data_10246_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10246
_Entry.PDB_ID 1X6H
_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 1 . 1 1 1 A 8 8 ARG HA H 8 4.432 4.092 0.340 1
1 7 . 1 1 1 A 8 8 ARG CA C 8 56.069 58.988 -2.919 1
1 8 . 1 1 1 A 8 8 ARG CB C 8 30.974 30.069 0.905 1
1 14 . 1 1 1 A 9 9 THR CB C 9 69.816 69.664 0.152 1
1 16 . 1 1 1 A 10 10 HIS HA H 10 4.730 4.809 -0.079 1
1 21 . 1 1 1 A 10 10 HIS CA C 10 56.345 56.271 0.074 1
1 22 . 1 1 1 A 10 10 HIS CB C 10 31.058 32.403 -1.345 1
1 28 . 1 1 1 A 11 11 THR CB C 11 69.816 69.554 0.262 1
1 30 . 1 1 1 A 12 12 GLY HA2 H 12 3.978 4.021 -0.043 1
1 31 . 1 1 1 A 12 12 GLY HA3 H 12 3.978 4.075 -0.097 1
1 32 . 1 1 1 A 12 12 GLY CA C 12 45.442 44.602 0.840 1
1 33 . 1 1 1 A 13 13 GLU H H 13 8.243 8.515 -0.272 1
1 34 . 1 1 1 A 13 13 GLU HA H 13 4.235 4.095 0.140 1
1 39 . 1 1 1 A 13 13 GLU CA C 13 56.898 57.297 -0.399 1
1 40 . 1 1 1 A 13 13 GLU CB C 13 30.495 29.759 0.736 1
1 42 . 1 1 1 A 13 13 GLU N N 13 120.364 125.296 -4.932 1
1 43 . 1 1 1 A 14 14 LYS H H 14 8.276 8.331 -0.055 1
1 44 . 1 1 1 A 14 14 LYS HA H 14 4.528 4.236 0.292 1
1 53 . 1 1 1 A 14 14 LYS CA C 14 54.009 55.192 -1.183 1
1 54 . 1 1 1 A 14 14 LYS CB C 14 32.667 32.660 0.007 1
1 58 . 1 1 1 A 14 14 LYS N N 14 121.981 126.210 -4.229 1
1 59 . 1 1 1 A 15 15 PRO HA H 15 4.347 4.372 -0.025 1
1 66 . 1 1 1 A 15 15 PRO CA C 15 63.237 64.992 -1.755 1
1 67 . 1 1 1 A 15 15 PRO CB C 15 32.365 31.758 0.607 1
1 70 . 1 1 1 A 16 16 TYR H H 16 8.234 7.564 0.670 1
1 71 . 1 1 1 A 16 16 TYR HA H 16 4.508 4.737 -0.229 1
1 78 . 1 1 1 A 16 16 TYR C C 16 174.453 174.658 -0.205 1
1 79 . 1 1 1 A 16 16 TYR CA C 16 58.076 57.141 0.935 1
1 80 . 1 1 1 A 16 16 TYR CB C 16 38.346 38.391 -0.045 1
1 85 . 1 1 1 A 16 16 TYR N N 16 118.751 117.924 0.827 1
1 86 . 1 1 1 A 17 17 ALA H H 17 8.567 9.073 -0.506 1
1 87 . 1 1 1 A 17 17 ALA HA H 17 4.754 5.250 -0.496 1
1 91 . 1 1 1 A 17 17 ALA C C 17 176.249 176.869 -0.620 1
1 92 . 1 1 1 A 17 17 ALA CA C 17 51.274 50.545 0.729 1
1 93 . 1 1 1 A 17 17 ALA CB C 17 20.625 20.946 -0.321 1
1 94 . 1 1 1 A 17 17 ALA N N 17 127.897 127.904 -0.007 1
1 95 . 1 1 1 A 18 18 CYS H H 18 8.464 8.863 -0.399 1
1 96 . 1 1 1 A 18 18 CYS HA H 18 4.538 4.471 0.067 1
1 99 . 1 1 1 A 18 18 CYS C C 18 175.739 175.440 0.299 1
1 100 . 1 1 1 A 18 18 CYS CA C 18 60.966 60.120 0.846 1
1 101 . 1 1 1 A 18 18 CYS CB C 18 29.435 28.691 0.744 1
1 102 . 1 1 1 A 18 18 CYS N N 18 125.366 123.481 1.885 1
1 103 . 1 1 1 A 19 19 SER H H 19 8.439 9.164 -0.725 1
1 104 . 1 1 1 A 19 19 SER HA H 19 4.426 4.505 -0.079 1
1 107 . 1 1 1 A 19 19 SER C C 19 175.890 176.809 -0.919 1
1 108 . 1 1 1 A 19 19 SER CA C 19 60.085 61.650 -1.565 1
1 109 . 1 1 1 A 19 19 SER CB C 19 64.097 63.669 0.428 1
1 110 . 1 1 1 A 19 19 SER N N 19 121.912 122.400 -0.488 1
1 111 . 1 1 1 A 20 20 HIS H H 20 9.949 8.133 1.816 1
1 112 . 1 1 1 A 20 20 HIS HA H 20 4.579 4.420 0.159 1
1 117 . 1 1 1 A 20 20 HIS C C 20 174.670 175.590 -0.920 1
1 118 . 1 1 1 A 20 20 HIS CA C 20 57.354 59.121 -1.767 1
1 119 . 1 1 1 A 20 20 HIS CB C 20 30.787 29.262 1.525 1
1 122 . 1 1 1 A 20 20 HIS N N 20 126.154 118.812 7.342 1
1 123 . 1 1 1 A 21 21 CYS H H 21 7.972 8.084 -0.112 1
1 124 . 1 1 1 A 21 21 CYS HA H 21 4.947 4.932 0.015 1
1 127 . 1 1 1 A 21 21 CYS C C 21 172.879 173.639 -0.760 1
1 128 . 1 1 1 A 21 21 CYS CA C 21 58.891 56.703 2.188 1
1 129 . 1 1 1 A 21 21 CYS CB C 21 29.766 30.701 -0.935 1
1 130 . 1 1 1 A 21 21 CYS N N 21 119.638 115.021 4.617 1
1 131 . 1 1 1 A 22 22 ASP H H 22 8.167 8.742 -0.575 1
1 132 . 1 1 1 A 22 22 ASP HA H 22 4.668 4.796 -0.128 1
1 135 . 1 1 1 A 22 22 ASP C C 22 176.857 174.782 2.075 1
1 136 . 1 1 1 A 22 22 ASP CA C 22 54.587 53.040 1.547 1
1 137 . 1 1 1 A 22 22 ASP CB C 22 40.758 39.816 0.942 1
1 138 . 1 1 1 A 22 22 ASP N N 22 115.180 122.188 -7.008 1
1 139 . 1 1 1 A 23 23 LYS H H 23 8.407 7.629 0.778 1
1 140 . 1 1 1 A 23 23 LYS HA H 23 4.085 4.714 -0.629 1
1 148 . 1 1 1 A 23 23 LYS C C 23 175.732 175.928 -0.196 1
1 149 . 1 1 1 A 23 23 LYS CA C 23 57.537 54.459 3.078 1
1 150 . 1 1 1 A 23 23 LYS CB C 23 33.593 35.244 -1.651 1
1 154 . 1 1 1 A 23 23 LYS N N 23 122.302 121.507 0.795 1
1 155 . 1 1 1 A 24 24 THR H H 24 7.462 8.418 -0.956 1
1 156 . 1 1 1 A 24 24 THR HA H 24 5.018 5.447 -0.429 1
1 161 . 1 1 1 A 24 24 THR C C 24 173.047 172.583 0.464 1
1 162 . 1 1 1 A 24 24 THR CA C 24 59.500 58.997 0.503 1
1 163 . 1 1 1 A 24 24 THR CB C 24 71.795 72.051 -0.256 1
1 165 . 1 1 1 A 24 24 THR N N 24 110.405 111.483 -1.078 1
1 166 . 1 1 1 A 25 25 PHE H H 25 8.750 8.908 -0.158 1
1 167 . 1 1 1 A 25 25 PHE HA H 25 4.886 4.932 -0.046 1
1 175 . 1 1 1 A 25 25 PHE C C 25 175.982 175.793 0.189 1
1 176 . 1 1 1 A 25 25 PHE CA C 25 57.301 56.477 0.824 1
1 177 . 1 1 1 A 25 25 PHE CB C 25 44.782 43.408 1.374 1
1 183 . 1 1 1 A 25 25 PHE N N 25 116.161 117.893 -1.732 1
1 184 . 1 1 1 A 26 26 ARG HA H 26 4.550 4.403 0.147 1
1 191 . 1 1 1 A 26 26 ARG C C 26 175.820 176.661 -0.841 1
1 192 . 1 1 1 A 26 26 ARG CA C 26 57.830 58.403 -0.573 1
1 193 . 1 1 1 A 26 26 ARG CB C 26 31.465 31.004 0.461 1
1 196 . 1 1 1 A 27 27 GLN H H 27 7.052 7.816 -0.764 1
1 197 . 1 1 1 A 27 27 GLN HA H 27 4.820 4.372 0.448 1
1 204 . 1 1 1 A 27 27 GLN C C 27 175.929 175.878 0.051 1
1 205 . 1 1 1 A 27 27 GLN CA C 27 53.971 54.658 -0.687 1
1 206 . 1 1 1 A 27 27 GLN CB C 27 32.968 30.214 2.754 1
1 208 . 1 1 1 A 27 27 GLN N N 27 111.833 117.497 -5.664 1
1 210 . 1 1 1 A 28 28 LYS H H 28 8.616 8.271 0.345 1
1 211 . 1 1 1 A 28 28 LYS HA H 28 3.013 3.131 -0.118 1
1 220 . 1 1 1 A 28 28 LYS C C 28 177.891 177.973 -0.082 1
1 221 . 1 1 1 A 28 28 LYS CA C 28 59.351 60.039 -0.688 1
1 222 . 1 1 1 A 28 28 LYS CB C 28 31.901 31.807 0.094 1
1 226 . 1 1 1 A 28 28 LYS N N 28 127.969 124.455 3.514 1
1 227 . 1 1 1 A 29 29 GLN H H 29 9.039 7.766 1.273 1
1 228 . 1 1 1 A 29 29 GLN HA H 29 4.110 3.908 0.202 1
1 235 . 1 1 1 A 29 29 GLN C C 29 178.275 178.241 0.034 1
1 236 . 1 1 1 A 29 29 GLN CA C 29 59.073 58.604 0.469 1
1 237 . 1 1 1 A 29 29 GLN CB C 29 27.673 28.334 -0.661 1
1 239 . 1 1 1 A 29 29 GLN N N 29 116.426 118.676 -2.250 1
1 241 . 1 1 1 A 30 30 LEU H H 30 6.687 7.674 -0.987 1
1 242 . 1 1 1 A 30 30 LEU HA H 30 4.105 3.829 0.276 1
1 252 . 1 1 1 A 30 30 LEU C C 30 179.455 178.713 0.742 1
1 253 . 1 1 1 A 30 30 LEU CA C 30 56.878 57.449 -0.571 1
1 254 . 1 1 1 A 30 30 LEU CB C 30 41.552 41.739 -0.187 1
1 258 . 1 1 1 A 30 30 LEU N N 30 116.469 119.483 -3.014 1
1 259 . 1 1 1 A 31 31 LEU H H 31 6.875 7.678 -0.803 1
1 260 . 1 1 1 A 31 31 LEU HA H 31 3.174 2.788 0.386 1
1 270 . 1 1 1 A 31 31 LEU C C 31 177.599 177.668 -0.069 1
1 271 . 1 1 1 A 31 31 LEU CA C 31 57.829 56.773 1.056 1
1 272 . 1 1 1 A 31 31 LEU CB C 31 39.945 41.061 -1.116 1
1 276 . 1 1 1 A 31 31 LEU N N 31 122.863 119.250 3.613 1
1 277 . 1 1 1 A 32 32 ASP H H 32 8.429 7.956 0.473 1
1 278 . 1 1 1 A 32 32 ASP HA H 32 4.356 4.346 0.010 1
1 281 . 1 1 1 A 32 32 ASP C C 32 179.142 177.945 1.197 1
1 282 . 1 1 1 A 32 32 ASP CA C 32 57.830 56.901 0.929 1
1 283 . 1 1 1 A 32 32 ASP CB C 32 39.978 41.050 -1.072 1
1 284 . 1 1 1 A 32 32 ASP N N 32 120.350 118.963 1.387 1
1 285 . 1 1 1 A 33 33 MET H H 33 7.738 8.259 -0.521 1
1 286 . 1 1 1 A 33 33 MET HA H 33 4.167 3.817 0.350 1
1 294 . 1 1 1 A 33 33 MET C C 33 178.463 178.228 0.235 1
1 295 . 1 1 1 A 33 33 MET CA C 33 58.454 57.582 0.872 1
1 296 . 1 1 1 A 33 33 MET CB C 33 32.924 31.939 0.985 1
1 299 . 1 1 1 A 33 33 MET N N 33 118.109 117.911 0.198 1
1 300 . 1 1 1 A 34 34 HIS H H 34 7.632 7.809 -0.177 1
1 301 . 1 1 1 A 34 34 HIS HA H 34 4.396 4.210 0.186 1
1 306 . 1 1 1 A 34 34 HIS C C 34 176.258 176.846 -0.588 1
1 307 . 1 1 1 A 34 34 HIS CA C 34 59.715 59.286 0.429 1
1 308 . 1 1 1 A 34 34 HIS CB C 34 28.594 29.746 -1.152 1
1 311 . 1 1 1 A 34 34 HIS N N 34 120.242 120.833 -0.591 1
1 312 . 1 1 1 A 35 35 PHE H H 35 9.373 8.152 1.221 1
1 313 . 1 1 1 A 35 35 PHE HA H 35 3.726 3.898 -0.172 1
1 321 . 1 1 1 A 35 35 PHE C C 35 178.043 177.401 0.642 1
1 322 . 1 1 1 A 35 35 PHE CA C 35 62.870 61.096 1.774 1
1 323 . 1 1 1 A 35 35 PHE CB C 35 39.846 39.141 0.705 1
1 329 . 1 1 1 A 35 35 PHE N N 35 121.691 120.131 1.560 1
1 330 . 1 1 1 A 36 36 LYS H H 36 7.861 7.782 0.079 1
1 331 . 1 1 1 A 36 36 LYS HA H 36 4.139 4.425 -0.286 1
1 340 . 1 1 1 A 36 36 LYS C C 36 176.843 178.451 -1.608 1
1 341 . 1 1 1 A 36 36 LYS CA C 36 58.198 58.727 -0.529 1
1 342 . 1 1 1 A 36 36 LYS CB C 36 32.906 32.341 0.565 1
1 346 . 1 1 1 A 36 36 LYS N N 36 118.022 118.017 0.005 1
1 347 . 1 1 1 A 37 37 ARG H H 37 7.298 7.871 -0.573 1
1 348 . 1 1 1 A 37 37 ARG HA H 37 3.717 4.379 -0.662 1
1 355 . 1 1 1 A 37 37 ARG C C 37 177.872 178.316 -0.444 1
1 356 . 1 1 1 A 37 37 ARG CA C 37 57.874 58.198 -0.324 1
1 357 . 1 1 1 A 37 37 ARG CB C 37 30.619 30.901 -0.282 1
1 360 . 1 1 1 A 37 37 ARG N N 37 114.740 120.485 -5.745 1
1 361 . 1 1 1 A 38 38 TYR H H 38 7.779 8.356 -0.577 1
1 362 . 1 1 1 A 38 38 TYR HA H 38 4.146 4.159 -0.013 1
1 369 . 1 1 1 A 38 38 TYR C C 38 176.160 178.550 -2.390 1
1 370 . 1 1 1 A 38 38 TYR CA C 38 59.941 60.161 -0.220 1
1 371 . 1 1 1 A 38 38 TYR CB C 38 38.516 38.049 0.467 1
1 376 . 1 1 1 A 38 38 TYR N N 38 112.257 118.826 -6.569 1
1 377 . 1 1 1 A 39 39 HIS H H 39 7.679 7.709 -0.030 1
1 378 . 1 1 1 A 39 39 HIS HA H 39 4.943 4.423 0.520 1
1 383 . 1 1 1 A 39 39 HIS C C 39 173.845 174.900 -1.055 1
1 384 . 1 1 1 A 39 39 HIS CA C 39 54.045 58.316 -4.271 1
1 385 . 1 1 1 A 39 39 HIS CB C 39 29.490 28.949 0.541 1
1 388 . 1 1 1 A 39 39 HIS N N 39 114.679 116.557 -1.878 1
1 389 . 1 1 1 A 40 40 ASP H H 40 7.317 7.392 -0.075 1
