.304 1
112 1 19 1 "RMS(OBS, PRED)" H 81 0.522 1
113 1 19 1 "RMS(OBS, PRED)" HA 92 0.339 1
114 1 19 1 "RMS(OBS, PRED)" N 81 2.971 1
115 1 20 1 "RMS(OBS, PRED)" C 82 1.018 1
116 1 20 1 "RMS(OBS, PRED)" CA 88 1.198 1
117 1 20 1 "RMS(OBS, PRED)" CB 84 1.163 1
118 1 20 1 "RMS(OBS, PRED)" H 81 0.511 1
119 1 20 1 "RMS(OBS, PRED)" HA 92 0.333 1
120 1 20 1 "RMS(OBS, PRED)" N 81 3.024 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 88 . 1 1 A 9 9 PRO HA H 9 4.410 4.347 0.063 2
1 95 . 1 1 A 9 9 PRO C C 9 176.460 176.753 -0.293 2
1 96 . 1 1 A 9 9 PRO CA C 9 63.030 62.305 0.725 2
1 97 . 1 1 A 9 9 PRO CB C 9 32.210 31.828 0.382 2
1 100 . 1 1 A 10 10 LEU H H 10 9.190 8.721 0.469 2
1 101 . 1 1 A 10 10 LEU HA H 10 4.640 4.618 0.022 2
1 111 . 1 1 A 10 10 LEU C C 10 176.620 176.467 0.153 2
1 112 . 1 1 A 10 10 LEU CA C 10 53.420 53.974 -0.554 2
1 113 . 1 1 A 10 10 LEU CB C 10 44.290 42.794 1.496 2
1 117 . 1 1 A 10 10 LEU N N 10 123.060 122.512 0.548 2
1 118 . 1 1 A 11 11 GLU H H 11 8.720 8.510 0.210 2
1 119 . 1 1 A 11 11 GLU HA H 11 4.490 5.064 -0.574 2
1 124 . 1 1 A 11 11 GLU C C 11 176.620 175.651 0.969 2
1 125 . 1 1 A 11 11 GLU CA C 11 57.060 55.190 1.870 2
1 126 . 1 1 A 11 11 GLU CB C 11 30.820 32.284 -1.464 2
1 128 . 1 1 A 11 11 GLU N N 11 121.330 120.250 1.080 2
1 129 . 1 1 A 12 12 ALA H H 12 8.760 8.701 0.059 2
1 130 . 1 1 A 12 12 ALA HA H 12 5.390 5.357 0.033 2
1 134 . 1 1 A 12 12 ALA C C 12 176.040 175.185 0.856 2
1 135 . 1 1 A 12 12 ALA CA C 12 50.350 51.106 -0.756 2
1 136 . 1 1 A 12 12 ALA CB C 12 24.490 23.641 0.849 2
1 137 . 1 1 A 12 12 ALA N N 12 127.010 124.736 2.274 2
1 138 . 1 1 A 13 13 GLU H H 13 8.850 9.144 -0.294 2
1 139 . 1 1 A 13 13 GLU HA H 13 5.240 5.534 -0.294 2
1 144 . 1 1 A 13 13 GLU C C 13 175.320 175.114 0.206 2
1 145 . 1 1 A 13 13 GLU CA C 13 55.580 54.980 0.600 2
1 146 . 1 1 A 13 13 GLU CB C 13 34.410 32.529 1.881 2
1 148 . 1 1 A 13 13 GLU N N 13 119.980 121.236 -1.256 2
1 149 . 1 1 A 14 14 ILE H H 14 8.420 8.871 -0.452 2
1 150 . 1 1 A 14 14 ILE HA H 14 4.210 4.631 -0.421 2
1 160 . 1 1 A 14 14 ILE C C 14 174.520 175.956 -1.436 2
1 161 . 1 1 A 14 14 ILE CA C 14 61.000 59.921 1.079 2
1 162 . 1 1 A 14 14 ILE CB C 14 40.430 39.323 1.107 2
1 166 . 1 1 A 14 14 ILE N N 14 123.990 126.636 -2.646 2
1 167 . 1 1 A 15 15 LYS H H 15 9.590 9.458 0.132 2
1 168 . 1 1 A 15 15 LYS HA H 15 3.880 4.057 -0.177 2
1 177 . 1 1 A 15 15 LYS C C 15 176.880 176.646 0.234 2
1 178 . 1 1 A 15 15 LYS CA C 15 57.890 57.517 0.373 2
1 179 . 1 1 A 15 15 LYS CB C 15 30.550 30.373 0.177 2
1 183 . 1 1 A 15 15 LYS N N 15 124.930 128.508 -3.578 2
1 184 . 1 1 A 16 16 GLY H H 16 8.730 8.491 0.239 2
1 185 . 1 1 A 16 16 GLY HA2 H 16 3.670 3.882 -0.212 2
1 186 . 1 1 A 16 16 GLY HA3 H 16 4.230 3.887 0.343 2
1 187 . 1 1 A 16 16 GLY C C 16 174.360 174.181 0.179 2
1 188 . 1 1 A 16 16 GLY CA C 16 45.540 45.313 0.227 2
1 189 . 1 1 A 16 16 GLY N N 16 104.580 105.846 -1.266 2
1 190 . 1 1 A 17 17 THR H H 17 8.400 8.275 0.125 2
1 191 . 1 1 A 17 17 THR HA H 17 4.490 4.319 0.171 2
1 196 . 1 1 A 17 17 THR C C 17 172.970 173.888 -0.918 2
1 197 . 1 1 A 17 17 THR CA C 17 62.580 63.315 -0.735 2
1 198 . 1 1 A 17 17 THR CB C 17 70.320 69.530 0.790 2
1 200 . 1 1 A 17 17 THR N N 17 120.070 116.953 3.117 2
1 201 . 1 1 A 18 18 LYS H H 18 8.750 8.736 0.014 2
1 202 . 1 1 A 18 18 LYS HA H 18 4.920 4.818 0.102 2
1 211 . 1 1 A 18 18 LYS C C 18 175.860 175.425 0.435 2
1 212 . 1 1 A 18 18 LYS CA C 18 56.350 56.114 0.236 2
1 213 . 1 1 A 18 18 LYS CB C 18 32.940 33.307 -0.367 2