1 390 . 1 1 1 A 40 40 ASP HA H 40 4.800 4.958 -0.158 1
1 393 . 1 1 1 A 40 40 ASP C C 40 175.035 175.045 -0.010 1
1 394 . 1 1 1 A 40 40 ASP CA C 40 51.697 50.594 1.103 1
1 395 . 1 1 1 A 40 40 ASP CB C 40 42.630 43.380 -0.750 1
1 396 . 1 1 1 A 40 40 ASP N N 40 119.125 117.598 1.527 1
1 397 . 1 1 1 A 41 41 PRO HA H 41 4.552 4.389 0.163 1
1 404 . 1 1 1 A 41 41 PRO C C 41 177.331 177.834 -0.503 1
1 405 . 1 1 1 A 41 41 PRO CA C 41 64.019 64.102 -0.083 1
1 406 . 1 1 1 A 41 41 PRO CB C 41 32.235 31.829 0.406 1
1 409 . 1 1 1 A 42 42 ASN H H 42 8.484 8.782 -0.298 1
1 410 . 1 1 1 A 42 42 ASN HA H 42 4.703 4.533 0.170 1
1 415 . 1 1 1 A 42 42 ASN C C 42 174.879 176.633 -1.754 1
1 416 . 1 1 1 A 42 42 ASN CA C 42 53.371 56.433 -3.062 1
1 417 . 1 1 1 A 42 42 ASN CB C 42 39.009 38.361 0.648 1
1 418 . 1 1 1 A 42 42 ASN N N 42 116.107 117.174 -1.067 1
1 420 . 1 1 1 A 43 43 PHE H H 43 7.741 7.740 0.001 1
1 421 . 1 1 1 A 43 43 PHE HA H 43 4.448 4.480 -0.032 1
1 429 . 1 1 1 A 43 43 PHE CA C 43 58.640 59.850 -1.210 1
1 430 . 1 1 1 A 43 43 PHE CB C 43 40.203 39.606 0.597 1
1 436 . 1 1 1 A 43 43 PHE N N 43 121.284 118.553 2.731 1
1 437 . 1 1 1 A 44 44 VAL H H 44 7.718 8.254 -0.536 1
1 438 . 1 1 1 A 44 44 VAL HA H 44 4.221 4.837 -0.616 1
1 446 . 1 1 1 A 44 44 VAL C C 44 173.190 173.390 -0.200 1
1 447 . 1 1 1 A 44 44 VAL CA C 44 59.177 58.366 0.811 1
1 448 . 1 1 1 A 44 44 VAL CB C 44 33.260 34.698 -1.438 1
1 451 . 1 1 1 A 44 44 VAL N N 44 126.832 126.700 0.132 1
1 452 . 1 1 1 A 45 45 PRO HA H 45 4.114 4.741 -0.627 1
1 459 . 1 1 1 A 45 45 PRO C C 45 176.031 177.541 -1.510 1
1 460 . 1 1 1 A 45 45 PRO CA C 45 62.732 62.207 0.525 1
1 461 . 1 1 1 A 45 45 PRO CB C 45 32.197 32.649 -0.452 1
1 464 . 1 1 1 A 46 46 ALA H H 46 8.199 8.377 -0.178 1
1 465 . 1 1 1 A 46 46 ALA HA H 46 4.161 4.625 -0.464 1
1 469 . 1 1 1 A 46 46 ALA C C 46 176.631 176.587 0.044 1
1 470 . 1 1 1 A 46 46 ALA CA C 46 52.105 51.942 0.163 1
1 471 . 1 1 1 A 46 46 ALA CB C 46 19.315 19.672 -0.357 1
1 472 . 1 1 1 A 46 46 ALA N N 46 124.122 125.009 -0.887 1
1 473 . 1 1 1 A 47 47 ALA H H 47 7.755 8.677 -0.922 1
1 474 . 1 1 1 A 47 47 ALA HA H 47 4.218 5.092 -0.874 1
1 478 . 1 1 1 A 47 47 ALA C C 47 176.322 175.604 0.718 1
1 479 . 1 1 1 A 47 47 ALA CA C 47 52.140 50.481 1.659 1
1 480 . 1 1 1 A 47 47 ALA CB C 47 20.283 19.943 0.340 1
1 481 . 1 1 1 A 47 47 ALA N N 47 121.689 126.751 -5.062 1
1 482 . 1 1 1 A 48 48 PHE H H 48 8.323 9.180 -0.857 1
1 483 . 1 1 1 A 48 48 PHE HA H 48 4.782 5.096 -0.314 1
1 491 . 1 1 1 A 48 48 PHE C C 48 174.258 174.545 -0.287 1
1 492 . 1 1 1 A 48 48 PHE CA C 48 57.108 56.771 0.337 1
1 493 . 1 1 1 A 48 48 PHE CB C 48 40.615 40.887 -0.272 1
1 499 . 1 1 1 A 48 48 PHE N N 48 118.583 122.018 -3.435 1
1 500 . 1 1 1 A 49 49 VAL H H 49 8.584 9.150 -0.566 1
1 501 . 1 1 1 A 49 49 VAL HA H 49 4.829 5.040 -0.211 1
1 509 . 1 1 1 A 49 49 VAL C C 49 175.667 175.771 -0.104 1
1 510 . 1 1 1 A 49 49 VAL CA C 49 60.508 61.300 -0.792 1
1 511 . 1 1 1 A 49 49 VAL CB C 49 35.158 33.440 1.718 1
1 514 . 1 1 1 A 49 49 VAL N N 49 123.555 123.792 -0.237 1
1 515 . 1 1 1 A 50 50 CYS H H 50 9.170 8.940 0.230 1
1 516 . 1 1 1 A 50 50 CYS HA H 50 4.593 4.590 0.003 1
1 519 . 1 1 1 A 50 50 CYS C C 50 177.661 175.623 2.038 1
1 520 . 1 1 1 A 50 50 CYS CA C 50 59.909 59.293 0.616 1
1 521 . 1 1 1 A 50 50 CYS CB C 50 30.835 28.857 1.978 1
1 522 . 1 1 1 A 50 50 CYS N N 50 128.866 127.318 1.548 1
1 523 . 1 1 1 A 51 51 SER H H 51 9.205 8.500 0.705 1
1 524 . 1 1 1 A 51 51 SER HA H 51 4.271 4.710 -0.439 1
1 527 . 1 1 1 A 51 51 SER C C 51 174.401 176.054 -1.653 1
1 528 . 1 1 1 A 51 51 SER CA C 51 60.890 58.291 2.599 1
1 529 . 1 1 1 A 51 51 SER CB C 51 63.231 64.950 -1.719 1
1 530 . 1 1 1 A 51 51 SER N N 51 128.162 117.464 10.698 1
1 531 . 1 1 1 A 52 52 LYS H H 52 9.118 8.067 1.051 1
1 532 . 1 1 1 A 52 52 LYS HA H 52 4.421 4.173 0.248 1
1 541 . 1 1 1 A 52 52 LYS C C 52 177.831 177.972 -0.141 1
1 542 . 1 1 1 A 52 52 LYS CA C 52 58.535 58.701 -0.166 1
1 543 . 1 1 1 A 52 52 LYS CB C 52 34.152 33.112 1.040 1
1 547 . 1 1 1 A 52 52 LYS N N 52 123.970 120.433 3.537 1
1 548 . 1 1 1 A 53 53 CYS H H 53 8.241 8.115 0.126 1
1 549 . 1 1 1 A 53 53 CYS HA H 53 4.999 4.690 0.309 1
1 552 . 1 1 1 A 53 53 CYS C C 53 176.529 175.579 0.950 1
1 553 . 1 1 1 A 53 53 CYS CA C 53 58.587 59.691 -1.104 1
1 554 . 1 1 1 A 53 53 CYS CB C 53 33.353 29.920 3.433 1
1 555 . 1 1 1 A 53 53 CYS N N 53 115.684 114.539 1.145 1
1 556 . 1 1 1 A 54 54 GLY H H 54 8.290 8.261 0.029 1
1 557 . 1 1 1 A 54 54 GLY HA2 H 54 4.226 4.082 0.144 1
1 558 . 1 1 1 A 54 54 GLY HA3 H 54 3.733 4.106 -0.373 1
1 559 . 1 1 1 A 54 54 GLY C C 54 173.761 174.591 -0.830 1
1 560 . 1 1 1 A 54 54 GLY CA C 54 46.147 45.312 0.835 1
1 561 . 1 1 1 A 54 54 GLY N N 54 113.723 110.416 3.307 1
1 562 . 1 1 1 A 55 55 LYS H H 55 8.598 7.345 1.253 1
1 563 . 1 1 1 A 55 55 LYS HA H 55 4.074 4.560 -0.486 1
1 572 . 1 1 1 A 55 55 LYS C C 55 174.748 175.734 -0.986 1
1 573 . 1 1 1 A 55 55 LYS CA C 55 58.270 55.956 2.314 1
1 574 . 1 1 1 A 55 55 LYS CB C 55 33.778 34.508 -0.730 1
1 578 . 1 1 1 A 55 55 LYS N N 55 124.175 119.544 4.631 1
1 579 . 1 1 1 A 56 56 THR H H 56 7.708 8.429 -0.721 1
1 580 . 1 1 1 A 56 56 THR HA H 56 5.028 5.435 -0.407 1
1 585 . 1 1 1 A 56 56 THR C C 56 173.673 173.490 0.183 1
1 586 . 1 1 1 A 56 56 THR CA C 56 60.779 59.326 1.453 1
1 587 . 1 1 1 A 56 56 THR CB C 56 70.823 71.483 -0.660 1
1 589 . 1 1 1 A 56 56 THR N N 56 113.091 111.805 1.286 1
1 590 . 1 1 1 A 57 57 PHE H H 57 8.944 8.728 0.216 1
1 591 . 1 1 1 A 57 57 PHE HA H 57 4.850 4.953 -0.103 1
1 599 . 1 1 1 A 57 57 PHE C C 57 175.764 175.673 0.091 1
1 600 . 1 1 1 A 57 57 PHE CA C 57 56.949 56.824 0.125 1
1 601 . 1 1 1 A 57 57 PHE CB C 57 43.729 42.997 0.732 1
1 607 . 1 1 1 A 57 57 PHE N N 57 119.958 119.620 0.338 1
1 608 . 1 1 1 A 58 58 THR HA H 58 4.629 5.124 -0.495 1
1 613 . 1 1 1 A 58 58 THR CA C 58 62.738 61.743 0.995 1
1 614 . 1 1 1 A 58 58 THR CB C 58 69.810 68.569 1.241 1
1 616 . 1 1 1 A 59 59 ARG H H 59 7.422 7.722 -0.300 1
1 617 . 1 1 1 A 59 59 ARG HA H 59 4.740 4.602 0.138 1
1 624 . 1 1 1 A 59 59 ARG CA C 59 54.724 54.251 0.473 1
1 625 . 1 1 1 A 59 59 ARG CB C 59 33.659 33.100 0.559 1
1 628 . 1 1 1 A 59 59 ARG N N 59 118.359 120.707 -2.348 1
1 629 . 1 1 1 A 60 60 ARG HA H 60 2.949 2.607 0.342 1
1 636 . 1 1 1 A 60 60 ARG CA C 60 59.468 59.226 0.242 1
1 637 . 1 1 1 A 60 60 ARG CB C 60 29.732 29.373 0.359 1
1 640 . 1 1 1 A 61 61 ASN HA H 61 4.332 4.309 0.023 1
1 645 . 1 1 1 A 61 61 ASN C C 61 177.497 177.720 -0.223 1
1 646 . 1 1 1 A 61 61 ASN CA C 61 56.212 56.272 -0.060 1
1 647 . 1 1 1 A 61 61 ASN CB C 61 37.142 38.588 -1.446 1
1 649 . 1 1 1 A 62 62 THR H H 62 7.076 8.142 -1.066 1
1 650 . 1 1 1 A 62 62 THR HA H 62 3.893 3.796 0.097 1
1 655 . 1 1 1 A 62 62 THR C C 62 176.684 175.793 0.891 1
1 656 . 1 1 1 A 62 62 THR CA C 62 65.025 67.019 -1.994 1
1 657 . 1 1 1 A 62 62 THR CB C 62 68.112 68.299 -0.187 1
1 659 . 1 1 1 A 62 62 THR N N 62 115.050 113.725 1.325 1
1 660 . 1 1 1 A 63 63 MET H H 63 7.149 8.183 -1.034 1
1 661 . 1 1 1 A 63 63 MET HA H 63 2.545 2.917 -0.372 1
1 669 . 1 1 1 A 63 63 MET C C 63 176.978 177.657 -0.679 1
1 670 . 1 1 1 A 63 63 MET CA C 63 58.791 58.343 0.448 1
1 671 . 1 1 1 A 63 63 MET CB C 63 31.556 31.514 0.042 1
1 674 . 1 1 1 A 63 63 MET N N 63 122.700 119.637 3.063 1
1 675 . 1 1 1 A 64 64 ALA H H 64 8.383 7.918 0.465 1
1 676 . 1 1 1 A 64 64 ALA HA H 64 3.944 3.896 0.048 1
1 680 . 1 1 1 A 64 64 ALA C C 64 179.879 179.880 -0.001 1
1 681 . 1 1 1 A 64 64 ALA CA C 64 55.324 55.302 0.022 1
1 682 . 1 1 1 A 64 64 ALA CB C 64 18.033 18.443 -0.410 1
1 683 . 1 1 1 A 64 64 ALA N N 64 122.001 121.212 0.789 1
1 684 . 1 1 1 A 65 65 ARG H H 65 7.574 7.914 -0.340 1
1 685 . 1 1 1 A 65 65 ARG HA H 65 4.139 3.977 0.162 1
1 692 . 1 1 1 A 65 65 ARG C C 65 178.946 178.887 0.059 1
1 693 . 1 1 1 A 65 65 ARG CA C 65 58.182 59.452 -1.270 1
1 694 . 1 1 1 A 65 65 ARG CB C 65 30.153 29.808 0.345 1
1 697 . 1 1 1 A 65 65 ARG N N 65 116.551 117.687 -1.136 1
1 698 . 1 1 1 A 66 66 HIS H H 66 7.455 8.071 -0.616 1
1 699 . 1 1 1 A 66 66 HIS HA H 66 4.271 4.262 0.009 1
1 704 . 1 1 1 A 66 66 HIS C C 66 177.633 176.517 1.116 1
1 705 . 1 1 1 A 66 66 HIS CA C 66 59.046 59.700 -0.654 1
1 706 . 1 1 1 A 66 66 HIS CB C 66 27.820 29.516 -1.696 1
1 709 . 1 1 1 A 66 66 HIS N N 66 118.483 119.648 -1.165 1
1 710 . 1 1 1 A 67 67 ALA H H 67 8.869 8.101 0.768 1
1 711 . 1 1 1 A 67 67 ALA HA H 67 3.968 3.730 0.238 1
1 715 . 1 1 1 A 67 67 ALA C C 67 179.374 179.200 0.174 1
1 716 . 1 1 1 A 67 67 ALA CA C 67 55.186 55.118 0.068 1
1 717 . 1 1 1 A 67 67 ALA CB C 67 18.851 18.285 0.566 1
1 718 . 1 1 1 A 67 67 ALA N N 67 122.114 120.506 1.608 1
1 719 . 1 1 1 A 68 68 ASP H H 68 7.476 7.716 -0.240 1
1 720 . 1 1 1 A 68 68 ASP HA H 68 4.401 4.234 0.167 1
1 723 . 1 1 1 A 68 68 ASP C C 68 176.580 178.455 -1.875 1
1 724 . 1 1 1 A 68 68 ASP CA C 68 56.772 57.588 -0.816 1
1 725 . 1 1 1 A 68 68 ASP CB C 68 40.945 40.280 0.665 1
1 726 . 1 1 1 A 68 68 ASP N N 68 116.466 119.590 -3.124 1
1 727 . 1 1 1 A 69 69 ASN H H 69 7.227 7.239 -0.012 1
1 728 . 1 1 1 A 69 69 ASN HA H 69 4.905 4.738 0.167 1
1 733 . 1 1 1 A 69 69 ASN C C 69 173.603 175.153 -1.550 1
1 734 . 1 1 1 A 69 69 ASN CA C 69 52.518 53.815 -1.297 1
1 735 . 1 1 1 A 69 69 ASN CB C 69 40.657 38.738 1.919 1
1 736 . 1 1 1 A 69 69 ASN N N 69 114.158 114.498 -0.340 1
1 738 . 1 1 1 A 70 70 CYS H H 70 7.201 7.263 -0.062 1
1 739 . 1 1 1 A 70 70 CYS HA H 70 3.902 4.265 -0.363 1
1 742 . 1 1 1 A 70 70 CYS C C 70 175.424 174.375 1.049 1