1 217 . 1 1 A 18 18 LYS N N 18 127.270 127.748 -0.478 2
1 218 . 1 1 A 19 19 LEU H H 19 8.750 9.032 -0.282 2
1 219 . 1 1 A 19 19 LEU HA H 19 4.850 5.024 -0.174 2
1 229 . 1 1 A 19 19 LEU C C 19 174.210 175.819 -1.609 2
1 230 . 1 1 A 19 19 LEU CA C 19 55.160 53.437 1.723 2
1 231 . 1 1 A 19 19 LEU CB C 19 43.340 46.133 -2.793 2
1 235 . 1 1 A 19 19 LEU N N 19 123.470 126.724 -3.254 2
1 236 . 1 1 A 20 20 LYS H H 20 8.660 8.412 0.248 2
1 237 . 1 1 A 20 20 LYS HA H 20 5.180 4.756 0.424 2
1 246 . 1 1 A 20 20 LYS C C 20 175.650 175.747 -0.097 2
1 247 . 1 1 A 20 20 LYS CA C 20 54.630 55.733 -1.103 2
1 248 . 1 1 A 20 20 LYS CB C 20 34.710 34.016 0.694 2
1 252 . 1 1 A 20 20 LYS N N 20 118.320 121.112 -2.792 2
1 253 . 1 1 A 21 21 ALA H H 21 8.860 8.720 0.140 2
1 254 . 1 1 A 21 21 ALA HA H 21 5.470 5.403 0.067 2
1 258 . 1 1 A 21 21 ALA C C 21 174.740 175.629 -0.889 2
1 259 . 1 1 A 21 21 ALA CA C 21 49.510 50.556 -1.046 2
1 260 . 1 1 A 21 21 ALA CB C 21 22.990 24.151 -1.161 2
1 261 . 1 1 A 21 21 ALA N N 21 120.460 122.740 -2.280 2
1 262 . 1 1 A 22 22 HIS H H 22 9.140 9.044 0.096 2
1 263 . 1 1 A 22 22 HIS HA H 22 5.070 5.237 -0.167 2
1 268 . 1 1 A 22 22 HIS C C 22 174.310 174.013 0.297 2
1 269 . 1 1 A 22 22 HIS CA C 22 54.040 53.707 0.333 2
1 270 . 1 1 A 22 22 HIS CB C 22 32.390 33.231 -0.841 2
1 272 . 1 1 A 22 22 HIS N N 22 119.890 115.379 4.511 2
1 273 . 1 1 A 23 23 TRP H H 23 9.160 9.105 0.055 2
1 274 . 1 1 A 23 23 TRP HA H 23 4.360 4.826 -0.466 2
1 283 . 1 1 A 23 23 TRP C C 23 175.070 174.866 0.204 2
1 284 . 1 1 A 23 23 TRP CA C 23 59.160 56.808 2.352 2
1 285 . 1 1 A 23 23 TRP CB C 23 30.710 30.269 0.441 2
1 291 . 1 1 A 23 23 TRP N N 23 126.610 126.338 0.272 2
1 293 . 1 1 A 24 24 ASP H H 24 7.720 7.970 -0.250 2
1 294 . 1 1 A 24 24 ASP HA H 24 4.880 4.809 0.071 2
1 297 . 1 1 A 24 24 ASP C C 24 175.340 175.591 -0.251 2
1 298 . 1 1 A 24 24 ASP CA C 24 53.030 52.403 0.627 2
1 299 . 1 1 A 24 24 ASP CB C 24 43.510 42.051 1.459 2
1 300 . 1 1 A 24 24 ASP N N 24 126.750 128.404 -1.654 2
1 301 . 1 1 A 25 25 SER H H 25 8.490 8.384 0.106 2
1 302 . 1 1 A 25 25 SER HA H 25 3.580 3.481 0.100 2
1 305 . 1 1 A 25 25 SER C C 25 175.340 176.555 -1.215 2
1 306 . 1 1 A 25 25 SER CA C 25 60.640 60.895 -0.255 2
1 307 . 1 1 A 25 25 SER CB C 25 62.990 62.539 0.451 2
1 308 . 1 1 A 25 25 SER N N 25 119.220 119.917 -0.697 2
1 309 . 1 1 A 26 26 GLY H H 26 8.670 7.987 0.683 2
1 310 . 1 1 A 26 26 GLY HA2 H 26 3.630 3.849 -0.220 2
1 311 . 1 1 A 26 26 GLY HA3 H 26 4.200 3.854 0.346 2
1 312 . 1 1 A 26 26 GLY C C 26 174.190 174.659 -0.469 2
1 313 . 1 1 A 26 26 GLY CA C 26 44.760 46.689 -1.929 2
1 314 . 1 1 A 26 26 GLY N N 26 109.290 108.778 0.512 2
1 315 . 1 1 A 27 27 ALA H H 27 7.550 7.328 0.222 2
1 316 . 1 1 A 27 27 ALA HA H 27 4.370 4.263 0.107 2
1 320 . 1 1 A 27 27 ALA C C 27 178.430 177.776 0.654 2
1 321 . 1 1 A 27 27 ALA CA C 27 52.240 52.138 0.102 2
1 322 . 1 1 A 27 27 ALA CB C 27 18.240 19.404 -1.164 2
1 323 . 1 1 A 27 27 ALA N N 27 124.840 123.109 1.731 2
1 324 . 1 1 A 28 28 THR H H 28 8.260 8.909 -0.649 2
1 325 . 1 1 A 28 28 THR HA H 28 4.230 4.454 -0.224 2
1 330 . 1 1 A 28 28 THR C C 28 173.830 174.449 -0.619 2
1 331 . 1 1 A 28 28 THR CA C 28 62.180 62.349 -0.169 2
1 332 . 1 1 A 28 28 THR CB C 28 69.240 69.519 -0.279 2
1 333 . 1 1 A 28 28 THR N N 28 112.480 114.604 -2.124 2
1 334 . 1 1 A 29 29 ILE H H 29 7.460 7.555 -0.095 2
1 335 . 1 1 A 29 29 ILE HA H 29 4.540 4.702 -0.162 2
1 345 . 1 1 A 29 29 ILE C C 29 173.440 174.375 -0.935 2
1 346 . 1 1 A 29 29 ILE CA C 29 60.540 59.455 1.085 2