1 743 . 1 1 1 A 70 70 CYS CA C 70 61.195 59.134 2.061 1
1 744 . 1 1 1 A 70 70 CYS CB C 70 29.288 28.366 0.922 1
1 745 . 1 1 1 A 70 70 CYS N N 70 124.154 120.351 3.803 1
1 746 . 1 1 1 A 71 71 ALA H H 71 8.783 8.631 0.152 1
1 747 . 1 1 1 A 71 71 ALA HA H 71 4.562 4.274 0.288 1
1 751 . 1 1 1 A 71 71 ALA C C 71 177.513 177.108 0.405 1
1 752 . 1 1 1 A 71 71 ALA CA C 71 51.926 53.308 -1.382 1
1 753 . 1 1 1 A 71 71 ALA CB C 71 19.698 20.510 -0.812 1
1 754 . 1 1 1 A 71 71 ALA N N 71 131.493 127.488 4.005 1
1 755 . 1 1 1 A 72 72 GLY H H 72 8.645 7.199 1.446 1
1 756 . 1 1 1 A 72 72 GLY HA2 H 72 4.469 4.102 0.367 1
1 757 . 1 1 1 A 72 72 GLY HA3 H 72 3.628 4.109 -0.481 1
1 758 . 1 1 1 A 72 72 GLY C C 72 171.320 174.032 -2.712 1
1 759 . 1 1 1 A 72 72 GLY CA C 72 44.286 44.199 0.087 1
1 760 . 1 1 1 A 72 72 GLY N N 72 110.083 102.335 7.748 1
1 761 . 1 1 1 A 73 73 PRO HA H 73 4.470 4.381 0.089 1
1 768 . 1 1 1 A 73 73 PRO C C 73 176.905 177.439 -0.534 1
1 769 . 1 1 1 A 73 73 PRO CA C 73 63.706 64.685 -0.979 1
1 770 . 1 1 1 A 73 73 PRO CB C 73 32.344 31.824 0.520 1
1 773 . 1 1 1 A 74 74 ASP H H 74 8.506 8.236 0.270 1
1 774 . 1 1 1 A 74 74 ASP HA H 74 4.659 4.272 0.387 1
1 777 . 1 1 1 A 74 74 ASP C C 74 176.869 174.940 1.929 1
1 778 . 1 1 1 A 74 74 ASP CA C 74 54.617 55.111 -0.494 1
1 779 . 1 1 1 A 74 74 ASP CB C 74 41.335 39.936 1.399 1
1 780 . 1 1 1 A 74 74 ASP N N 74 120.155 118.054 2.101 1
1 781 . 1 1 1 A 75 75 GLY H H 75 8.257 7.752 0.505 1
1 782 . 1 1 1 A 75 75 GLY HA2 H 75 4.072 4.073 -0.001 1
1 783 . 1 1 1 A 75 75 GLY HA3 H 75 3.965 4.074 -0.109 1
1 784 . 1 1 1 A 75 75 GLY C C 75 174.256 171.948 2.308 1
1 785 . 1 1 1 A 75 75 GLY CA C 75 45.653 45.185 0.468 1
1 786 . 1 1 1 A 75 75 GLY N N 75 108.913 105.734 3.179 1
1 787 . 1 1 1 A 76 76 VAL H H 76 8.079 8.309 -0.230 1
1 788 . 1 1 1 A 76 76 VAL HA H 76 4.169 4.752 -0.583 1
1 796 . 1 1 1 A 76 76 VAL C C 76 176.347 175.112 1.235 1
1 797 . 1 1 1 A 76 76 VAL CA C 76 62.295 61.270 1.025 1
1 798 . 1 1 1 A 76 76 VAL CB C 76 32.871 33.341 -0.470 1
1 801 . 1 1 1 A 76 76 VAL N N 76 119.508 120.101 -0.593 1
1 802 . 1 1 1 A 77 77 GLU H H 77 8.619 8.774 -0.155 1
1 803 . 1 1 1 A 77 77 GLU HA H 77 4.310 4.866 -0.556 1
1 808 . 1 1 1 A 77 77 GLU C C 77 177.046 176.091 0.955 1
1 809 . 1 1 1 A 77 77 GLU CA C 77 56.966 55.309 1.657 1
1 810 . 1 1 1 A 77 77 GLU CB C 77 30.318 32.841 -2.523 1
1 812 . 1 1 1 A 77 77 GLU N N 77 125.001 126.005 -1.004 1
1 813 . 1 1 1 A 78 78 GLY H H 78 8.446 8.543 -0.097 1
1 814 . 1 1 1 A 78 78 GLY HA2 H 78 3.987 3.984 0.003 1
1 815 . 1 1 1 A 78 78 GLY HA3 H 78 3.987 3.988 -0.001 1
1 816 . 1 1 1 A 78 78 GLY C C 78 174.238 174.005 0.233 1
1 817 . 1 1 1 A 78 78 GLY CA C 78 45.283 45.639 -0.356 1
1 818 . 1 1 1 A 78 78 GLY N N 78 110.357 110.841 -0.484 1
1 819 . 1 1 1 A 79 79 GLU H H 79 8.313 8.031 0.282 1
1 820 . 1 1 1 A 79 79 GLU HA H 79 4.309 4.780 -0.471 1
1 825 . 1 1 1 A 79 79 GLU C C 79 176.509 174.765 1.744 1
1 826 . 1 1 1 A 79 79 GLU CA C 79 56.755 55.282 1.473 1
1 827 . 1 1 1 A 79 79 GLU CB C 79 30.317 32.127 -1.810 1
1 829 . 1 1 1 A 79 79 GLU N N 79 120.638 119.646 0.992 1
1 830 . 1 1 1 A 80 80 ASN H H 80 8.588 8.870 -0.282 1
1 831 . 1 1 1 A 80 80 ASN HA H 80 4.801 5.376 -0.575 1
1 834 . 1 1 1 A 80 80 ASN C C 80 175.202 173.335 1.867 1
1 835 . 1 1 1 A 80 80 ASN CA C 80 53.336 52.698 0.638 1
1 836 . 1 1 1 A 80 80 ASN CB C 80 39.051 42.234 -3.183 1
1 837 . 1 1 1 A 80 80 ASN N N 80 119.808 122.433 -2.625 1
1 838 . 1 1 1 A 81 81 SER H H 81 8.322 8.673 -0.351 1
1 839 . 1 1 1 A 81 81 SER HA H 81 4.517 5.094 -0.577 1
1 842 . 1 1 1 A 81 81 SER C C 81 174.643 172.893 1.750 1
1 843 . 1 1 1 A 81 81 SER CA C 81 58.499 57.579 0.920 1
1 844 . 1 1 1 A 81 81 SER CB C 81 64.056 66.128 -2.072 1
1 845 . 1 1 1 A 81 81 SER N N 81 116.318 115.591 0.727 1
1 846 . 1 1 1 A 82 82 GLY H H 82 8.303 8.855 -0.552 1
1 847 . 1 1 1 A 82 82 GLY HA2 H 82 4.170 4.531 -0.361 1
1 848 . 1 1 1 A 82 82 GLY HA3 H 82 4.125 4.532 -0.407 1
1 849 . 1 1 1 A 82 82 GLY C C 82 171.855 172.356 -0.501 1
1 850 . 1 1 1 A 82 82 GLY CA C 82 44.719 45.778 -1.059 1
1 851 . 1 1 1 A 82 82 GLY N N 82 110.706 110.118 0.588 1
1 852 . 1 1 1 A 83 83 PRO HA H 83 4.498 4.682 -0.184 1
1 859 . 1 1 1 A 83 83 PRO C C 83 177.459 175.895 1.564 1
1 860 . 1 1 1 A 83 83 PRO CA C 83 63.274 62.719 0.555 1
1 861 . 1 1 1 A 83 83 PRO CB C 83 32.254 31.536 0.718 1
1 864 . 1 1 1 A 84 84 SER H H 84 8.541 8.557 -0.016 1
1 865 . 1 1 1 A 84 84 SER HA H 84 4.508 4.962 -0.454 1
1 868 . 1 1 1 A 84 84 SER C C 84 174.744 174.300 0.444 1
1 869 . 1 1 1 A 84 84 SER CA C 84 58.412 57.512 0.900 1
1 870 . 1 1 1 A 84 84 SER CB C 84 64.056 67.593 -3.537 1
1 871 . 1 1 1 A 84 84 SER N N 84 116.449 120.034 -3.585 1
1 872 . 1 1 1 A 85 85 SER H H 85 8.353 9.172 -0.819 1
1 873 . 1 1 1 A 85 85 SER HA H 85 4.517 4.429 0.088 1
1 876 . 1 1 1 A 85 85 SER C C 85 173.953 174.774 -0.821 1
1 877 . 1 1 1 A 85 85 SER CA C 85 58.492 59.618 -1.126 1
1 878 . 1 1 1 A 85 85 SER CB C 85 64.138 64.298 -0.160 1
1 879 . 1 1 1 A 85 85 SER N N 85 117.940 118.314 -0.374 1
1 1 . 2 1 1 A 8 8 ARG HA H 8 4.432 5.016 -0.584 1
1 7 . 2 1 1 A 8 8 ARG CA C 8 56.069 54.226 1.843 1
1 8 . 2 1 1 A 8 8 ARG CB C 8 30.974 33.107 -2.133 1
1 14 . 2 1 1 A 9 9 THR CB C 9 69.816 70.208 -0.392 1
1 16 . 2 1 1 A 10 10 HIS HA H 10 4.730 5.064 -0.334 1
1 21 . 2 1 1 A 10 10 HIS CA C 10 56.345 54.635 1.710 1
1 22 . 2 1 1 A 10 10 HIS CB C 10 31.058 33.108 -2.050 1
1 28 . 2 1 1 A 11 11 THR CB C 11 69.816 70.202 -0.386 1
1 30 . 2 1 1 A 12 12 GLY HA2 H 12 3.978 4.048 -0.070 1
1 31 . 2 1 1 A 12 12 GLY HA3 H 12 3.978 4.066 -0.088 1
1 32 . 2 1 1 A 12 12 GLY CA C 12 45.442 45.242 0.200 1
1 33 . 2 1 1 A 13 13 GLU H H 13 8.243 8.583 -0.340 1
1 34 . 2 1 1 A 13 13 GLU HA H 13 4.235 4.921 -0.686 1
1 39 . 2 1 1 A 13 13 GLU CA C 13 56.898 56.337 0.561 1
1 40 . 2 1 1 A 13 13 GLU CB C 13 30.495 32.304 -1.809 1
1 42 . 2 1 1 A 13 13 GLU N N 13 120.364 121.996 -1.632 1
1 43 . 2 1 1 A 14 14 LYS H H 14 8.276 8.797 -0.521 1
1 44 . 2 1 1 A 14 14 LYS HA H 14 4.528 5.066 -0.538 1
1 53 . 2 1 1 A 14 14 LYS CA C 14 54.009 53.180 0.829 1
1 54 . 2 1 1 A 14 14 LYS CB C 14 32.667 33.434 -0.767 1
1 58 . 2 1 1 A 14 14 LYS N N 14 121.981 126.388 -4.407 1
1 59 . 2 1 1 A 15 15 PRO HA H 15 4.347 4.429 -0.082 1
1 66 . 2 1 1 A 15 15 PRO CA C 15 63.237 64.738 -1.501 1
1 67 . 2 1 1 A 15 15 PRO CB C 15 32.365 31.817 0.548 1
1 70 . 2 1 1 A 16 16 TYR H H 16 8.234 7.743 0.491 1
1 71 . 2 1 1 A 16 16 TYR HA H 16 4.508 4.758 -0.250 1
1 78 . 2 1 1 A 16 16 TYR C C 16 174.453 174.813 -0.360 1
1 79 . 2 1 1 A 16 16 TYR CA C 16 58.076 57.032 1.044 1
1 80 . 2 1 1 A 16 16 TYR CB C 16 38.346 37.959 0.387 1
1 85 . 2 1 1 A 16 16 TYR N N 16 118.751 117.804 0.947 1
1 86 . 2 1 1 A 17 17 ALA H H 17 8.567 9.020 -0.453 1
1 87 . 2 1 1 A 17 17 ALA HA H 17 4.754 5.342 -0.588 1
1 91 . 2 1 1 A 17 17 ALA C C 17 176.249 176.537 -0.288 1
1 92 . 2 1 1 A 17 17 ALA CA C 17 51.274 50.529 0.745 1
1 93 . 2 1 1 A 17 17 ALA CB C 17 20.625 20.751 -0.126 1
1 94 . 2 1 1 A 17 17 ALA N N 17 127.897 127.762 0.135 1
1 95 . 2 1 1 A 18 18 CYS H H 18 8.464 9.347 -0.883 1
1 96 . 2 1 1 A 18 18 CYS HA H 18 4.538 4.718 -0.180 1
1 99 . 2 1 1 A 18 18 CYS C C 18 175.739 175.020 0.719 1
1 100 . 2 1 1 A 18 18 CYS CA C 18 60.966 59.949 1.017 1
1 101 . 2 1 1 A 18 18 CYS CB C 18 29.435 28.925 0.510 1
1 102 . 2 1 1 A 18 18 CYS N N 18 125.366 122.206 3.160 1
1 103 . 2 1 1 A 19 19 SER H H 19 8.439 9.328 -0.889 1
1 104 . 2 1 1 A 19 19 SER HA H 19 4.426 4.381 0.045 1
1 107 . 2 1 1 A 19 19 SER C C 19 175.890 176.719 -0.829 1
1 108 . 2 1 1 A 19 19 SER CA C 19 60.085 61.553 -1.468 1
1 109 . 2 1 1 A 19 19 SER CB C 19 64.097 63.101 0.996 1
1 110 . 2 1 1 A 19 19 SER N N 19 121.912 121.158 0.754 1
1 111 . 2 1 1 A 20 20 HIS H H 20 9.949 8.331 1.618 1
1 112 . 2 1 1 A 20 20 HIS HA H 20 4.579 4.396 0.183 1
1 117 . 2 1 1 A 20 20 HIS C C 20 174.670 175.574 -0.904 1
1 118 . 2 1 1 A 20 20 HIS CA C 20 57.354 58.947 -1.593 1
1 119 . 2 1 1 A 20 20 HIS CB C 20 30.787 29.089 1.698 1
1 122 . 2 1 1 A 20 20 HIS N N 20 126.154 118.970 7.184 1
1 123 . 2 1 1 A 21 21 CYS H H 21 7.972 8.075 -0.103 1
1 124 . 2 1 1 A 21 21 CYS HA H 21 4.947 4.965 -0.018 1
1 127 . 2 1 1 A 21 21 CYS C C 21 172.879 173.984 -1.105 1
1 128 . 2 1 1 A 21 21 CYS CA C 21 58.891 56.597 2.294 1
1 129 . 2 1 1 A 21 21 CYS CB C 21 29.766 30.825 -1.059 1
1 130 . 2 1 1 A 21 21 CYS N N 21 119.638 115.137 4.501 1
1 131 . 2 1 1 A 22 22 ASP H H 22 8.167 8.645 -0.478 1
1 132 . 2 1 1 A 22 22 ASP HA H 22 4.668 4.932 -0.264 1
1 135 . 2 1 1 A 22 22 ASP C C 22 176.857 174.685 2.172 1
1 136 . 2 1 1 A 22 22 ASP CA C 22 54.587 53.922 0.665 1
1 137 . 2 1 1 A 22 22 ASP CB C 22 40.758 40.659 0.099 1
1 138 . 2 1 1 A 22 22 ASP N N 22 115.180 119.632 -4.452 1
1 139 . 2 1 1 A 23 23 LYS H H 23 8.407 7.664 0.743 1
1 140 . 2 1 1 A 23 23 LYS HA H 23 4.085 4.736 -0.651 1
1 148 . 2 1 1 A 23 23 LYS C C 23 175.732 175.942 -0.210 1
1 149 . 2 1 1 A 23 23 LYS CA C 23 57.537 54.402 3.135 1
1 150 . 2 1 1 A 23 23 LYS CB C 23 33.593 34.332 -0.739 1
1 154 . 2 1 1 A 23 23 LYS N N 23 122.302 117.364 4.938 1
1 155 . 2 1 1 A 24 24 THR H H 24 7.462 8.449 -0.987 1
1 156 . 2 1 1 A 24 24 THR HA H 24 5.018 5.456 -0.438 1
1 161 . 2 1 1 A 24 24 THR C C 24 173.047 172.848 0.199 1
1 162 . 2 1 1 A 24 24 THR CA C 24 59.500 59.214 0.286 1
1 163 . 2 1 1 A 24 24 THR CB C 24 71.795 71.983 -0.188 1
1 165 . 2 1 1 A 24 24 THR N N 24 110.405 111.928 -1.523 1
1 166 . 2 1 1 A 25 25 PHE H H 25 8.750 9.130 -0.380 1
1 167 . 2 1 1 A 25 25 PHE HA H 25 4.886 4.921 -0.035 1