1 347 . 1 1 A 29 29 ILE CB C 29 40.780 41.937 -1.157 2
1 351 . 1 1 A 29 29 ILE N N 29 118.820 121.317 -2.498 2
1 352 . 1 1 A 30 30 THR H H 30 9.380 8.636 0.744 2
1 353 . 1 1 A 30 30 THR HA H 30 4.870 4.399 0.471 2
1 358 . 1 1 A 30 30 THR C C 30 173.600 173.973 -0.373 2
1 359 . 1 1 A 30 30 THR CA C 30 64.280 63.073 1.207 2
1 360 . 1 1 A 30 30 THR CB C 30 69.840 69.485 0.355 2
1 361 . 1 1 A 30 30 THR N N 30 129.290 121.027 8.263 2
1 362 . 1 1 A 31 31 CYS H H 31 9.180 8.610 0.570 2
1 363 . 1 1 A 31 31 CYS HA H 31 5.530 5.180 0.350 2
1 366 . 1 1 A 31 31 CYS C C 31 174.420 173.399 1.021 2
1 367 . 1 1 A 31 31 CYS CA C 31 56.540 57.091 -0.551 2
1 368 . 1 1 A 31 31 CYS CB C 31 30.780 30.317 0.463 2
1 369 . 1 1 A 31 31 CYS N N 31 122.220 125.182 -2.962 2
1 370 . 1 1 A 32 32 VAL H H 32 9.090 8.906 0.184 2
1 371 . 1 1 A 32 32 VAL HA H 32 4.710 4.664 0.046 2
1 379 . 1 1 A 32 32 VAL CA C 32 57.300 58.060 -0.760 2
1 380 . 1 1 A 32 32 VAL CB C 32 32.860 34.288 -1.428 2
1 383 . 1 1 A 32 32 VAL N N 32 117.890 121.295 -3.405 2
1 384 . 1 1 A 33 33 PRO HA H 33 4.530 5.245 -0.715 2
1 391 . 1 1 A 33 33 PRO C C 33 178.110 177.827 0.284 2
1 392 . 1 1 A 33 33 PRO CA C 33 64.140 62.543 1.597 2
1 393 . 1 1 A 33 33 PRO CB C 33 32.200 32.079 0.121 2
1 396 . 1 1 A 34 34 GLU H H 34 8.380 8.566 -0.186 2
1 397 . 1 1 A 34 34 GLU HA H 34 3.730 3.905 -0.175 2
1 402 . 1 1 A 34 34 GLU C C 34 177.830 178.356 -0.526 2
1 403 . 1 1 A 34 34 GLU CA C 34 59.480 59.571 -0.091 2
1 404 . 1 1 A 34 34 GLU CB C 34 29.860 29.321 0.539 2
1 406 . 1 1 A 34 34 GLU N N 34 122.200 124.304 -2.104 2
1 407 . 1 1 A 35 35 ALA H H 35 9.050 8.130 0.920 2
1 408 . 1 1 A 35 35 ALA HA H 35 4.030 4.027 0.003 2
1 412 . 1 1 A 35 35 ALA C C 35 180.250 178.961 1.289 2
1 413 . 1 1 A 35 35 ALA CA C 35 54.850 54.812 0.038 2
1 414 . 1 1 A 35 35 ALA CB C 35 18.160 18.508 -0.348 2
1 415 . 1 1 A 35 35 ALA N N 35 123.090 121.918 1.172 2
1 416 . 1 1 A 36 36 PHE H H 36 7.510 8.343 -0.833 2
1 417 . 1 1 A 36 36 PHE HA H 36 4.370 4.409 -0.039 2
1 425 . 1 1 A 36 36 PHE C C 36 174.870 176.915 -2.045 2
1 426 . 1 1 A 36 36 PHE CA C 36 60.160 59.370 0.790 2
1 427 . 1 1 A 36 36 PHE CB C 36 38.930 39.231 -0.301 2
1 433 . 1 1 A 36 36 PHE N N 36 112.030 115.314 -3.284 2
1 434 . 1 1 A 37 37 LEU H H 37 7.640 8.234 -0.594 2
1 435 . 1 1 A 37 37 LEU HA H 37 4.230 4.481 -0.251 2
1 445 . 1 1 A 37 37 LEU C C 37 177.380 177.204 0.176 2
1 446 . 1 1 A 37 37 LEU CA C 37 53.080 54.556 -1.476 2
1 447 . 1 1 A 37 37 LEU CB C 37 41.050 41.786 -0.736 2
1 451 . 1 1 A 37 37 LEU N N 37 116.800 118.337 -1.537 2
1 452 . 1 1 A 38 38 GLU H H 38 7.050 7.884 -0.834 2
1 453 . 1 1 A 38 38 GLU HA H 38 3.980 4.008 -0.028 2
1 458 . 1 1 A 38 38 GLU C C 38 176.630 177.304 -0.675 2
1 459 . 1 1 A 38 38 GLU CA C 38 59.250 59.381 -0.131 2
1 460 . 1 1 A 38 38 GLU CB C 38 29.870 29.451 0.419 2
1 462 . 1 1 A 38 38 GLU N N 38 121.260 121.011 0.249 2
1 463 . 1 1 A 39 39 ASP H H 39 8.690 8.026 0.664 2
1 464 . 1 1 A 39 39 ASP HA H 39 4.700 4.791 -0.091 2
1 467 . 1 1 A 39 39 ASP C C 39 175.570 175.534 0.036 2
1 468 . 1 1 A 39 39 ASP CA C 39 53.760 53.619 0.141 2
1 469 . 1 1 A 39 39 ASP CB C 39 40.010 41.101 -1.091 2
1 470 . 1 1 A 39 39 ASP N N 39 115.590 116.892 -1.302 2
1 471 . 1 1 A 40 40 GLU H H 40 7.460 8.169 -0.709 2
1 472 . 1 1 A 40 40 GLU HA H 40 4.720 4.713 0.008 2
1 477 . 1 1 A 40 40 GLU C C 40 175.660 175.938 -0.278 2
1 478 . 1 1 A 40 40 GLU CA C 40 54.240 55.691 -1.451 2
1 479 . 1 1 A 40 40 GLU CB C 40 31.240 31.148 0.092 2
1 481 . 1 1 A 40 40 GLU N N 40 118.210 118.576 -0.366 2