1 175 . 2 1 1 A 25 25 PHE C C 25 175.982 175.671 0.311 1
1 176 . 2 1 1 A 25 25 PHE CA C 25 57.301 56.410 0.891 1
1 177 . 2 1 1 A 25 25 PHE CB C 25 44.782 43.463 1.319 1
1 183 . 2 1 1 A 25 25 PHE N N 25 116.161 117.898 -1.737 1
1 184 . 2 1 1 A 26 26 ARG HA H 26 4.550 4.432 0.118 1
1 191 . 2 1 1 A 26 26 ARG C C 26 175.820 176.138 -0.318 1
1 192 . 2 1 1 A 26 26 ARG CA C 26 57.830 57.829 0.001 1
1 193 . 2 1 1 A 26 26 ARG CB C 26 31.465 30.988 0.477 1
1 196 . 2 1 1 A 27 27 GLN H H 27 7.052 7.743 -0.691 1
1 197 . 2 1 1 A 27 27 GLN HA H 27 4.820 4.368 0.452 1
1 204 . 2 1 1 A 27 27 GLN C C 27 175.929 175.298 0.631 1
1 205 . 2 1 1 A 27 27 GLN CA C 27 53.971 54.372 -0.401 1
1 206 . 2 1 1 A 27 27 GLN CB C 27 32.968 30.737 2.231 1
1 208 . 2 1 1 A 27 27 GLN N N 27 111.833 119.490 -7.657 1
1 210 . 2 1 1 A 28 28 LYS H H 28 8.616 8.078 0.538 1
1 211 . 2 1 1 A 28 28 LYS HA H 28 3.013 3.325 -0.312 1
1 220 . 2 1 1 A 28 28 LYS C C 28 177.891 177.802 0.089 1
1 221 . 2 1 1 A 28 28 LYS CA C 28 59.351 59.815 -0.464 1
1 222 . 2 1 1 A 28 28 LYS CB C 28 31.901 31.877 0.024 1
1 226 . 2 1 1 A 28 28 LYS N N 28 127.969 125.950 2.019 1
1 227 . 2 1 1 A 29 29 GLN H H 29 9.039 7.612 1.427 1
1 228 . 2 1 1 A 29 29 GLN HA H 29 4.110 3.925 0.185 1
1 235 . 2 1 1 A 29 29 GLN C C 29 178.275 178.076 0.199 1
1 236 . 2 1 1 A 29 29 GLN CA C 29 59.073 58.630 0.443 1
1 237 . 2 1 1 A 29 29 GLN CB C 29 27.673 28.421 -0.748 1
1 239 . 2 1 1 A 29 29 GLN N N 29 116.426 118.638 -2.212 1
1 241 . 2 1 1 A 30 30 LEU H H 30 6.687 7.670 -0.983 1
1 242 . 2 1 1 A 30 30 LEU HA H 30 4.105 3.852 0.253 1
1 252 . 2 1 1 A 30 30 LEU C C 30 179.455 178.926 0.529 1
1 253 . 2 1 1 A 30 30 LEU CA C 30 56.878 57.584 -0.706 1
1 254 . 2 1 1 A 30 30 LEU CB C 30 41.552 41.907 -0.355 1
1 258 . 2 1 1 A 30 30 LEU N N 30 116.469 119.541 -3.072 1
1 259 . 2 1 1 A 31 31 LEU H H 31 6.875 7.513 -0.638 1
1 260 . 2 1 1 A 31 31 LEU HA H 31 3.174 2.220 0.954 1
1 270 . 2 1 1 A 31 31 LEU C C 31 177.599 177.886 -0.287 1
1 271 . 2 1 1 A 31 31 LEU CA C 31 57.829 57.233 0.596 1
1 272 . 2 1 1 A 31 31 LEU CB C 31 39.945 41.137 -1.192 1
1 276 . 2 1 1 A 31 31 LEU N N 31 122.863 119.453 3.410 1
1 277 . 2 1 1 A 32 32 ASP H H 32 8.429 8.469 -0.040 1
1 278 . 2 1 1 A 32 32 ASP HA H 32 4.356 4.215 0.141 1
1 281 . 2 1 1 A 32 32 ASP C C 32 179.142 178.136 1.006 1
1 282 . 2 1 1 A 32 32 ASP CA C 32 57.830 57.522 0.308 1
1 283 . 2 1 1 A 32 32 ASP CB C 32 39.978 40.829 -0.851 1
1 284 . 2 1 1 A 32 32 ASP N N 32 120.350 119.057 1.293 1
1 285 . 2 1 1 A 33 33 MET H H 33 7.738 8.520 -0.782 1
1 286 . 2 1 1 A 33 33 MET HA H 33 4.167 3.744 0.423 1
1 294 . 2 1 1 A 33 33 MET C C 33 178.463 177.956 0.507 1
1 295 . 2 1 1 A 33 33 MET CA C 33 58.454 58.121 0.333 1
1 296 . 2 1 1 A 33 33 MET CB C 33 32.924 32.288 0.636 1
1 299 . 2 1 1 A 33 33 MET N N 33 118.109 118.678 -0.569 1
1 300 . 2 1 1 A 34 34 HIS H H 34 7.632 8.389 -0.757 1
1 301 . 2 1 1 A 34 34 HIS HA H 34 4.396 4.237 0.159 1
1 306 . 2 1 1 A 34 34 HIS C C 34 176.258 176.646 -0.388 1
1 307 . 2 1 1 A 34 34 HIS CA C 34 59.715 59.170 0.545 1
1 308 . 2 1 1 A 34 34 HIS CB C 34 28.594 29.655 -1.061 1
1 311 . 2 1 1 A 34 34 HIS N N 34 120.242 120.262 -0.020 1
1 312 . 2 1 1 A 35 35 PHE H H 35 9.373 7.775 1.598 1
1 313 . 2 1 1 A 35 35 PHE HA H 35 3.726 3.881 -0.155 1
1 321 . 2 1 1 A 35 35 PHE C C 35 178.043 177.269 0.774 1
1 322 . 2 1 1 A 35 35 PHE CA C 35 62.870 61.204 1.666 1
1 323 . 2 1 1 A 35 35 PHE CB C 35 39.846 39.225 0.621 1
1 329 . 2 1 1 A 35 35 PHE N N 35 121.691 120.451 1.240 1
1 330 . 2 1 1 A 36 36 LYS H H 36 7.861 7.902 -0.041 1
1 331 . 2 1 1 A 36 36 LYS HA H 36 4.139 4.602 -0.463 1
1 340 . 2 1 1 A 36 36 LYS C C 36 176.843 178.453 -1.610 1
1 341 . 2 1 1 A 36 36 LYS CA C 36 58.198 58.591 -0.393 1
1 342 . 2 1 1 A 36 36 LYS CB C 36 32.906 32.325 0.581 1
1 346 . 2 1 1 A 36 36 LYS N N 36 118.022 117.876 0.146 1
1 347 . 2 1 1 A 37 37 ARG H H 37 7.298 7.590 -0.292 1
1 348 . 2 1 1 A 37 37 ARG HA H 37 3.717 4.397 -0.680 1
1 355 . 2 1 1 A 37 37 ARG C C 37 177.872 178.337 -0.465 1
1 356 . 2 1 1 A 37 37 ARG CA C 37 57.874 58.253 -0.379 1
1 357 . 2 1 1 A 37 37 ARG CB C 37 30.619 30.949 -0.330 1
1 360 . 2 1 1 A 37 37 ARG N N 37 114.740 120.420 -5.680 1
1 361 . 2 1 1 A 38 38 TYR H H 38 7.779 8.381 -0.602 1
1 362 . 2 1 1 A 38 38 TYR HA H 38 4.146 4.161 -0.015 1
1 369 . 2 1 1 A 38 38 TYR C C 38 176.160 178.507 -2.347 1
1 370 . 2 1 1 A 38 38 TYR CA C 38 59.941 60.167 -0.226 1
1 371 . 2 1 1 A 38 38 TYR CB C 38 38.516 38.002 0.514 1
1 376 . 2 1 1 A 38 38 TYR N N 38 112.257 118.825 -6.568 1
1 377 . 2 1 1 A 39 39 HIS H H 39 7.679 7.658 0.021 1
1 378 . 2 1 1 A 39 39 HIS HA H 39 4.943 4.370 0.573 1
1 383 . 2 1 1 A 39 39 HIS C C 39 173.845 174.764 -0.919 1
1 384 . 2 1 1 A 39 39 HIS CA C 39 54.045 58.482 -4.437 1
1 385 . 2 1 1 A 39 39 HIS CB C 39 29.490 28.989 0.501 1
1 388 . 2 1 1 A 39 39 HIS N N 39 114.679 116.883 -2.204 1
1 389 . 2 1 1 A 40 40 ASP H H 40 7.317 7.379 -0.062 1
1 390 . 2 1 1 A 40 40 ASP HA H 40 4.800 4.913 -0.113 1
1 393 . 2 1 1 A 40 40 ASP C C 40 175.035 174.974 0.061 1
1 394 . 2 1 1 A 40 40 ASP CA C 40 51.697 50.394 1.303 1
1 395 . 2 1 1 A 40 40 ASP CB C 40 42.630 43.231 -0.601 1
1 396 . 2 1 1 A 40 40 ASP N N 40 119.125 118.018 1.107 1
1 397 . 2 1 1 A 41 41 PRO HA H 41 4.552 4.401 0.151 1
1 404 . 2 1 1 A 41 41 PRO C C 41 177.331 177.614 -0.283 1
1 405 . 2 1 1 A 41 41 PRO CA C 41 64.019 64.099 -0.080 1
1 406 . 2 1 1 A 41 41 PRO CB C 41 32.235 31.815 0.420 1
1 409 . 2 1 1 A 42 42 ASN H H 42 8.484 8.699 -0.215 1
1 410 . 2 1 1 A 42 42 ASN HA H 42 4.703 4.543 0.160 1
1 415 . 2 1 1 A 42 42 ASN C C 42 174.879 176.521 -1.642 1
1 416 . 2 1 1 A 42 42 ASN CA C 42 53.371 56.405 -3.034 1
1 417 . 2 1 1 A 42 42 ASN CB C 42 39.009 38.538 0.471 1
1 418 . 2 1 1 A 42 42 ASN N N 42 116.107 116.764 -0.657 1
1 420 . 2 1 1 A 43 43 PHE H H 43 7.741 7.686 0.055 1
1 421 . 2 1 1 A 43 43 PHE HA H 43 4.448 4.449 -0.001 1
1 429 . 2 1 1 A 43 43 PHE CA C 43 58.640 59.859 -1.219 1
1 430 . 2 1 1 A 43 43 PHE CB C 43 40.203 39.855 0.348 1
1 436 . 2 1 1 A 43 43 PHE N N 43 121.284 118.566 2.718 1
1 437 . 2 1 1 A 44 44 VAL H H 44 7.718 8.191 -0.473 1
1 438 . 2 1 1 A 44 44 VAL HA H 44 4.221 4.823 -0.602 1
1 446 . 2 1 1 A 44 44 VAL C C 44 173.190 173.456 -0.266 1
1 447 . 2 1 1 A 44 44 VAL CA C 44 59.177 58.471 0.706 1
1 448 . 2 1 1 A 44 44 VAL CB C 44 33.260 34.832 -1.572 1
1 451 . 2 1 1 A 44 44 VAL N N 44 126.832 126.599 0.233 1
1 452 . 2 1 1 A 45 45 PRO HA H 45 4.114 4.770 -0.656 1
1 459 . 2 1 1 A 45 45 PRO C C 45 176.031 177.456 -1.425 1
1 460 . 2 1 1 A 45 45 PRO CA C 45 62.732 62.237 0.495 1
1 461 . 2 1 1 A 45 45 PRO CB C 45 32.197 32.604 -0.407 1
1 464 . 2 1 1 A 46 46 ALA H H 46 8.199 8.396 -0.197 1
1 465 . 2 1 1 A 46 46 ALA HA H 46 4.161 4.464 -0.303 1
1 469 . 2 1 1 A 46 46 ALA C C 46 176.631 176.542 0.089 1
1 470 . 2 1 1 A 46 46 ALA CA C 46 52.105 52.337 -0.232 1
1 471 . 2 1 1 A 46 46 ALA CB C 46 19.315 19.214 0.101 1
1 472 . 2 1 1 A 46 46 ALA N N 46 124.122 125.751 -1.629 1
1 473 . 2 1 1 A 47 47 ALA H H 47 7.755 8.831 -1.076 1
1 474 . 2 1 1 A 47 47 ALA HA H 47 4.218 5.123 -0.905 1
1 478 . 2 1 1 A 47 47 ALA C C 47 176.322 175.633 0.689 1
1 479 . 2 1 1 A 47 47 ALA CA C 47 52.140 50.325 1.815 1
1 480 . 2 1 1 A 47 47 ALA CB C 47 20.283 19.682 0.601 1
1 481 . 2 1 1 A 47 47 ALA N N 47 121.689 127.026 -5.337 1
1 482 . 2 1 1 A 48 48 PHE H H 48 8.323 9.128 -0.805 1
1 483 . 2 1 1 A 48 48 PHE HA H 48 4.782 5.111 -0.329 1
1 491 . 2 1 1 A 48 48 PHE C C 48 174.258 174.166 0.092 1
1 492 . 2 1 1 A 48 48 PHE CA C 48 57.108 56.639 0.469 1
1 493 . 2 1 1 A 48 48 PHE CB C 48 40.615 40.671 -0.056 1
1 499 . 2 1 1 A 48 48 PHE N N 48 118.583 122.773 -4.190 1
1 500 . 2 1 1 A 49 49 VAL H H 49 8.584 9.129 -0.545 1
1 501 . 2 1 1 A 49 49 VAL HA H 49 4.829 5.355 -0.526 1
1 509 . 2 1 1 A 49 49 VAL C C 49 175.667 174.845 0.822 1
1 510 . 2 1 1 A 49 49 VAL CA C 49 60.508 59.742 0.766 1
1 511 . 2 1 1 A 49 49 VAL CB C 49 35.158 34.060 1.098 1
1 514 . 2 1 1 A 49 49 VAL N N 49 123.555 123.955 -0.400 1
1 515 . 2 1 1 A 50 50 CYS H H 50 9.170 9.399 -0.229 1
1 516 . 2 1 1 A 50 50 CYS HA H 50 4.593 4.612 -0.019 1
1 519 . 2 1 1 A 50 50 CYS C C 50 177.661 174.905 2.756 1
1 520 . 2 1 1 A 50 50 CYS CA C 50 59.909 59.877 0.032 1
1 521 . 2 1 1 A 50 50 CYS CB C 50 30.835 28.621 2.214 1
1 522 . 2 1 1 A 50 50 CYS N N 50 128.866 126.613 2.253 1
1 523 . 2 1 1 A 51 51 SER H H 51 9.205 8.909 0.296 1
1 524 . 2 1 1 A 51 51 SER HA H 51 4.271 4.608 -0.337 1
1 527 . 2 1 1 A 51 51 SER C C 51 174.401 175.438 -1.037 1
1 528 . 2 1 1 A 51 51 SER CA C 51 60.890 59.809 1.081 1
1 529 . 2 1 1 A 51 51 SER CB C 51 63.231 64.146 -0.915 1
1 530 . 2 1 1 A 51 51 SER N N 51 128.162 120.429 7.733 1
1 531 . 2 1 1 A 52 52 LYS H H 52 9.118 7.454 1.664 1
1 532 . 2 1 1 A 52 52 LYS HA H 52 4.421 4.097 0.324 1
1 541 . 2 1 1 A 52 52 LYS C C 52 177.831 178.051 -0.220 1
1 542 . 2 1 1 A 52 52 LYS CA C 52 58.535 58.911 -0.376 1
1 543 . 2 1 1 A 52 52 LYS CB C 52 34.152 32.698 1.454 1
1 547 . 2 1 1 A 52 52 LYS N N 52 123.970 121.291 2.679 1
1 548 . 2 1 1 A 53 53 CYS H H 53 8.241 8.060 0.181 1
1 549 . 2 1 1 A 53 53 CYS HA H 53 4.999 4.611 0.388 1
1 552 . 2 1 1 A 53 53 CYS C C 53 176.529 175.437 1.092 1
1 553 . 2 1 1 A 53 53 CYS CA C 53 58.587 59.667 -1.080 1
1 554 . 2 1 1 A 53 53 CYS CB C 53 33.353 29.523 3.830 1
1 555 . 2 1 1 A 53 53 CYS N N 53 115.684 114.614 1.070 1
1 556 . 2 1 1 A 54 54 GLY H H 54 8.290 8.297 -0.007 1
1 557 . 2 1 1 A 54 54 GLY HA2 H 54 4.226 4.036 0.190 1
1 558 . 2 1 1 A 54 54 GLY HA3 H 54 3.733 4.061 -0.328 1
1 559 . 2 1 1 A 54 54 GLY C C 54 173.761 174.498 -0.737 1