1 482 . 1 1 A 41 41 ARG H H 41 9.130 8.852 0.278 2
1 483 . 1 1 A 41 41 ARG HA H 41 5.080 5.023 0.057 2
1 490 . 1 1 A 41 41 ARG CA C 41 52.540 52.978 -0.438 2
1 491 . 1 1 A 41 41 ARG CB C 41 31.240 32.174 -0.934 2
1 494 . 1 1 A 41 41 ARG N N 41 121.830 122.057 -0.227 2
1 495 . 1 1 A 42 42 PRO HA H 42 3.840 4.170 -0.330 2
1 502 . 1 1 A 42 42 PRO C C 42 177.180 177.125 0.055 2
1 503 . 1 1 A 42 42 PRO CA C 42 63.010 62.066 0.944 2
1 504 . 1 1 A 42 42 PRO CB C 42 32.490 31.326 1.164 2
1 507 . 1 1 A 43 43 ILE H H 43 9.110 8.085 1.025 2
1 508 . 1 1 A 43 43 ILE HA H 43 4.410 4.092 0.318 2
1 518 . 1 1 A 43 43 ILE C C 43 176.220 176.016 0.204 2
1 519 . 1 1 A 43 43 ILE CA C 43 61.480 62.231 -0.751 2
1 520 . 1 1 A 43 43 ILE CB C 43 39.510 38.441 1.069 2
1 524 . 1 1 A 43 43 ILE N N 43 115.610 118.826 -3.216 2
1 525 . 1 1 A 44 44 GLN H H 44 7.750 7.435 0.315 2
1 526 . 1 1 A 44 44 GLN HA H 44 4.610 4.754 -0.144 2
1 533 . 1 1 A 44 44 GLN C C 44 173.610 174.124 -0.513 2
1 534 . 1 1 A 44 44 GLN CA C 44 55.140 54.323 0.817 2
1 535 . 1 1 A 44 44 GLN CB C 44 31.460 33.354 -1.894 2
1 537 . 1 1 A 44 44 GLN N N 44 118.360 119.860 -1.500 2
1 539 . 1 1 A 45 45 THR H H 45 8.560 8.753 -0.193 2
1 540 . 1 1 A 45 45 THR HA H 45 5.140 5.096 0.044 2
1 545 . 1 1 A 45 45 THR C C 45 177.830 173.400 4.430 2
1 546 . 1 1 A 45 45 THR CA C 45 61.450 59.976 1.474 2
1 547 . 1 1 A 45 45 THR CB C 45 71.380 71.768 -0.388 2
1 549 . 1 1 A 45 45 THR N N 45 115.470 112.633 2.837 2
1 550 . 1 1 A 46 46 MET H H 46 9.100 9.179 -0.079 2
1 551 . 1 1 A 46 46 MET HA H 46 4.730 5.045 -0.315 2
1 556 . 1 1 A 46 46 MET C C 46 173.520 173.997 -0.477 2
1 557 . 1 1 A 46 46 MET CA C 46 54.560 54.421 0.139 2
1 558 . 1 1 A 46 46 MET CB C 46 36.500 36.854 -0.354 2
1 560 . 1 1 A 46 46 MET N N 46 123.160 121.457 1.703 2
1 561 . 1 1 A 47 47 LEU H H 47 8.490 8.763 -0.273 2
1 562 . 1 1 A 47 47 LEU HA H 47 4.730 5.046 -0.316 2
1 572 . 1 1 A 47 47 LEU C C 47 176.210 175.285 0.925 2
1 573 . 1 1 A 47 47 LEU CA C 47 54.440 53.643 0.797 2
1 574 . 1 1 A 47 47 LEU CB C 47 42.540 44.039 -1.499 2
1 578 . 1 1 A 47 47 LEU N N 47 124.300 124.646 -0.346 2
1 579 . 1 1 A 48 48 ILE H H 48 8.990 9.337 -0.347 2
1 580 . 1 1 A 48 48 ILE HA H 48 4.430 4.876 -0.446 2
1 590 . 1 1 A 48 48 ILE C C 48 175.040 174.394 0.646 2
1 591 . 1 1 A 48 48 ILE CA C 48 59.150 60.003 -0.853 2
1 592 . 1 1 A 48 48 ILE CB C 48 39.910 40.783 -0.873 2
1 596 . 1 1 A 48 48 ILE N N 48 125.760 126.518 -0.758 2
1 597 . 1 1 A 49 49 LYS H H 49 8.710 8.974 -0.264 2
1 598 . 1 1 A 49 49 LYS HA H 49 4.550 5.105 -0.555 2
1 607 . 1 1 A 49 49 LYS C C 49 176.060 175.669 0.391 2
1 608 . 1 1 A 49 49 LYS CA C 49 56.570 54.900 1.670 2
1 609 . 1 1 A 49 49 LYS CB C 49 33.010 35.264 -2.254 2
1 613 . 1 1 A 49 49 LYS N N 49 126.480 127.544 -1.064 2
1 614 . 1 1 A 50 50 THR H H 50 8.150 9.026 -0.876 2
1 615 . 1 1 A 50 50 THR HA H 50 4.860 4.977 -0.117 2
1 620 . 1 1 A 50 50 THR CA C 50 60.030 59.729 0.301 2
1 621 . 1 1 A 50 50 THR CB C 50 72.820 71.804 1.016 2
1 623 . 1 1 A 50 50 THR N N 50 116.220 116.126 0.094 2
1 624 . 1 1 A 51 51 ILE HA H 51 4.400 3.803 0.597 2
1 634 . 1 1 A 51 51 ILE C C 51 176.140 177.602 -1.462 2
1 635 . 1 1 A 51 51 ILE CA C 51 63.450 64.714 -1.264 2
1 636 . 1 1 A 51 51 ILE CB C 51 37.970 37.763 0.207 2
1 640 . 1 1 A 52 52 HIS H H 52 7.820 7.984 -0.164 2
1 641 . 1 1 A 52 52 HIS HA H 52 4.830 4.263 0.567 2
1 644 . 1 1 A 52 52 HIS C C 52 175.190 175.282 -0.092 2
1 645 . 1 1 A 52 52 HIS CA C 52 55.670 58.836 -3.166 2