1 560 . 2 1 1 A 54 54 GLY CA C 54 46.147 45.509 0.638 1
1 561 . 2 1 1 A 54 54 GLY N N 54 113.723 110.497 3.226 1
1 562 . 2 1 1 A 55 55 LYS H H 55 8.598 7.552 1.046 1
1 563 . 2 1 1 A 55 55 LYS HA H 55 4.074 4.582 -0.508 1
1 572 . 2 1 1 A 55 55 LYS C C 55 174.748 176.673 -1.925 1
1 573 . 2 1 1 A 55 55 LYS CA C 55 58.270 55.092 3.178 1
1 574 . 2 1 1 A 55 55 LYS CB C 55 33.778 33.939 -0.161 1
1 578 . 2 1 1 A 55 55 LYS N N 55 124.175 121.320 2.855 1
1 579 . 2 1 1 A 56 56 THR H H 56 7.708 8.466 -0.758 1
1 580 . 2 1 1 A 56 56 THR HA H 56 5.028 4.844 0.184 1
1 585 . 2 1 1 A 56 56 THR C C 56 173.673 174.245 -0.572 1
1 586 . 2 1 1 A 56 56 THR CA C 56 60.779 61.644 -0.865 1
1 587 . 2 1 1 A 56 56 THR CB C 56 70.823 69.918 0.905 1
1 589 . 2 1 1 A 56 56 THR N N 56 113.091 115.830 -2.739 1
1 590 . 2 1 1 A 57 57 PHE H H 57 8.944 9.169 -0.225 1
1 591 . 2 1 1 A 57 57 PHE HA H 57 4.850 5.004 -0.154 1
1 599 . 2 1 1 A 57 57 PHE C C 57 175.764 175.729 0.035 1
1 600 . 2 1 1 A 57 57 PHE CA C 57 56.949 56.447 0.502 1
1 601 . 2 1 1 A 57 57 PHE CB C 57 43.729 43.408 0.321 1
1 607 . 2 1 1 A 57 57 PHE N N 57 119.958 120.428 -0.470 1
1 608 . 2 1 1 A 58 58 THR HA H 58 4.629 4.594 0.035 1
1 613 . 2 1 1 A 58 58 THR CA C 58 62.738 63.230 -0.492 1
1 614 . 2 1 1 A 58 58 THR CB C 58 69.810 70.573 -0.763 1
1 616 . 2 1 1 A 59 59 ARG H H 59 7.422 7.939 -0.517 1
1 617 . 2 1 1 A 59 59 ARG HA H 59 4.740 4.576 0.164 1
1 624 . 2 1 1 A 59 59 ARG CA C 59 54.724 54.156 0.568 1
1 625 . 2 1 1 A 59 59 ARG CB C 59 33.659 33.022 0.637 1
1 628 . 2 1 1 A 59 59 ARG N N 59 118.359 121.141 -2.782 1
1 629 . 2 1 1 A 60 60 ARG HA H 60 2.949 3.315 -0.366 1
1 636 . 2 1 1 A 60 60 ARG CA C 60 59.468 59.507 -0.039 1
1 637 . 2 1 1 A 60 60 ARG CB C 60 29.732 29.586 0.146 1
1 640 . 2 1 1 A 61 61 ASN HA H 61 4.332 4.243 0.089 1
1 645 . 2 1 1 A 61 61 ASN C C 61 177.497 177.989 -0.492 1
1 646 . 2 1 1 A 61 61 ASN CA C 61 56.212 56.426 -0.214 1
1 647 . 2 1 1 A 61 61 ASN CB C 61 37.142 37.983 -0.841 1
1 649 . 2 1 1 A 62 62 THR H H 62 7.076 8.076 -1.000 1
1 650 . 2 1 1 A 62 62 THR HA H 62 3.893 3.862 0.031 1
1 655 . 2 1 1 A 62 62 THR C C 62 176.684 175.803 0.881 1
1 656 . 2 1 1 A 62 62 THR CA C 62 65.025 67.409 -2.384 1
1 657 . 2 1 1 A 62 62 THR CB C 62 68.112 67.619 0.493 1
1 659 . 2 1 1 A 62 62 THR N N 62 115.050 115.678 -0.628 1
1 660 . 2 1 1 A 63 63 MET H H 63 7.149 7.880 -0.731 1
1 661 . 2 1 1 A 63 63 MET HA H 63 2.545 3.333 -0.788 1
1 669 . 2 1 1 A 63 63 MET C C 63 176.978 177.673 -0.695 1
1 670 . 2 1 1 A 63 63 MET CA C 63 58.791 57.752 1.039 1
1 671 . 2 1 1 A 63 63 MET CB C 63 31.556 31.903 -0.347 1
1 674 . 2 1 1 A 63 63 MET N N 63 122.700 119.829 2.871 1
1 675 . 2 1 1 A 64 64 ALA H H 64 8.383 8.534 -0.151 1
1 676 . 2 1 1 A 64 64 ALA HA H 64 3.944 3.979 -0.035 1
1 680 . 2 1 1 A 64 64 ALA C C 64 179.879 179.996 -0.117 1
1 681 . 2 1 1 A 64 64 ALA CA C 64 55.324 55.281 0.043 1
1 682 . 2 1 1 A 64 64 ALA CB C 64 18.033 18.510 -0.477 1
1 683 . 2 1 1 A 64 64 ALA N N 64 122.001 121.214 0.787 1
1 684 . 2 1 1 A 65 65 ARG H H 65 7.574 7.908 -0.334 1
1 685 . 2 1 1 A 65 65 ARG HA H 65 4.139 3.969 0.170 1
1 692 . 2 1 1 A 65 65 ARG C C 65 178.946 178.607 0.339 1
1 693 . 2 1 1 A 65 65 ARG CA C 65 58.182 59.383 -1.201 1
1 694 . 2 1 1 A 65 65 ARG CB C 65 30.153 29.890 0.263 1
1 697 . 2 1 1 A 65 65 ARG N N 65 116.551 117.358 -0.807 1
1 698 . 2 1 1 A 66 66 HIS H H 66 7.455 8.107 -0.652 1
1 699 . 2 1 1 A 66 66 HIS HA H 66 4.271 4.155 0.116 1
1 704 . 2 1 1 A 66 66 HIS C C 66 177.633 176.615 1.018 1
1 705 . 2 1 1 A 66 66 HIS CA C 66 59.046 59.814 -0.768 1
1 706 . 2 1 1 A 66 66 HIS CB C 66 27.820 29.686 -1.866 1
1 709 . 2 1 1 A 66 66 HIS N N 66 118.483 119.632 -1.149 1
1 710 . 2 1 1 A 67 67 ALA H H 67 8.869 8.093 0.776 1
1 711 . 2 1 1 A 67 67 ALA HA H 67 3.968 3.687 0.281 1
1 715 . 2 1 1 A 67 67 ALA C C 67 179.374 178.811 0.563 1
1 716 . 2 1 1 A 67 67 ALA CA C 67 55.186 55.112 0.074 1
1 717 . 2 1 1 A 67 67 ALA CB C 67 18.851 18.227 0.624 1
1 718 . 2 1 1 A 67 67 ALA N N 67 122.114 120.498 1.616 1
1 719 . 2 1 1 A 68 68 ASP H H 68 7.476 8.329 -0.853 1
1 720 . 2 1 1 A 68 68 ASP HA H 68 4.401 4.237 0.164 1
1 723 . 2 1 1 A 68 68 ASP C C 68 176.580 178.101 -1.521 1
1 724 . 2 1 1 A 68 68 ASP CA C 68 56.772 57.584 -0.812 1
1 725 . 2 1 1 A 68 68 ASP CB C 68 40.945 41.133 -0.188 1
1 726 . 2 1 1 A 68 68 ASP N N 68 116.466 118.334 -1.868 1
1 727 . 2 1 1 A 69 69 ASN H H 69 7.227 7.953 -0.726 1
1 728 . 2 1 1 A 69 69 ASN HA H 69 4.905 4.640 0.265 1
1 733 . 2 1 1 A 69 69 ASN C C 69 173.603 175.255 -1.652 1
1 734 . 2 1 1 A 69 69 ASN CA C 69 52.518 54.653 -2.135 1
1 735 . 2 1 1 A 69 69 ASN CB C 69 40.657 38.637 2.020 1
1 736 . 2 1 1 A 69 69 ASN N N 69 114.158 115.386 -1.228 1
1 738 . 2 1 1 A 70 70 CYS H H 70 7.201 7.359 -0.158 1
1 739 . 2 1 1 A 70 70 CYS HA H 70 3.902 4.311 -0.409 1
1 742 . 2 1 1 A 70 70 CYS C C 70 175.424 174.105 1.319 1
1 743 . 2 1 1 A 70 70 CYS CA C 70 61.195 58.768 2.427 1
1 744 . 2 1 1 A 70 70 CYS CB C 70 29.288 28.727 0.561 1
1 745 . 2 1 1 A 70 70 CYS N N 70 124.154 119.329 4.825 1
1 746 . 2 1 1 A 71 71 ALA H H 71 8.783 8.825 -0.042 1
1 747 . 2 1 1 A 71 71 ALA HA H 71 4.562 4.519 0.043 1
1 751 . 2 1 1 A 71 71 ALA C C 71 177.513 176.855 0.658 1
1 752 . 2 1 1 A 71 71 ALA CA C 71 51.926 52.357 -0.431 1
1 753 . 2 1 1 A 71 71 ALA CB C 71 19.698 21.347 -1.649 1
1 754 . 2 1 1 A 71 71 ALA N N 71 131.493 125.184 6.309 1
1 755 . 2 1 1 A 72 72 GLY H H 72 8.645 7.271 1.374 1
1 756 . 2 1 1 A 72 72 GLY HA2 H 72 4.469 4.090 0.379 1
1 757 . 2 1 1 A 72 72 GLY HA3 H 72 3.628 4.101 -0.473 1
1 758 . 2 1 1 A 72 72 GLY C C 72 171.320 172.043 -0.723 1
1 759 . 2 1 1 A 72 72 GLY CA C 72 44.286 44.509 -0.223 1
1 760 . 2 1 1 A 72 72 GLY N N 72 110.083 102.708 7.375 1
1 761 . 2 1 1 A 73 73 PRO HA H 73 4.470 4.709 -0.239 1
1 768 . 2 1 1 A 73 73 PRO C C 73 176.905 176.462 0.443 1
1 769 . 2 1 1 A 73 73 PRO CA C 73 63.706 62.649 1.057 1
1 770 . 2 1 1 A 73 73 PRO CB C 73 32.344 31.398 0.946 1
1 773 . 2 1 1 A 74 74 ASP H H 74 8.506 8.910 -0.404 1
1 774 . 2 1 1 A 74 74 ASP HA H 74 4.659 4.573 0.086 1
1 777 . 2 1 1 A 74 74 ASP C C 74 176.869 177.378 -0.509 1
1 778 . 2 1 1 A 74 74 ASP CA C 74 54.617 55.663 -1.046 1
1 779 . 2 1 1 A 74 74 ASP CB C 74 41.335 41.460 -0.125 1
1 780 . 2 1 1 A 74 74 ASP N N 74 120.155 122.045 -1.890 1
1 781 . 2 1 1 A 75 75 GLY H H 75 8.257 7.821 0.436 1
1 782 . 2 1 1 A 75 75 GLY HA2 H 75 4.072 4.022 0.050 1
1 783 . 2 1 1 A 75 75 GLY HA3 H 75 3.965 4.022 -0.057 1
1 784 . 2 1 1 A 75 75 GLY C C 75 174.256 173.430 0.826 1
1 785 . 2 1 1 A 75 75 GLY CA C 75 45.653 44.867 0.786 1
1 786 . 2 1 1 A 75 75 GLY N N 75 108.913 106.226 2.687 1
1 787 . 2 1 1 A 76 76 VAL H H 76 8.079 8.112 -0.033 1
1 788 . 2 1 1 A 76 76 VAL HA H 76 4.169 4.415 -0.246 1
1 796 . 2 1 1 A 76 76 VAL C C 76 176.347 175.386 0.961 1
1 797 . 2 1 1 A 76 76 VAL CA C 76 62.295 61.054 1.241 1
1 798 . 2 1 1 A 76 76 VAL CB C 76 32.871 33.869 -0.998 1
1 801 . 2 1 1 A 76 76 VAL N N 76 119.508 117.161 2.347 1
1 802 . 2 1 1 A 77 77 GLU H H 77 8.619 8.863 -0.244 1
1 803 . 2 1 1 A 77 77 GLU HA H 77 4.310 3.866 0.444 1
1 808 . 2 1 1 A 77 77 GLU C C 77 177.046 175.360 1.686 1
1 809 . 2 1 1 A 77 77 GLU CA C 77 56.966 57.410 -0.444 1
1 810 . 2 1 1 A 77 77 GLU CB C 77 30.318 27.815 2.503 1
1 812 . 2 1 1 A 77 77 GLU N N 77 125.001 119.279 5.722 1
1 813 . 2 1 1 A 78 78 GLY H H 78 8.446 8.123 0.323 1
1 814 . 2 1 1 A 78 78 GLY HA2 H 78 3.987 4.065 -0.078 1
1 815 . 2 1 1 A 78 78 GLY HA3 H 78 3.987 4.066 -0.079 1
1 816 . 2 1 1 A 78 78 GLY C C 78 174.238 172.801 1.437 1
1 817 . 2 1 1 A 78 78 GLY CA C 78 45.283 46.258 -0.975 1
1 818 . 2 1 1 A 78 78 GLY N N 78 110.357 107.281 3.076 1
1 819 . 2 1 1 A 79 79 GLU H H 79 8.313 8.661 -0.348 1
1 820 . 2 1 1 A 79 79 GLU HA H 79 4.309 4.559 -0.250 1
1 825 . 2 1 1 A 79 79 GLU C C 79 176.509 177.124 -0.615 1
1 826 . 2 1 1 A 79 79 GLU CA C 79 56.755 55.869 0.886 1
1 827 . 2 1 1 A 79 79 GLU CB C 79 30.317 30.859 -0.542 1
1 829 . 2 1 1 A 79 79 GLU N N 79 120.638 123.467 -2.829 1
1 830 . 2 1 1 A 80 80 ASN H H 80 8.588 9.148 -0.560 1
1 831 . 2 1 1 A 80 80 ASN HA H 80 4.801 4.358 0.443 1
1 834 . 2 1 1 A 80 80 ASN C C 80 175.202 175.226 -0.024 1
1 835 . 2 1 1 A 80 80 ASN CA C 80 53.336 53.994 -0.658 1
1 836 . 2 1 1 A 80 80 ASN CB C 80 39.051 37.462 1.589 1
1 837 . 2 1 1 A 80 80 ASN N N 80 119.808 122.278 -2.470 1
1 838 . 2 1 1 A 81 81 SER H H 81 8.322 7.859 0.463 1
1 839 . 2 1 1 A 81 81 SER HA H 81 4.517 4.217 0.300 1
1 842 . 2 1 1 A 81 81 SER C C 81 174.643 175.179 -0.536 1
1 843 . 2 1 1 A 81 81 SER CA C 81 58.499 60.042 -1.543 1
1 844 . 2 1 1 A 81 81 SER CB C 81 64.056 62.419 1.637 1
1 845 . 2 1 1 A 81 81 SER N N 81 116.318 115.303 1.015 1
1 846 . 2 1 1 A 82 82 GLY H H 82 8.303 8.814 -0.511 1
1 847 . 2 1 1 A 82 82 GLY HA2 H 82 4.170 4.130 0.040 1
1 848 . 2 1 1 A 82 82 GLY HA3 H 82 4.125 4.130 -0.005 1
1 849 . 2 1 1 A 82 82 GLY C C 82 171.855 174.999 -3.144 1
1 850 . 2 1 1 A 82 82 GLY CA C 82 44.719 45.783 -1.064 1
1 851 . 2 1 1 A 82 82 GLY N N 82 110.706 115.176 -4.470 1
1 852 . 2 1 1 A 83 83 PRO HA H 83 4.498 4.285 0.213 1
1 859 . 2 1 1 A 83 83 PRO C C 83 177.459 177.685 -0.226 1
1 860 . 2 1 1 A 83 83 PRO CA C 83 63.274 64.970 -1.696 1
1 861 . 2 1 1 A 83 83 PRO CB C 83 32.254 31.910 0.344 1
1 864 . 2 1 1 A 84 84 SER H H 84 8.541 8.149 0.392 1
1 865 . 2 1 1 A 84 84 SER HA H 84 4.508 4.068 0.440 1
1 868 . 2 1 1 A 84 84 SER C C 84 174.744 173.121 1.623 1
1 869 . 2 1 1 A 84 84 SER CA C 84 58.412 59.341 -0.929 1
1 870 . 2 1 1 A 84 84 SER CB C 84 64.056 61.841 2.215 1
1 871 . 2 1 1 A 84 84 SER N N 84 116.449 115.032 1.417 1
1 872 . 2 1 1 A 85 85 SER H H 85 8.353 7.442 0.911 1
1 873 . 2 1 1 A 85 85 SER HA H 85 4.517 4.737 -0.220 1
1 876 . 2 1 1 A 85 85 SER C C 85 173.953 173.074 0.879 1
1 877 . 2 1 1 A 85 85 SER CA C 85 58.492 57.464 1.028 1
1 878 . 2 1 1 A 85 85 SER CB C 85 64.138 65.382 -1.244 1
1 879 . 2 1 1 A 85 85 SER N N 85 117.940 111.664 6.276 1
1 1 . 3 1 1 A 8 8 ARG HA H 8 4.432 4.918 -0.486 1
1 7 . 3 1 1 A 8 8 ARG CA C 8 56.069 54.023 2.046 1
1 8 . 3 1 1 A 8 8 ARG CB C 8 30.974 34.634 -3.660 1
1 14 . 3 1 1 A 9 9 THR CB C 9 69.816 70.305 -0.489 1
1 16 . 3 1 1 A 10 10 HIS HA H 10 4.730 4.759 -0.029 1
1 21 . 3 1 1 A 10 10 HIS CA C 10 56.345 55.875 0.470 1
1 22 . 3 1 1 A 10 10 HIS CB C 10 31.058 29.710 1.348 1
1 28 . 3 1 1 A 11 11 THR CB C 11 69.816 68.751 1.065 1
1 30 . 3 1 1 A 12 12 GLY HA2 H 12 3.978 4.099 -0.121 1
1 31 . 3 1 1 A 12 12 GLY HA3 H 12 3.978 4.103 -0.125 1
1 32 . 3 1 1 A 12 12 GLY CA C 12 45.442 44.261 1.181 1
1 33 . 3 1 1 A 13 13 GLU H H 13 8.243 8.417 -0.174 1
1 34 . 3 1 1 A 13 13 GLU HA H 13 4.235 4.798 -0.563 1
1 39 . 3 1 1 A 13 13 GLU CA C 13 56.898 55.327 1.571 1
1 40 . 3 1 1 A 13 13 GLU CB C 13 30.495 30.962 -0.467 1
1 42 . 3 1 1 A 13 13 GLU N N 13 120.364 121.047 -0.683 1
1 43 . 3 1 1 A 14 14 LYS H H 14 8.276 8.585 -0.309 1
1 44 . 3 1 1 A 14 14 LYS HA H 14 4.528 4.293 0.235 1
1 53 . 3 1 1 A 14 14 LYS CA C 14 54.009 55.065 -1.056 1
1 54 . 3 1 1 A 14 14 LYS CB C 14 32.667 32.696 -0.029 1
1 58 . 3 1 1 A 14 14 LYS N N 14 121.981 125.770 -3.789 1
1 59 . 3 1 1 A 15 15 PRO HA H 15 4.347 4.397 -0.050 1
1 66 . 3 1 1 A 15 15 PRO CA C 15 63.237 65.039 -1.802 1
1 67 . 3 1 1 A 15 15 PRO CB C 15 32.365 31.797 0.568 1
1 70 . 3 1 1 A 16 16 TYR H H 16 8.234 7.561 0.673 1
1 71 . 3 1 1 A 16 16 TYR HA H 16 4.508 4.730 -0.222 1
1 78 . 3 1 1 A 16 16 TYR C C 16 174.453 175.378 -0.925 1
1 79 . 3 1 1 A 16 16 TYR CA C 16 58.076 57.640 0.436 1
1 80 . 3 1 1 A 16 16 TYR CB C 16 38.346 38.611 -0.265 1
1 85 . 3 1 1 A 16 16 TYR N N 16 118.751 117.952 0.799 1
1 86 . 3 1 1 A 17 17 ALA H H 17 8.567 9.015 -0.448 1
1 87 . 3 1 1 A 17 17 ALA HA H 17 4.754 5.333 -0.579 1
1 91 . 3 1 1 A 17 17 ALA C C 17 176.249 176.548 -0.299 1
1 92 . 3 1 1 A 17 17 ALA CA C 17 51.274 50.381 0.893 1
1 93 . 3 1 1 A 17 17 ALA CB C 17 20.625 21.401 -0.776 1
1 94 . 3 1 1 A 17 17 ALA N N 17 127.897 127.660 0.237 1
1 95 . 3 1 1 A 18 18 CYS H H 18 8.464 9.092 -0.628 1
1 96 . 3 1 1 A 18 18 CYS HA H 18 4.538 4.560 -0.022 1
1 99 . 3 1 1 A 18 18 CYS C C 18 175.739 175.187 0.552 1
1 100 . 3 1 1 A 18 18 CYS CA C 18 60.966 60.190 0.776 1
1 101 . 3 1 1 A 18 18 CYS CB C 18 29.435 28.689 0.746 1
1 102 . 3 1 1 A 18 18 CYS N N 18 125.366 123.162 2.204 1
1 103 . 3 1 1 A 19 19 SER H H 19 8.439 9.226 -0.787 1
1 104 . 3 1 1 A 19 19 SER HA H 19 4.426 4.544 -0.118 1
1 107 . 3 1 1 A 19 19 SER C C 19 175.890 176.652 -0.762 1
1 108 . 3 1 1 A 19 19 SER CA C 19 60.085 61.526 -1.441 1
1 109 . 3 1 1 A 19 19 SER CB C 19 64.097 63.702 0.395 1
1 110 . 3 1 1 A 19 19 SER N N 19 121.912 121.504 0.408 1
1 111 . 3 1 1 A 20 20 HIS H H 20 9.949 8.156 1.793 1
1 112 . 3 1 1 A 20 20 HIS HA H 20 4.579 4.416 0.163 1
1 117 . 3 1 1 A 20 20 HIS C C 20 174.670 175.600 -0.930 1
1 118 . 3 1 1 A 20 20 HIS CA C 20 57.354 59.249 -1.895 1
1 119 . 3 1 1 A 20 20 HIS CB C 20 30.787 29.464 1.323 1
1 122 . 3 1 1 A 20 20 HIS N N 20 126.154 118.841 7.313 1
1 123 . 3 1 1 A 21 21 CYS H H 21 7.972 8.141 -0.169 1
1 124 . 3 1 1 A 21 21 CYS HA H 21 4.947 4.903 0.044 1
1 127 . 3 1 1 A 21 21 CYS C C 21 172.879 173.584 -0.705 1
1 128 . 3 1 1 A 21 21 CYS CA C 21 58.891 56.641 2.250 1
1 129 . 3 1 1 A 21 21 CYS CB C 21 29.766 30.433 -0.667 1
1 130 . 3 1 1 A 21 21 CYS N N 21 119.638 114.780 4.858 1
1 131 . 3 1 1 A 22 22 ASP H H 22 8.167 8.781 -0.614 1
1 132 . 3 1 1 A 22 22 ASP HA H 22 4.668 4.846 -0.178 1
1 135 . 3 1 1 A 22 22 ASP C C 22 176.857 174.592 2.265 1
1 136 . 3 1 1 A 22 22 ASP CA C 22 54.587 52.958 1.629 1
1 137 . 3 1 1 A 22 22 ASP CB C 22 40.758 39.985 0.773 1
1 138 . 3 1 1 A 22 22 ASP N N 22 115.180 122.279 -7.099 1
1 139 . 3 1 1 A 23 23 LYS H H 23 8.407 7.584 0.823 1
1 140 . 3 1 1 A 23 23 LYS HA H 23 4.085 4.715 -0.630 1
1 148 . 3 1 1 A 23 23 LYS C C 23 175.732 175.943 -0.211 1
1 149 . 3 1 1 A 23 23 LYS CA C 23 57.537 54.468 3.069 1
1 150 . 3 1 1 A 23 23 LYS CB C 23 33.593 35.193 -1.600 1
1 154 . 3 1 1 A 23 23 LYS N N 23 122.302 122.222 0.080 1
1 155 . 3 1 1 A 24 24 THR H H 24 7.462 8.426 -0.964 1
1 156 . 3 1 1 A 24 24 THR HA H 24 5.018 5.678 -0.660 1
1 161 . 3 1 1 A 24 24 THR C C 24 173.047 172.726 0.321 1
1 162 . 3 1 1 A 24 24 THR CA C 24 59.500 58.799 0.701 1
1 163 . 3 1 1 A 24 24 THR CB C 24 71.795 72.302 -0.507 1
1 165 . 3 1 1 A 24 24 THR N N 24 110.405 111.847 -1.442 1
1 166 . 3 1 1 A 25 25 PHE H H 25 8.750 8.908 -0.158 1
1 167 . 3 1 1 A 25 25 PHE HA H 25 4.886 4.910 -0.024 1
1 175 . 3 1 1 A 25 25 PHE C C 25 175.982 175.839 0.143 1
1 176 . 3 1 1 A 25 25 PHE CA C 25 57.301 56.490 0.811 1
1 177 . 3 1 1 A 25 25 PHE CB C 25 44.782 43.469 1.313 1
1 183 . 3 1 1 A 25 25 PHE N N 25 116.161 117.785 -1.624 1
1 184 . 3 1 1 A 26 26 ARG HA H 26 4.550 4.304 0.246 1
1 191 . 3 1 1 A 26 26 ARG C C 26 175.820 176.082 -0.262 1
1 192 . 3 1 1 A 26 26 ARG CA C 26 57.830 59.055 -1.225 1
1 193 . 3 1 1 A 26 26 ARG CB C 26 31.465 30.194 1.271 1
1 196 . 3 1 1 A 27 27 GLN H H 27 7.052 8.030 -0.978 1
1 197 . 3 1 1 A 27 27 GLN HA H 27 4.820 4.457 0.363 1
1 204 . 3 1 1 A 27 27 GLN C C 27 175.929 175.799 0.130 1
1 205 . 3 1 1 A 27 27 GLN CA C 27 53.971 54.374 -0.403 1
1 206 . 3 1 1 A 27 27 GLN CB C 27 32.968 30.911 2.057 1
1 208 . 3 1 1 A 27 27 GLN N N 27 111.833 118.119 -6.286 1
1 210 . 3 1 1 A 28 28 LYS H H 28 8.616 8.277 0.339 1
1 211 . 3 1 1 A 28 28 LYS HA H 28 3.013 3.109 -0.096 1
1 220 . 3 1 1 A 28 28 LYS C C 28 177.891 177.920 -0.029 1
1 221 . 3 1 1 A 28 28 LYS CA C 28 59.351 59.925 -0.574 1
1 222 . 3 1 1 A 28 28 LYS CB C 28 31.901 31.724 0.177 1
1 226 . 3 1 1 A 28 28 LYS N N 28 127.969 124.163 3.806 1
1 227 . 3 1 1 A 29 29 GLN H H 29 9.039 7.718 1.321 1
1 228 . 3 1 1 A 29 29 GLN HA H 29 4.110 3.896 0.214 1
1 235 . 3 1 1 A 29 29 GLN C C 29 178.275 178.188 0.087 1
1 236 . 3 1 1 A 29 29 GLN CA C 29 59.073 58.813 0.260 1
1 237 . 3 1 1 A 29 29 GLN CB C 29 27.673 28.476 -0.803 1
1 239 . 3 1 1 A 29 29 GLN N N 29 116.426 118.814 -2.388 1
1 241 . 3 1 1 A 30 30 LEU H H 30 6.687 7.864 -1.177 1
1 242 . 3 1 1 A 30 30 LEU HA H 30 4.105 3.813 0.292 1
1 252 . 3 1 1 A 30 30 LEU C C 30 179.455 178.926 0.529 1
1 253 . 3 1 1 A 30 30 LEU CA C 30 56.878 57.580 -0.702 1
1 254 . 3 1 1 A 30 30 LEU CB C 30 41.552 42.008 -0.456 1
1 258 . 3 1 1 A 30 30 LEU N N 30 116.469 119.634 -3.165 1
1 259 . 3 1 1 A 31 31 LEU H H 31 6.875 7.469 -0.594 1
1 260 . 3 1 1 A 31 31 LEU HA H 31 3.174 2.520 0.654 1
1 270 . 3 1 1 A 31 31 LEU C C 31 177.599 177.836 -0.237 1
1 271 . 3 1 1 A 31 31 LEU CA C 31 57.829 56.762 1.067 1
1 272 . 3 1 1 A 31 31 LEU CB C 31 39.945 40.798 -0.853 1
1 276 . 3 1 1 A 31 31 LEU N N 31 122.863 119.271 3.592 1
1 277 . 3 1 1 A 32 32 ASP H H 32 8.429 7.967 0.462 1
1 278 . 3 1 1 A 32 32 ASP HA H 32 4.356 4.237 0.119 1
1 281 . 3 1 1 A 32 32 ASP C C 32 179.142 178.052 1.090 1
1 282 . 3 1 1 A 32 32 ASP CA C 32 57.830 57.038 0.792 1
1 283 . 3 1 1 A 32 32 ASP CB C 32 39.978 40.980 -1.002 1
1 284 . 3 1 1 A 32 32 ASP N N 32 120.350 119.101 1.249 1
1 285 . 3 1 1 A 33 33 MET H H 33 7.738 8.396 -0.658 1
1 286 . 3 1 1 A 33 33 MET HA H 33 4.167 3.758 0.409 1
1 294 . 3 1 1 A 33 33 MET C C 33 178.463 178.074 0.389 1
1 295 . 3 1 1 A 33 33 MET CA C 33 58.454 57.821 0.633 1
1 296 . 3 1 1 A 33 33 MET CB C 33 32.924 32.199 0.725 1
1 299 . 3 1 1 A 33 33 MET N N 33 118.109 118.671 -0.562 1
1 300 . 3 1 1 A 34 34 HIS H H 34 7.632 7.995 -0.363 1
1 301 . 3 1 1 A 34 34 HIS HA H 34 4.396 4.252 0.144 1
1 306 . 3 1 1 A 34 34 HIS C C 34 176.258 176.823 -0.565 1
1 307 . 3 1 1 A 34 34 HIS CA C 34 59.715 59.243 0.472 1
1 308 . 3 1 1 A 34 34 HIS CB C 34 28.594 29.782 -1.188 1
1 311 . 3 1 1 A 34 34 HIS N N 34 120.242 120.642 -0.400 1
1 312 . 3 1 1 A 35 35 PHE H H 35 9.373 8.182 1.191 1
1 313 . 3 1 1 A 35 35 PHE HA H 35 3.726 3.965 -0.239 1
1 321 . 3 1 1 A 35 35 PHE C C 35 178.043 177.169 0.874 1
1 322 . 3 1 1 A 35 35 PHE CA C 35 62.870 61.130 1.740 1
1 323 . 3 1 1 A 35 35 PHE CB C 35 39.846 39.224 0.622 1
1 329 . 3 1 1 A 35 35 PHE N N 35 121.691 120.347 1.344 1
1 330 . 3 1 1 A 36 36 LYS H H 36 7.861 7.844 0.017 1
1 331 . 3 1 1 A 36 36 LYS HA H 36 4.139 4.648 -0.509 1
1 340 . 3 1 1 A 36 36 LYS C C 36 176.843 178.421 -1.578 1
1 341 . 3 1 1 A 36 36 LYS CA C 36 58.198 58.355 -0.157 1
1 342 . 3 1 1 A 36 36 LYS CB C 36 32.906 32.208 0.698 1
1 346 . 3 1 1 A 36 36 LYS N N 36 118.022 118.029 -0.007 1
1 347 . 3 1 1 A 37 37 ARG H H 37 7.298 7.560 -0.262 1
1 348 . 3 1 1 A 37 37 ARG HA H 37 3.717 4.267 -0.550 1
1 355 . 3 1 1 A 37 37 ARG C C 37 177.872 178.346 -0.474 1
1 356 . 3 1 1 A 37 37 ARG CA C 37 57.874 58.179 -0.305 1
1 357 . 3 1 1 A 37 37 ARG CB C 37 30.619 30.857 -0.238 1
1 360 . 3 1 1 A 37 37 ARG N N 37 114.740 120.408 -5.668 1
1 361 . 3 1 1 A 38 38 TYR H H 38 7.779 8.419 -0.640 1
1 362 . 3 1 1 A 38 38 TYR HA H 38 4.146 4.151 -0.005 1
1 369 . 3 1 1 A 38 38 TYR C C 38 176.160 178.603 -2.443 1
1 370 . 3 1 1 A 38 38 TYR CA C 38 59.941 60.126 -0.185 1
1 371 . 3 1 1 A 38 38 TYR CB C 38 38.516 37.896 0.620 1
1 376 . 3 1 1 A 38 38 TYR N N 38 112.257 118.817 -6.560 1
1 377 . 3 1 1 A 39 39 HIS H H 39 7.679 7.692 -0.013 1
1 378 . 3 1 1 A 39 39 HIS HA H 39 4.943 4.431 0.512 1