1 646 . 1 1 A 52 52 HIS CB C 52 31.260 30.120 1.140 2
1 647 . 1 1 A 52 52 HIS N N 52 118.280 119.771 -1.491 2
1 648 . 1 1 A 53 53 GLY H H 53 7.590 7.351 0.239 2
1 649 . 1 1 A 53 53 GLY HA2 H 53 3.880 3.954 -0.073 2
1 650 . 1 1 A 53 53 GLY HA3 H 53 4.510 3.969 0.541 2
1 651 . 1 1 A 53 53 GLY C C 53 173.360 171.500 1.860 2
1 652 . 1 1 A 53 53 GLY CA C 53 44.510 45.807 -1.297 2
1 653 . 1 1 A 53 53 GLY N N 53 108.490 104.685 3.805 2
1 654 . 1 1 A 54 54 GLU H H 54 8.710 8.504 0.206 2
1 655 . 1 1 A 54 54 GLU HA H 54 5.050 4.857 0.193 2
1 660 . 1 1 A 54 54 GLU C C 54 175.890 175.394 0.496 2
1 661 . 1 1 A 54 54 GLU CA C 54 55.980 55.596 0.384 2
1 662 . 1 1 A 54 54 GLU CB C 54 31.610 31.627 -0.017 2
1 664 . 1 1 A 54 54 GLU N N 54 121.850 120.674 1.176 2
1 665 . 1 1 A 55 55 LYS H H 55 8.930 9.320 -0.390 2
1 666 . 1 1 A 55 55 LYS HA H 55 4.670 5.121 -0.451 2
1 675 . 1 1 A 55 55 LYS C C 55 174.630 174.555 0.075 2
1 676 . 1 1 A 55 55 LYS CA C 55 54.750 54.718 0.032 2
1 677 . 1 1 A 55 55 LYS CB C 55 35.910 35.997 -0.087 2
1 681 . 1 1 A 55 55 LYS N N 55 123.380 124.571 -1.191 2
1 682 . 1 1 A 56 56 GLN H H 56 8.670 8.861 -0.191 2
1 683 . 1 1 A 56 56 GLN HA H 56 4.820 5.064 -0.244 2
1 688 . 1 1 A 56 56 GLN C C 56 175.780 174.700 1.080 2
1 689 . 1 1 A 56 56 GLN CA C 56 55.500 54.356 1.144 2
1 690 . 1 1 A 56 56 GLN CB C 56 29.470 31.616 -2.146 2
1 692 . 1 1 A 56 56 GLN N N 56 122.950 124.216 -1.266 2
1 693 . 1 1 A 57 57 GLN H H 57 9.210 8.751 0.459 2
1 694 . 1 1 A 57 57 GLN HA H 57 4.740 5.013 -0.273 2
1 701 . 1 1 A 57 57 GLN C C 57 174.100 174.399 -0.299 2
1 702 . 1 1 A 57 57 GLN CA C 57 54.760 54.486 0.274 2
1 703 . 1 1 A 57 57 GLN CB C 57 32.670 32.313 0.357 2
1 705 . 1 1 A 57 57 GLN N N 57 125.030 124.953 0.077 2
1 707 . 1 1 A 58 58 ASP H H 58 8.570 8.868 -0.299 2
1 708 . 1 1 A 58 58 ASP HA H 58 4.860 5.205 -0.345 2
1 711 . 1 1 A 58 58 ASP C C 58 173.690 175.773 -2.083 2
1 712 . 1 1 A 58 58 ASP CA C 58 55.090 53.437 1.653 2
1 713 . 1 1 A 58 58 ASP CB C 58 42.120 43.058 -0.938 2
1 714 . 1 1 A 58 58 ASP N N 58 124.680 122.264 2.416 2
1 715 . 1 1 A 59 59 VAL H H 59 8.480 8.911 -0.431 2
1 716 . 1 1 A 59 59 VAL HA H 59 4.610 4.760 -0.150 2
1 724 . 1 1 A 59 59 VAL C C 59 174.600 174.695 -0.095 2
1 725 . 1 1 A 59 59 VAL CA C 59 61.130 61.274 -0.144 2
1 726 . 1 1 A 59 59 VAL CB C 59 34.250 33.142 1.108 2
1 729 . 1 1 A 59 59 VAL N N 59 121.270 121.558 -0.287 2
1 730 . 1 1 A 60 60 TYR H H 60 9.390 9.089 0.301 2
1 731 . 1 1 A 60 60 TYR HA H 60 4.800 5.069 -0.269 2
1 738 . 1 1 A 60 60 TYR C C 60 173.840 174.211 -0.371 2
1 739 . 1 1 A 60 60 TYR CA C 60 56.840 56.680 0.160 2
1 740 . 1 1 A 60 60 TYR CB C 60 41.190 42.028 -0.838 2
1 745 . 1 1 A 60 60 TYR N N 60 125.760 125.276 0.484 2
1 746 . 1 1 A 61 61 TYR H H 61 9.300 8.992 0.308 2
1 747 . 1 1 A 61 61 TYR HA H 61 5.370 5.215 0.155 2
1 754 . 1 1 A 61 61 TYR C C 61 174.300 174.318 -0.018 2
1 755 . 1 1 A 61 61 TYR CA C 61 57.490 57.050 0.440 2
1 756 . 1 1 A 61 61 TYR CB C 61 40.900 40.151 0.749 2
1 761 . 1 1 A 61 61 TYR N N 61 122.890 125.101 -2.211 2
1 762 . 1 1 A 62 62 LEU H H 62 8.770 8.842 -0.072 2
1 763 . 1 1 A 62 62 LEU HA H 62 4.780 5.135 -0.355 2
1 773 . 1 1 A 62 62 LEU C C 62 174.070 175.898 -1.828 2
1 774 . 1 1 A 62 62 LEU CA C 62 53.760 53.350 0.410 2
1 775 . 1 1 A 62 62 LEU CB C 62 49.020 45.809 3.211 2
1 779 . 1 1 A 62 62 LEU N N 62 129.700 129.026 0.674 2
1 780 . 1 1 A 63 63 THR H H 63 7.960 8.735 -0.775 2
1 781 . 1 1 A 63 63 THR HA H 63 5.410 5.081 0.329 2
1 786 . 1 1 A 63 63 THR C C 63 173.860 174.115 -0.255 2