1 383 . 3 1 1 A 39 39 HIS C C 39 173.845 174.710 -0.865 1
1 384 . 3 1 1 A 39 39 HIS CA C 39 54.045 58.486 -4.441 1
1 385 . 3 1 1 A 39 39 HIS CB C 39 29.490 29.121 0.369 1
1 388 . 3 1 1 A 39 39 HIS N N 39 114.679 116.678 -1.999 1
1 389 . 3 1 1 A 40 40 ASP H H 40 7.317 7.852 -0.535 1
1 390 . 3 1 1 A 40 40 ASP HA H 40 4.800 4.925 -0.125 1
1 393 . 3 1 1 A 40 40 ASP C C 40 175.035 174.964 0.071 1
1 394 . 3 1 1 A 40 40 ASP CA C 40 51.697 50.691 1.006 1
1 395 . 3 1 1 A 40 40 ASP CB C 40 42.630 43.186 -0.556 1
1 396 . 3 1 1 A 40 40 ASP N N 40 119.125 117.923 1.202 1
1 397 . 3 1 1 A 41 41 PRO HA H 41 4.552 4.375 0.177 1
1 404 . 3 1 1 A 41 41 PRO C C 41 177.331 177.879 -0.548 1
1 405 . 3 1 1 A 41 41 PRO CA C 41 64.019 64.030 -0.011 1
1 406 . 3 1 1 A 41 41 PRO CB C 41 32.235 31.906 0.329 1
1 409 . 3 1 1 A 42 42 ASN H H 42 8.484 8.683 -0.199 1
1 410 . 3 1 1 A 42 42 ASN HA H 42 4.703 4.545 0.158 1
1 415 . 3 1 1 A 42 42 ASN C C 42 174.879 176.563 -1.684 1
1 416 . 3 1 1 A 42 42 ASN CA C 42 53.371 56.389 -3.018 1
1 417 . 3 1 1 A 42 42 ASN CB C 42 39.009 38.207 0.802 1
1 418 . 3 1 1 A 42 42 ASN N N 42 116.107 116.831 -0.724 1
1 420 . 3 1 1 A 43 43 PHE H H 43 7.741 7.559 0.182 1
1 421 . 3 1 1 A 43 43 PHE HA H 43 4.448 4.369 0.079 1
1 429 . 3 1 1 A 43 43 PHE CA C 43 58.640 59.860 -1.220 1
1 430 . 3 1 1 A 43 43 PHE CB C 43 40.203 39.784 0.419 1
1 436 . 3 1 1 A 43 43 PHE N N 43 121.284 118.548 2.736 1
1 437 . 3 1 1 A 44 44 VAL H H 44 7.718 8.221 -0.503 1
1 438 . 3 1 1 A 44 44 VAL HA H 44 4.221 4.813 -0.592 1
1 446 . 3 1 1 A 44 44 VAL C C 44 173.190 173.430 -0.240 1
1 447 . 3 1 1 A 44 44 VAL CA C 44 59.177 58.362 0.815 1
1 448 . 3 1 1 A 44 44 VAL CB C 44 33.260 34.812 -1.552 1
1 451 . 3 1 1 A 44 44 VAL N N 44 126.832 126.453 0.379 1
1 452 . 3 1 1 A 45 45 PRO HA H 45 4.114 4.734 -0.620 1
1 459 . 3 1 1 A 45 45 PRO C C 45 176.031 177.537 -1.506 1
1 460 . 3 1 1 A 45 45 PRO CA C 45 62.732 62.200 0.532 1
1 461 . 3 1 1 A 45 45 PRO CB C 45 32.197 32.606 -0.409 1
1 464 . 3 1 1 A 46 46 ALA H H 46 8.199 8.377 -0.178 1
1 465 . 3 1 1 A 46 46 ALA HA H 46 4.161 4.585 -0.424 1
1 469 . 3 1 1 A 46 46 ALA C C 46 176.631 176.443 0.188 1
1 470 . 3 1 1 A 46 46 ALA CA C 46 52.105 51.800 0.305 1
1 471 . 3 1 1 A 46 46 ALA CB C 46 19.315 19.738 -0.423 1
1 472 . 3 1 1 A 46 46 ALA N N 46 124.122 125.705 -1.583 1
1 473 . 3 1 1 A 47 47 ALA H H 47 7.755 8.793 -1.038 1
1 474 . 3 1 1 A 47 47 ALA HA H 47 4.218 5.144 -0.926 1
1 478 . 3 1 1 A 47 47 ALA C C 47 176.322 175.525 0.797 1
1 479 . 3 1 1 A 47 47 ALA CA C 47 52.140 50.330 1.810 1
1 480 . 3 1 1 A 47 47 ALA CB C 47 20.283 19.975 0.308 1
1 481 . 3 1 1 A 47 47 ALA N N 47 121.689 126.718 -5.029 1
1 482 . 3 1 1 A 48 48 PHE H H 48 8.323 8.692 -0.369 1
1 483 . 3 1 1 A 48 48 PHE HA H 48 4.782 5.059 -0.277 1
1 491 . 3 1 1 A 48 48 PHE C C 48 174.258 174.019 0.239 1
1 492 . 3 1 1 A 48 48 PHE CA C 48 57.108 56.917 0.191 1
1 493 . 3 1 1 A 48 48 PHE CB C 48 40.615 40.892 -0.277 1
1 499 . 3 1 1 A 48 48 PHE N N 48 118.583 121.806 -3.223 1
1 500 . 3 1 1 A 49 49 VAL H H 49 8.584 8.981 -0.397 1
1 501 . 3 1 1 A 49 49 VAL HA H 49 4.829 5.471 -0.642 1
1 509 . 3 1 1 A 49 49 VAL C C 49 175.667 173.707 1.960 1
1 510 . 3 1 1 A 49 49 VAL CA C 49 60.508 59.660 0.848 1
1 511 . 3 1 1 A 49 49 VAL CB C 49 35.158 34.592 0.566 1
1 514 . 3 1 1 A 49 49 VAL N N 49 123.555 123.039 0.516 1
1 515 . 3 1 1 A 50 50 CYS H H 50 9.170 9.392 -0.222 1
1 516 . 3 1 1 A 50 50 CYS HA H 50 4.593 4.519 0.074 1
1 519 . 3 1 1 A 50 50 CYS C C 50 177.661 175.359 2.302 1
1 520 . 3 1 1 A 50 50 CYS CA C 50 59.909 59.627 0.282 1
1 521 . 3 1 1 A 50 50 CYS CB C 50 30.835 28.600 2.235 1
1 522 . 3 1 1 A 50 50 CYS N N 50 128.866 126.050 2.816 1
1 523 . 3 1 1 A 51 51 SER H H 51 9.205 9.005 0.200 1
1 524 . 3 1 1 A 51 51 SER HA H 51 4.271 4.496 -0.225 1
1 527 . 3 1 1 A 51 51 SER C C 51 174.401 176.219 -1.818 1
1 528 . 3 1 1 A 51 51 SER CA C 51 60.890 59.508 1.382 1
1 529 . 3 1 1 A 51 51 SER CB C 51 63.231 63.972 -0.741 1
1 530 . 3 1 1 A 51 51 SER N N 51 128.162 120.740 7.422 1
1 531 . 3 1 1 A 52 52 LYS H H 52 9.118 7.400 1.718 1
1 532 . 3 1 1 A 52 52 LYS HA H 52 4.421 4.126 0.295 1
1 541 . 3 1 1 A 52 52 LYS C C 52 177.831 178.029 -0.198 1
1 542 . 3 1 1 A 52 52 LYS CA C 52 58.535 58.862 -0.327 1
1 543 . 3 1 1 A 52 52 LYS CB C 52 34.152 32.701 1.451 1
1 547 . 3 1 1 A 52 52 LYS N N 52 123.970 120.577 3.393 1
1 548 . 3 1 1 A 53 53 CYS H H 53 8.241 8.060 0.181 1
1 549 . 3 1 1 A 53 53 CYS HA H 53 4.999 4.623 0.376 1
1 552 . 3 1 1 A 53 53 CYS C C 53 176.529 175.528 1.001 1
1 553 . 3 1 1 A 53 53 CYS CA C 53 58.587 59.611 -1.024 1
1 554 . 3 1 1 A 53 53 CYS CB C 53 33.353 29.585 3.768 1
1 555 . 3 1 1 A 53 53 CYS N N 53 115.684 114.572 1.112 1
1 556 . 3 1 1 A 54 54 GLY H H 54 8.290 8.319 -0.029 1
1 557 . 3 1 1 A 54 54 GLY HA2 H 54 4.226 4.053 0.173 1
1 558 . 3 1 1 A 54 54 GLY HA3 H 54 3.733 4.065 -0.332 1
1 559 . 3 1 1 A 54 54 GLY C C 54 173.761 174.540 -0.779 1
1 560 . 3 1 1 A 54 54 GLY CA C 54 46.147 45.491 0.656 1
1 561 . 3 1 1 A 54 54 GLY N N 54 113.723 110.551 3.172 1
1 562 . 3 1 1 A 55 55 LYS H H 55 8.598 7.349 1.249 1
1 563 . 3 1 1 A 55 55 LYS HA H 55 4.074 4.379 -0.305 1
1 572 . 3 1 1 A 55 55 LYS C C 55 174.748 176.930 -2.182 1
1 573 . 3 1 1 A 55 55 LYS CA C 55 58.270 56.434 1.836 1
1 574 . 3 1 1 A 55 55 LYS CB C 55 33.778 33.471 0.307 1
1 578 . 3 1 1 A 55 55 LYS N N 55 124.175 120.194 3.981 1
1 579 . 3 1 1 A 56 56 THR H H 56 7.708 8.528 -0.820 1
1 580 . 3 1 1 A 56 56 THR HA H 56 5.028 5.032 -0.004 1
1 585 . 3 1 1 A 56 56 THR C C 56 173.673 174.317 -0.644 1
1 586 . 3 1 1 A 56 56 THR CA C 56 60.779 61.487 -0.708 1
1 587 . 3 1 1 A 56 56 THR CB C 56 70.823 70.281 0.542 1
1 589 . 3 1 1 A 56 56 THR N N 56 113.091 114.352 -1.261 1
1 590 . 3 1 1 A 57 57 PHE H H 57 8.944 9.407 -0.463 1
1 591 . 3 1 1 A 57 57 PHE HA H 57 4.850 4.948 -0.098 1
1 599 . 3 1 1 A 57 57 PHE C C 57 175.764 175.652 0.112 1
1 600 . 3 1 1 A 57 57 PHE CA C 57 56.949 56.359 0.590 1
1 601 . 3 1 1 A 57 57 PHE CB C 57 43.729 43.587 0.142 1
1 607 . 3 1 1 A 57 57 PHE N N 57 119.958 120.284 -0.326 1
1 608 . 3 1 1 A 58 58 THR HA H 58 4.629 4.639 -0.010 1
1 613 . 3 1 1 A 58 58 THR CA C 58 62.738 62.509 0.229 1
1 614 . 3 1 1 A 58 58 THR CB C 58 69.810 69.704 0.106 1
1 616 . 3 1 1 A 59 59 ARG H H 59 7.422 7.715 -0.293 1
1 617 . 3 1 1 A 59 59 ARG HA H 59 4.740 4.660 0.080 1
1 624 . 3 1 1 A 59 59 ARG CA C 59 54.724 54.360 0.364 1
1 625 . 3 1 1 A 59 59 ARG CB C 59 33.659 33.219 0.440 1
1 628 . 3 1 1 A 59 59 ARG N N 59 118.359 121.276 -2.917 1
1 629 . 3 1 1 A 60 60 ARG HA H 60 2.949 3.266 -0.317 1
1 636 . 3 1 1 A 60 60 ARG CA C 60 59.468 59.019 0.449 1
1 637 . 3 1 1 A 60 60 ARG CB C 60 29.732 29.634 0.098 1
1 640 . 3 1 1 A 61 61 ASN HA H 61 4.332 4.295 0.037 1
1 645 . 3 1 1 A 61 61 ASN C C 61 177.497 177.951 -0.454 1
1 646 . 3 1 1 A 61 61 ASN CA C 61 56.212 56.495 -0.283 1
1 647 . 3 1 1 A 61 61 ASN CB C 61 37.142 38.032 -0.890 1
1 649 . 3 1 1 A 62 62 THR H H 62 7.076 7.951 -0.875 1
1 650 . 3 1 1 A 62 62 THR HA H 62 3.893 3.933 -0.040 1
1 655 . 3 1 1 A 62 62 THR C C 62 176.684 176.112 0.572 1
1 656 . 3 1 1 A 62 62 THR CA C 62 65.025 66.716 -1.691 1
1 657 . 3 1 1 A 62 62 THR CB C 62 68.112 68.431 -0.319 1
1 659 . 3 1 1 A 62 62 THR N N 62 115.050 116.814 -1.764 1
1 660 . 3 1 1 A 63 63 MET H H 63 7.149 8.069 -0.920 1
1 661 . 3 1 1 A 63 63 MET HA H 63 2.545 3.233 -0.688 1
1 669 . 3 1 1 A 63 63 MET C C 63 176.978 177.650 -0.672 1
1 670 . 3 1 1 A 63 63 MET CA C 63 58.791 57.657 1.134 1
1 671 . 3 1 1 A 63 63 MET CB C 63 31.556 31.970 -0.414 1
1 674 . 3 1 1 A 63 63 MET N N 63 122.700 119.648 3.052 1
1 675 . 3 1 1 A 64 64 ALA H H 64 8.383 8.542 -0.159 1
1 676 . 3 1 1 A 64 64 ALA HA H 64 3.944 3.904 0.040 1
1 680 . 3 1 1 A 64 64 ALA C C 64 179.879 179.910 -0.031 1
1 681 . 3 1 1 A 64 64 ALA CA C 64 55.324 55.333 -0.009 1
1 682 . 3 1 1 A 64 64 ALA CB C 64 18.033 18.419 -0.386 1
1 683 . 3 1 1 A 64 64 ALA N N 64 122.001 121.467 0.534 1
1 684 . 3 1 1 A 65 65 ARG H H 65 7.574 7.749 -0.175 1
1 685 . 3 1 1 A 65 65 ARG HA H 65 4.139 3.993 0.146 1
1 692 . 3 1 1 A 65 65 ARG C C 65 178.946 178.829 0.117 1
1 693 . 3 1 1 A 65 65 ARG CA C 65 58.182 59.506 -1.324 1
1 694 . 3 1 1 A 65 65 ARG CB C 65 30.153 29.572 0.581 1
1 697 . 3 1 1 A 65 65 ARG N N 65 116.551 117.865 -1.314 1
1 698 . 3 1 1 A 66 66 HIS H H 66 7.455 7.948 -0.493 1
1 699 . 3 1 1 A 66 66 HIS HA H 66 4.271 4.335 -0.064 1
1 704 . 3 1 1 A 66 66 HIS C C 66 177.633 177.034 0.599 1
1 705 . 3 1 1 A 66 66 HIS CA C 66 59.046 59.927 -0.881 1
1 706 . 3 1 1 A 66 66 HIS CB C 66 27.820 29.737 -1.917 1
1 709 . 3 1 1 A 66 66 HIS N N 66 118.483 119.716 -1.233 1
1 710 . 3 1 1 A 67 67 ALA H H 67 8.869 8.474 0.395 1
1 711 . 3 1 1 A 67 67 ALA HA H 67 3.968 3.705 0.263 1
1 715 . 3 1 1 A 67 67 ALA C C 67 179.374 178.602 0.772 1
1 716 . 3 1 1 A 67 67 ALA CA C 67 55.186 55.065 0.121 1
1 717 . 3 1 1 A 67 67 ALA CB C 67 18.851 18.088 0.763 1
1 718 . 3 1 1 A 67 67 ALA N N 67 122.114 120.769 1.345 1
1 719 . 3 1 1 A 68 68 ASP H H 68 7.476 8.047 -0.571 1
1 720 . 3 1 1 A 68 68 ASP HA H 68 4.401 4.279 0.122 1
1 723 . 3 1 1 A 68 68 ASP C C 68 176.580 178.010 -1.430 1
1 724 . 3 1 1 A 68 68 ASP CA C 68 56.772 57.638 -0.866 1
1 725 . 3 1 1 A 68 68 ASP CB C 68 40.945 41.706 -0.761 1
1 726 . 3 1 1 A 68 68 ASP N N 68 116.466 118.765 -2.299 1
1 727 . 3 1 1 A 69 69 ASN H H 69 7.227 7.329 -0.102 1
1 728 . 3 1 1 A 69 69 ASN HA H 69 4.905 4.743 0.162 1
1 733 . 3 1 1 A 69 69 ASN C C 69 173.603 174.846 -1.243 1
1 734 . 3 1 1 A 69 69 ASN CA C 69 52.518 53.775 -1.257 1