1 787 . 1 1 A 63 63 THR CA C 63 60.850 61.224 -0.374 2
1 788 . 1 1 A 63 63 THR CB C 63 69.790 70.617 -0.827 2
1 790 . 1 1 A 63 63 THR N N 63 118.460 116.024 2.436 2
1 791 . 1 1 A 64 64 PHE H H 64 9.270 8.512 0.758 2
1 792 . 1 1 A 64 64 PHE HA H 64 5.100 5.593 -0.493 2
1 800 . 1 1 A 64 64 PHE C C 64 172.280 172.612 -0.332 2
1 801 . 1 1 A 64 64 PHE CA C 64 56.020 55.257 0.763 2
1 802 . 1 1 A 64 64 PHE CB C 64 38.350 42.135 -3.785 2
1 808 . 1 1 A 64 64 PHE N N 64 123.960 122.974 0.986 2
1 809 . 1 1 A 65 65 LYS H H 65 8.750 8.881 -0.131 2
1 810 . 1 1 A 65 65 LYS HA H 65 5.500 5.000 0.500 2
1 819 . 1 1 A 65 65 LYS C C 65 176.300 175.717 0.583 2
1 820 . 1 1 A 65 65 LYS CA C 65 54.900 55.815 -0.915 2
1 821 . 1 1 A 65 65 LYS CB C 65 37.730 33.766 3.964 2
1 825 . 1 1 A 65 65 LYS N N 65 117.930 119.786 -1.856 2
1 826 . 1 1 A 66 66 VAL H H 66 8.840 9.401 -0.561 2
1 827 . 1 1 A 66 66 VAL HA H 66 4.520 4.615 -0.095 2
1 835 . 1 1 A 66 66 VAL C C 66 175.550 175.978 -0.428 2
1 836 . 1 1 A 66 66 VAL CA C 66 62.130 61.283 0.846 2
1 837 . 1 1 A 66 66 VAL CB C 66 35.100 32.417 2.683 2
1 840 . 1 1 A 66 66 VAL N N 66 119.330 125.052 -5.722 2
1 841 . 1 1 A 67 67 GLN H H 67 9.690 9.363 0.327 2
1 842 . 1 1 A 67 67 GLN HA H 67 4.050 4.082 -0.032 2
1 849 . 1 1 A 67 67 GLN C C 67 176.300 176.231 0.069 2
1 850 . 1 1 A 67 67 GLN CA C 67 56.720 57.172 -0.452 2
1 851 . 1 1 A 67 67 GLN CB C 67 28.230 26.836 1.394 2
1 853 . 1 1 A 67 67 GLN N N 67 125.930 128.756 -2.826 2
1 855 . 1 1 A 68 68 GLY H H 68 8.980 8.695 0.285 2
1 856 . 1 1 A 68 68 GLY HA2 H 68 3.510 3.843 -0.333 2
1 857 . 1 1 A 68 68 GLY HA3 H 68 4.140 3.851 0.289 2
1 858 . 1 1 A 68 68 GLY C C 68 173.410 173.792 -0.382 2
1 859 . 1 1 A 68 68 GLY CA C 68 45.460 45.741 -0.281 2
1 860 . 1 1 A 68 68 GLY N N 68 103.510 104.467 -0.957 2
1 861 . 1 1 A 69 69 ARG H H 69 8.070 7.810 0.260 2
1 862 . 1 1 A 69 69 ARG HA H 69 4.400 4.578 -0.178 2
1 869 . 1 1 A 69 69 ARG C C 69 174.880 174.781 0.099 2
1 870 . 1 1 A 69 69 ARG CA C 69 54.730 54.303 0.427 2
1 871 . 1 1 A 69 69 ARG CB C 69 31.520 32.456 -0.935 2
1 874 . 1 1 A 69 69 ARG N N 69 122.680 119.857 2.823 2
1 875 . 1 1 A 70 70 LYS H H 70 8.390 8.633 -0.243 2
1 876 . 1 1 A 70 70 LYS HA H 70 4.220 4.325 -0.105 2
1 885 . 1 1 A 70 70 LYS C C 70 175.330 174.920 0.410 2
1 886 . 1 1 A 70 70 LYS CA C 70 57.860 56.822 1.038 2
1 887 . 1 1 A 70 70 LYS CB C 70 32.790 32.752 0.038 2
1 891 . 1 1 A 70 70 LYS N N 70 123.590 126.704 -3.114 2
1 892 . 1 1 A 71 71 VAL H H 71 9.050 8.414 0.636 2
1 893 . 1 1 A 71 71 VAL HA H 71 4.140 4.571 -0.431 2
1 901 . 1 1 A 71 71 VAL C C 71 173.310 174.071 -0.761 2
1 902 . 1 1 A 71 71 VAL CA C 71 61.370 60.539 0.831 2
1 903 . 1 1 A 71 71 VAL CB C 71 34.610 35.415 -0.805 2
1 906 . 1 1 A 71 71 VAL N N 71 128.340 126.848 1.492 2
1 907 . 1 1 A 72 72 GLU H H 72 8.150 8.714 -0.564 2
1 908 . 1 1 A 72 72 GLU HA H 72 4.970 5.008 -0.038 2
1 913 . 1 1 A 72 72 GLU C C 72 174.910 175.434 -0.524 2
1 914 . 1 1 A 72 72 GLU CA C 72 54.490 54.849 -0.359 2
1 915 . 1 1 A 72 72 GLU CB C 72 31.410 32.601 -1.191 2
1 917 . 1 1 A 72 72 GLU N N 72 124.430 125.485 -1.055 2
1 918 . 1 1 A 73 73 ALA H H 73 8.420 8.078 0.342 2
1 919 . 1 1 A 73 73 ALA HA H 73 4.770 4.716 0.054 2
1 923 . 1 1 A 73 73 ALA C C 73 175.140 175.938 -0.798 2
1 924 . 1 1 A 73 73 ALA CA C 73 51.050 50.891 0.159 2
1 925 . 1 1 A 73 73 ALA CB C 73 23.060 23.099 -0.039 2
1 926 . 1 1 A 73 73 ALA N N 73 124.790 122.964 1.826 2
1 927 . 1 1 A 74 74 GLU H H 74 8.520 8.467 0.053 2
1 928 . 1 1 A 74 74 GLU HA H 74 5.260 5.194 0.066 2
1 933 . 1 1 A 74 74 GLU C C 74 176.570 176.303 0.267 2
1 934 . 1 1 A 74 74 GLU CA C 74 55.770 56.868 -1.098 2
1 935 . 1 1 A 74 74 GLU CB C 74 29.840 30.483 -0.643 2
1 937 . 1 1 A 74 74 GLU N N 74 120.480 118.951 1.529 2
1 938 . 1 1 A 75 75 VAL H H 75 9.240 9.664 -0.424 2
1 939 . 1 1 A 75 75 VAL HA H 75 5.730 5.274 0.456 2
1 947 . 1 1 A 75 75 VAL C C 75 174.700 174.050 0.650 2
1 948 . 1 1 A 75 75 VAL CA C 75 57.950 59.353 -1.403 2
1 949 . 1 1 A 75 75 VAL CB C 75 36.540 35.680 0.860 2
1 952 . 1 1 A 75 75 VAL N N 75 113.070 119.336 -6.266 2
1 953 . 1 1 A 76 76 LEU H H 76 8.420 8.582 -0.162 2
1 954 . 1 1 A 76 76 LEU HA H 76 5.110 5.117 -0.007 2
1 964 . 1 1 A 76 76 LEU C C 76 176.970 175.818 1.152 2
1 965 . 1 1 A 76 76 LEU CA C 76 52.370 53.299 -0.929 2
1 966 . 1 1 A 76 76 LEU CB C 76 45.230 45.107 0.123 2
1 970 . 1 1 A 76 76 LEU N N 76 117.790 124.927 -7.138 2
1 971 . 1 1 A 77 77 ALA H H 77 8.930 8.545 0.385 2
1 972 . 1 1 A 77 77 ALA HA H 77 4.500 4.824 -0.324 2
1 976 . 1 1 A 77 77 ALA C C 77 177.950 176.757 1.193 2
1 977 . 1 1 A 77 77 ALA CA C 77 52.090 52.028 0.062 2
1 978 . 1 1 A 77 77 ALA CB C 77 20.280 19.490 0.790 2
1 979 . 1 1 A 77 77 ALA N N 77 122.210 127.865 -5.655 2
1 980 . 1 1 A 78 78 SER H H 78 8.380 8.493 -0.113 2
1 981 . 1 1 A 78 78 SER HA H 78 5.010 4.931 0.079 2
1 984 . 1 1 A 78 78 SER CA C 78 54.230 55.365 -1.135 2
1 985 . 1 1 A 78 78 SER CB C 78 66.050 66.037 0.013 2
1 986 . 1 1 A 78 78 SER N N 78 117.830 116.559 1.271 2
1 987 . 1 1 A 79 79 PRO HA H 79 4.660 4.471 0.190 2
1 994 . 1 1 A 79 79 PRO C C 79 176.150 175.947 0.203 2
1 995 . 1 1 A 79 79 PRO CA C 79 62.860 63.347 -0.487 2
1 996 . 1 1 A 79 79 PRO CB C 79 31.230 31.633 -0.403 2
1 999 . 1 1 A 80 80 TYR H H 80 7.380 7.261 0.119 2
1 1000 . 1 1 A 80 80 TYR HA H 80 4.710 4.705 0.005 2
1 1007 . 1 1 A 80 80 TYR C C 80 175.550 175.712 -0.162 2
1 1008 . 1 1 A 80 80 TYR CA C 80 56.150 57.728 -1.578 2
1 1009 . 1 1 A 80 80 TYR CB C 80 38.490 39.251 -0.761 2
1 1014 . 1 1 A 80 80 TYR N N 80 120.860 120.393 0.467 2
1 1015 . 1 1 A 81 81 ASP H H 81 8.290 9.231 -0.941 2
1 1016 . 1 1 A 81 81 ASP HA H 81 4.640 4.998 -0.358 2
1 1019 . 1 1 A 81 81 ASP C C 81 175.290 175.130 0.160 2
1 1020 . 1 1 A 81 81 ASP CA C 81 53.560 53.716 -0.156 2
1 1021 . 1 1 A 81 81 ASP CB C 81 40.650 41.549 -0.899 2
1 1022 . 1 1 A 81 81 ASP N N 81 115.600 119.701 -4.102 2
1 1023 . 1 1 A 82 82 TYR H H 82 6.680 7.624 -0.944 2
1 1024 . 1 1 A 82 82 TYR HA H 82 5.160 5.123 0.037 2
1 1031 . 1 1 A 82 82 TYR C C 82 173.930 172.945 0.985 2
1 1032 . 1 1 A 82 82 TYR CA C 82 53.190 55.917 -2.727 2
1 1033 . 1 1 A 82 82 TYR CB C 82 40.820 41.460 -0.640 2
1 1038 . 1 1 A 82 82 TYR N N 82 116.100 116.413 -0.313 2
1 1039 . 1 1 A 83 83 ILE H H 83 8.900 8.660 0.240 2
1 1040 . 1 1 A 83 83 ILE HA H 83 4.480 4.548 -0.068 2
1 1050 . 1 1 A 83 83 ILE C C 83 175.160 174.813 0.347 2
1 1051 . 1 1 A 83 83 ILE CA C 83 60.940 59.560 1.380 2
1 1052 . 1 1 A 83 83 ILE CB C 83 40.980 41.376 -0.396 2
1 1056 . 1 1 A 83 83 ILE N N 83 119.050 119.279 -0.229 2
1 1057 . 1 1 A 84 84 LEU H H 84 8.740 9.285 -0.545 2
1 1058 . 1 1 A 84 84 LEU HA H 84 5.140 5.181 -0.041 2
1 1068 . 1 1 A 84 84 LEU C C 84 174.920 175.546 -0.626 2
1 1069 . 1 1 A 84 84 LEU CA C 84 53.800 53.686 0.114 2
1 1070 . 1 1 A 84 84 LEU CB C 84 44.100 43.376 0.724 2
1 1074 . 1 1 A 84 84 LEU N N 84 130.660 126.971 3.689 2
1 1075 . 1 1 A 85 85 LEU H H 85 9.010 9.084 -0.074 2
1 1076 . 1 1 A 85 85 LEU HA H 85 4.470 4.916 -0.446 2
1 1086 . 1 1 A 85 85 LEU C C 85 174.660 175.727 -1.067 2
1 1087 . 1 1 A 85 85 LEU CA C 85 54.080 53.426 0.654 2
1 1088 . 1 1 A 85 85 LEU CB C 85 44.350 44.260 0.090 2
1 1092 . 1 1 A 85 85 LEU N N 85 125.210 124.617 0.593 2
1 1093 . 1 1 A 86 86 ASN H H 86 8.370 8.672 -0.302 2
1 1094 . 1 1 A 86 86 ASN HA H 86 4.680 4.885 -0.205 2
1 1099 . 1 1 A 86 86 ASN CA C 86 49.780 50.371 -0.591 2
1 1100 . 1 1 A 86 86 ASN CB C 86 38.890 40.168 -1.278 2
1 1101 . 1 1 A 86 86 ASN N N 86 122.970 121.984 0.986 2
1 1103 . 1 1 A 87 87 PRO HA H 87 3.600 4.591 -0.992 2
1 1110 . 1 1 A 87 87 PRO C C 87 178.740 178.215 0.525 2
1 1111 . 1 1 A 87 87 PRO CA C 87 65.050 64.694 0.356 2
1 1112 . 1 1 A 87 87 PRO CB C 87 33.160 32.076 1.084 2
1 1115 . 1 1 A 88 88 SER H H 88 7.580 8.939 -1.359 2
1 1116 . 1 1 A 88 88 SER HA H 88 4.100 4.243 -0.143 2
1 1119 . 1 1 A 88 88 SER C C 88 175.480 176.314 -0.834 2
1 1120 . 1 1 A 88 88 SER CA C 88 60.730 61.064 -0.334 2
1 1121 . 1 1 A 88 88 SER CB C 88 62.870 63.063 -0.193 2
1 1122 . 1 1 A 88 88 SER N N 88 109.530 113.422 -3.892 2
1 1123 . 1 1 A 89 89 ASP H H 89 8.170 8.273 -0.103 2
1 1124 . 1 1 A 89 89 ASP HA H 89 4.770 4.536 0.234 2
1 1127 . 1 1 A 89 89 ASP C C 89 175.730 176.883 -1.153 2
1 1128 . 1 1 A 89 89 ASP CA C 89 56.030 56.603 -0.573 2
1 1129 . 1 1 A 89 89 ASP CB C 89 41.380 40.974 0.406 2
1 1130 . 1 1 A 89 89 ASP N N 89 118.600 120.032 -1.432 2
1 1131 . 1 1 A 90 90 VAL H H 90 7.050 7.262 -0.212 2
1 1132 . 1 1 A 90 90 VAL HA H 90 4.050 2.949 1.101 2
1 1140 . 1 1 A 90 90 VAL CA C 90 56.960 58.412 -1.452 2
1 1141 . 1 1 A 90 90 VAL CB C 90 31.710 31.226 0.484 2
1 1144 . 1 1 A 90 90 VAL N N 90 109.580 113.351 -3.771 2
1 1145 . 1 1 A 91 91 PRO HA H 91 4.250 4.383 -0.134 2
1 1152 . 1 1 A 91 91 PRO C C 91 176.870 177.786 -0.916 2
1 1153 . 1 1 A 91 91 PRO CA C 91 65.190 64.472 0.718 2
1 1154 . 1 1 A 91 91 PRO CB C 91 31.470 31.848 -0.378 2
1 1157 . 1 1 A 92 92 TRP H H 92 6.720 7.793 -1.073 2
1 1158 . 1 1 A 92 92 TRP HA H 92 4.570 4.452 0.118 2
1 1167 . 1 1 A 92 92 TRP C C 92 176.630 178.341 -1.711 2
1 1168 . 1 1 A 92 92 TRP CA C 92 56.910 59.815 -2.905 2
1 1169 . 1 1 A 92 92 TRP CB C 92 27.990 28.337 -0.347 2
1 1175 . 1 1 A 92 92 TRP N N 92 115.110 117.751 -2.642 2
1 1177 . 1 1 A 93 93 LEU H H 93 7.150 7.294 -0.144 2
1 1178 . 1 1 A 93 93 LEU HA H 93 4.220 3.943 0.277 2
1 1188 . 1 1 A 93 93 LEU C C 93 176.210 177.381 -1.171 2
1 1189 . 1 1 A 93 93 LEU CA C 93 55.350 57.612 -2.262 2
1 1190 . 1 1 A 93 93 LEU CB C 93 42.190 41.329 0.861 2
1 1194 . 1 1 A 93 93 LEU N N 93 123.090 122.975 0.115 2
1 1195 . 1 1 A 94 94 MET H H 94 7.730 7.821 -0.091 2
1 1196 . 1 1 A 94 94 MET HA H 94 4.340 4.282 0.058 2
1 1201 . 1 1 A 94 94 MET C C 94 175.550 176.189 -0.639 2
1 1202 . 1 1 A 94 94 MET CA C 94 55.120 56.094 -0.974 2
1 1203 . 1 1 A 94 94 MET CB C 94 32.630 32.705 -0.075 2
1 1205 . 1 1 A 94 94 MET N N 94 118.250 116.629 1.621 2
1 1206 . 1 1 A 95 95 LYS H H 95 7.950 8.128 -0.178 2
1 1207 . 1 1 A 95 95 LYS HA H 95 4.260 4.424 -0.164 2
1 1210 . 1 1 A 95 95 LYS C C 95 176.130 176.125 0.005 2
1 1211 . 1 1 A 95 95 LYS CA C 95 56.150 56.253 -0.103 2
1 1212 . 1 1 A 95 95 LYS CB C 95 33.010 33.565 -0.555 2
1 1213 . 1 1 A 95 95 LYS N N 95 121.650 121.080 0.570 2
1 1214 . 1 1 A 96 96 LYS H H 96 8.260 8.464 -0.204 2
1 1215 . 1 1 A 96 96 LYS N N 96 123.570 121.940 1.630 2
1 1216 . 1 1 A 97 97 PRO HA H 97 4.530 4.536 -0.006 2
1 1219 . 1 1 A 97 97 PRO C C 97 176.830 176.582 0.248 2
1 1220 . 1 1 A 97 97 PRO CA C 97 63.180 63.196 -0.016 2
1 1221 . 1 1 A 97 97 PRO CB C 97 32.050 32.300 -0.250 2
stop_
save_