1 735 . 3 1 1 A 69 69 ASN CB C 69 40.657 38.855 1.802 1
1 736 . 3 1 1 A 69 69 ASN N N 69 114.158 114.495 -0.337 1
1 738 . 3 1 1 A 70 70 CYS H H 70 7.201 7.106 0.095 1
1 739 . 3 1 1 A 70 70 CYS HA H 70 3.902 4.259 -0.357 1
1 742 . 3 1 1 A 70 70 CYS C C 70 175.424 174.275 1.149 1
1 743 . 3 1 1 A 70 70 CYS CA C 70 61.195 59.042 2.153 1
1 744 . 3 1 1 A 70 70 CYS CB C 70 29.288 28.683 0.605 1
1 745 . 3 1 1 A 70 70 CYS N N 70 124.154 120.268 3.886 1
1 746 . 3 1 1 A 71 71 ALA H H 71 8.783 8.778 0.005 1
1 747 . 3 1 1 A 71 71 ALA HA H 71 4.562 4.586 -0.024 1
1 751 . 3 1 1 A 71 71 ALA C C 71 177.513 176.745 0.768 1
1 752 . 3 1 1 A 71 71 ALA CA C 71 51.926 51.752 0.174 1
1 753 . 3 1 1 A 71 71 ALA CB C 71 19.698 21.031 -1.333 1
1 754 . 3 1 1 A 71 71 ALA N N 71 131.493 125.426 6.067 1
1 755 . 3 1 1 A 72 72 GLY H H 72 8.645 7.306 1.339 1
1 756 . 3 1 1 A 72 72 GLY HA2 H 72 4.469 4.109 0.360 1
1 757 . 3 1 1 A 72 72 GLY HA3 H 72 3.628 4.113 -0.485 1
1 758 . 3 1 1 A 72 72 GLY C C 72 171.320 174.011 -2.691 1
1 759 . 3 1 1 A 72 72 GLY CA C 72 44.286 44.176 0.110 1
1 760 . 3 1 1 A 72 72 GLY N N 72 110.083 103.911 6.172 1
1 761 . 3 1 1 A 73 73 PRO HA H 73 4.470 4.545 -0.075 1
1 768 . 3 1 1 A 73 73 PRO C C 73 176.905 176.004 0.901 1
1 769 . 3 1 1 A 73 73 PRO CA C 73 63.706 64.187 -0.481 1
1 770 . 3 1 1 A 73 73 PRO CB C 73 32.344 31.800 0.544 1
1 773 . 3 1 1 A 74 74 ASP H H 74 8.506 8.117 0.389 1
1 774 . 3 1 1 A 74 74 ASP HA H 74 4.659 4.692 -0.033 1
1 777 . 3 1 1 A 74 74 ASP C C 74 176.869 175.966 0.903 1
1 778 . 3 1 1 A 74 74 ASP CA C 74 54.617 54.099 0.518 1
1 779 . 3 1 1 A 74 74 ASP CB C 74 41.335 40.974 0.361 1
1 780 . 3 1 1 A 74 74 ASP N N 74 120.155 119.283 0.872 1
1 781 . 3 1 1 A 75 75 GLY H H 75 8.257 8.451 -0.194 1
1 782 . 3 1 1 A 75 75 GLY HA2 H 75 4.072 4.220 -0.148 1
1 783 . 3 1 1 A 75 75 GLY HA3 H 75 3.965 4.235 -0.270 1
1 784 . 3 1 1 A 75 75 GLY C C 75 174.256 172.119 2.137 1
1 785 . 3 1 1 A 75 75 GLY CA C 75 45.653 45.782 -0.129 1
1 786 . 3 1 1 A 75 75 GLY N N 75 108.913 110.821 -1.908 1
1 787 . 3 1 1 A 76 76 VAL H H 76 8.079 8.701 -0.622 1
1 788 . 3 1 1 A 76 76 VAL HA H 76 4.169 4.481 -0.312 1
1 796 . 3 1 1 A 76 76 VAL C C 76 176.347 175.033 1.314 1
1 797 . 3 1 1 A 76 76 VAL CA C 76 62.295 60.568 1.727 1
1 798 . 3 1 1 A 76 76 VAL CB C 76 32.871 34.513 -1.642 1
1 801 . 3 1 1 A 76 76 VAL N N 76 119.508 122.032 -2.524 1
1 802 . 3 1 1 A 77 77 GLU H H 77 8.619 9.264 -0.645 1
1 803 . 3 1 1 A 77 77 GLU HA H 77 4.310 4.036 0.274 1
1 808 . 3 1 1 A 77 77 GLU C C 77 177.046 177.083 -0.037 1
1 809 . 3 1 1 A 77 77 GLU CA C 77 56.966 57.286 -0.320 1
1 810 . 3 1 1 A 77 77 GLU CB C 77 30.318 28.771 1.547 1
1 812 . 3 1 1 A 77 77 GLU N N 77 125.001 127.629 -2.628 1
1 813 . 3 1 1 A 78 78 GLY H H 78 8.446 7.909 0.537 1
1 814 . 3 1 1 A 78 78 GLY HA2 H 78 3.987 3.895 0.092 1
1 815 . 3 1 1 A 78 78 GLY HA3 H 78 3.987 3.897 0.090 1
1 816 . 3 1 1 A 78 78 GLY C C 78 174.238 174.499 -0.261 1
1 817 . 3 1 1 A 78 78 GLY CA C 78 45.283 47.267 -1.984 1
1 818 . 3 1 1 A 78 78 GLY N N 78 110.357 108.507 1.850 1
1 819 . 3 1 1 A 79 79 GLU H H 79 8.313 7.656 0.657 1
1 820 . 3 1 1 A 79 79 GLU HA H 79 4.309 4.675 -0.366 1
1 825 . 3 1 1 A 79 79 GLU C C 79 176.509 174.631 1.878 1
1 826 . 3 1 1 A 79 79 GLU CA C 79 56.755 55.182 1.573 1
1 827 . 3 1 1 A 79 79 GLU CB C 79 30.317 31.698 -1.381 1
1 829 . 3 1 1 A 79 79 GLU N N 79 120.638 112.631 8.007 1
1 830 . 3 1 1 A 80 80 ASN H H 80 8.588 8.495 0.093 1
1 831 . 3 1 1 A 80 80 ASN HA H 80 4.801 5.034 -0.233 1
1 834 . 3 1 1 A 80 80 ASN C C 80 175.202 176.407 -1.205 1
1 835 . 3 1 1 A 80 80 ASN CA C 80 53.336 50.848 2.488 1
1 836 . 3 1 1 A 80 80 ASN CB C 80 39.051 39.799 -0.748 1
1 837 . 3 1 1 A 80 80 ASN N N 80 119.808 119.465 0.343 1
1 838 . 3 1 1 A 81 81 SER H H 81 8.322 8.712 -0.390 1
1 839 . 3 1 1 A 81 81 SER HA H 81 4.517 4.109 0.408 1
1 842 . 3 1 1 A 81 81 SER C C 81 174.643 175.411 -0.768 1
1 843 . 3 1 1 A 81 81 SER CA C 81 58.499 61.925 -3.426 1
1 844 . 3 1 1 A 81 81 SER CB C 81 64.056 63.465 0.591 1
1 845 . 3 1 1 A 81 81 SER N N 81 116.318 114.196 2.122 1
1 846 . 3 1 1 A 82 82 GLY H H 82 8.303 7.784 0.519 1
1 847 . 3 1 1 A 82 82 GLY HA2 H 82 4.170 4.093 0.077 1
1 848 . 3 1 1 A 82 82 GLY HA3 H 82 4.125 4.094 0.031 1
1 849 . 3 1 1 A 82 82 GLY C C 82 171.855 173.577 -1.722 1
1 850 . 3 1 1 A 82 82 GLY CA C 82 44.719 44.884 -0.165 1
1 851 . 3 1 1 A 82 82 GLY N N 82 110.706 107.103 3.603 1
1 852 . 3 1 1 A 83 83 PRO HA H 83 4.498 4.620 -0.122 1
1 859 . 3 1 1 A 83 83 PRO C C 83 177.459 175.348 2.111 1
1 860 . 3 1 1 A 83 83 PRO CA C 83 63.274 62.435 0.839 1
1 861 . 3 1 1 A 83 83 PRO CB C 83 32.254 32.993 -0.739 1
1 864 . 3 1 1 A 84 84 SER H H 84 8.541 8.614 -0.073 1
1 865 . 3 1 1 A 84 84 SER HA H 84 4.508 5.249 -0.741 1
1 868 . 3 1 1 A 84 84 SER C C 84 174.744 171.882 2.862 1
1 869 . 3 1 1 A 84 84 SER CA C 84 58.412 56.501 1.911 1
1 870 . 3 1 1 A 84 84 SER CB C 84 64.056 66.919 -2.863 1
1 871 . 3 1 1 A 84 84 SER N N 84 116.449 116.231 0.218 1
1 872 . 3 1 1 A 85 85 SER H H 85 8.353 8.886 -0.533 1
1 873 . 3 1 1 A 85 85 SER HA H 85 4.517 4.713 -0.196 1
1 876 . 3 1 1 A 85 85 SER C C 85 173.953 172.701 1.252 1
1 877 . 3 1 1 A 85 85 SER CA C 85 58.492 56.669 1.823 1
1 878 . 3 1 1 A 85 85 SER CB C 85 64.138 65.473 -1.335 1
1 879 . 3 1 1 A 85 85 SER N N 85 117.940 117.950 -0.010 1
1 1 . 4 1 1 A 8 8 ARG HA H 8 4.432 3.957 0.475 1
1 7 . 4 1 1 A 8 8 ARG CA C 8 56.069 59.326 -3.257 1
1 8 . 4 1 1 A 8 8 ARG CB C 8 30.974 30.041 0.933 1
1 14 . 4 1 1 A 9 9 THR CB C 9 69.816 69.918 -0.102 1
1 16 . 4 1 1 A 10 10 HIS HA H 10 4.730 5.338 -0.608 1
1 21 . 4 1 1 A 10 10 HIS CA C 10 56.345 53.927 2.418 1
1 22 . 4 1 1 A 10 10 HIS CB C 10 31.058 34.225 -3.167 1
1 28 . 4 1 1 A 11 11 THR CB C 11 69.816 71.554 -1.738 1
1 30 . 4 1 1 A 12 12 GLY HA2 H 12 3.978 4.121 -0.143 1
1 31 . 4 1 1 A 12 12 GLY HA3 H 12 3.978 4.128 -0.150 1
1 32 . 4 1 1 A 12 12 GLY CA C 12 45.442 43.921 1.521 1
1 33 . 4 1 1 A 13 13 GLU H H 13 8.243 8.437 -0.194 1
1 34 . 4 1 1 A 13 13 GLU HA H 13 4.235 5.154 -0.919 1
1 39 . 4 1 1 A 13 13 GLU CA C 13 56.898 54.296 2.602 1
1 40 . 4 1 1 A 13 13 GLU CB C 13 30.495 33.773 -3.278 1
1 42 . 4 1 1 A 13 13 GLU N N 13 120.364 117.508 2.856 1
1 43 . 4 1 1 A 14 14 LYS H H 14 8.276 8.620 -0.344 1
1 44 . 4 1 1 A 14 14 LYS HA H 14 4.528 5.027 -0.499 1
1 53 . 4 1 1 A 14 14 LYS CA C 14 54.009 52.861 1.148 1
1 54 . 4 1 1 A 14 14 LYS CB C 14 32.667 33.428 -0.761 1
1 58 . 4 1 1 A 14 14 LYS N N 14 121.981 121.294 0.687 1
1 59 . 4 1 1 A 15 15 PRO HA H 15 4.347 4.396 -0.049 1
1 66 . 4 1 1 A 15 15 PRO CA C 15 63.237 64.801 -1.564 1
1 67 . 4 1 1 A 15 15 PRO CB C 15 32.365 31.760 0.605 1
1 70 . 4 1 1 A 16 16 TYR H H 16 8.234 7.425 0.809 1
1 71 . 4 1 1 A 16 16 TYR HA H 16 4.508 4.705 -0.197 1
1 78 . 4 1 1 A 16 16 TYR C C 16 174.453 174.861 -0.408 1
1 79 . 4 1 1 A 16 16 TYR CA C 16 58.076 57.505 0.571 1
1 80 . 4 1 1 A 16 16 TYR CB C 16 38.346 37.877 0.469 1
1 85 . 4 1 1 A 16 16 TYR N N 16 118.751 117.929 0.822 1
1 86 . 4 1 1 A 17 17 ALA H H 17 8.567 9.021 -0.454 1
1 87 . 4 1 1 A 17 17 ALA HA H 17 4.754 5.379 -0.625 1
1 91 . 4 1 1 A 17 17 ALA C C 17 176.249 176.748 -0.499 1
1 92 . 4 1 1 A 17 17 ALA CA C 17 51.274 50.580 0.694 1
1 93 . 4 1 1 A 17 17 ALA CB C 17 20.625 21.033 -0.408 1
1 94 . 4 1 1 A 17 17 ALA N N 17 127.897 128.064 -0.167 1
1 95 . 4 1 1 A 18 18 CYS H H 18 8.464 8.817 -0.353 1
1 96 . 4 1 1 A 18 18 CYS HA H 18 4.538 4.523 0.015 1
1 99 . 4 1 1 A 18 18 CYS C C 18 175.739 175.368 0.371 1
1 100 . 4 1 1 A 18 18 CYS CA C 18 60.966 60.287 0.679 1
1 101 . 4 1 1 A 18 18 CYS CB C 18 29.435 28.827 0.608 1
1 102 . 4 1 1 A 18 18 CYS N N 18 125.366 123.448 1.918 1
1 103 . 4 1 1 A 19 19 SER H H 19 8.439 9.042 -0.603 1
1 104 . 4 1 1 A 19 19 SER HA H 19 4.426 4.240 0.186 1
1 107 . 4 1 1 A 19 19 SER C C 19 175.890 176.346 -0.456 1
1 108 . 4 1 1 A 19 19 SER CA C 19 60.085 62.401 -2.316 1
1 109 . 4 1 1 A 19 19 SER CB C 19 64.097 63.714 0.383 1
1 110 . 4 1 1 A 19 19 SER N N 19 121.912 122.198 -0.286 1
1 111 . 4 1 1 A 20 20 HIS H H 20 9.949 8.475 1.474 1
1 112 . 4 1 1 A 20 20 HIS HA H 20 4.579 4.366 0.213 1
1 117 . 4 1 1 A 20 20 HIS C C 20 174.670 175.646 -0.976 1
1 118 . 4 1 1 A 20 20 HIS CA C 20 57.354 58.269 -0.915 1
1 119 . 4 1 1 A 20 20 HIS CB C 20 30.787 29.418 1.369 1
1 122 . 4 1 1 A 20 20 HIS N N 20 126.154 118.503 7.651 1
1 123 . 4 1 1 A 21 21 CYS H H 21 7.972 8.021 -0.049 1
1 124 . 4 1 1 A 21 21 CYS HA H 21 4.947 4.912 0.035 1
1 127 . 4 1 1 A 21 21 CYS C C 21 172.879 174.392 -1.513 1
1 128 . 4 1 1 A 21 21 CYS CA C 21 58.891 56.718 2.173 1
1 129 . 4 1 1 A 21 21 CYS CB C 21 29.766 30.688 -0.922 1
1 130 . 4 1 1 A 21 21 CYS N N 21 119.638 114.827 4.811 1
1 131 . 4 1 1 A 22 22 ASP H H 22 8.167 8.732 -0.565 1
1 132 . 4 1 1 A 22 22 ASP HA H 22 4.668 4.876 -0.208 1
1 135 . 4 1 1 A 22 22 ASP C C 22 176.857 176.145 0.712 1
1 136 . 4 1 1 A 22 22 ASP CA C 22 54.587 53.116 1.471 1
1 137 . 4 1 1 A 22 22 ASP CB C 22 40.758 41.190 -0.432 1
1 138 . 4 1 1 A 22 22 ASP N N 22 115.180 121.647 -6.467 1
1 139 . 4 1 1 A 23 23 LYS H H 23 8.407 7.650 0.757 1
1 140 . 4 1 1 A 23 23 LYS HA H 23 4.085 4.323 -0.238 1
1 148 . 4 1 1 A 23 23 LYS C C 23 175.732 175.970 -0.238 1
1 149 . 4 1 1 A 23 23 LYS CA C 23 57.537 55.440 2.097 1
1 150 . 4 1 1 A 23 23 LYS CB C 23 33.593 33.759 -0.166 1
1 154 . 4 1 1 A 23 23 LYS N N 23 122.302 120.005 2.297 1
1 155 . 4 1 1 A 24 24 THR H H 24 7.462 8.502 -1.040 1
1 156 . 4 1 1 A 24 24 THR HA H 24 5.018 5.496 -0.478 1
1 161 . 4 1 1 A 24 24 THR C C 24 173.047 172.640 0.407 1
1 162 . 4 1 1 A 24 24 THR CA C 24 59.500 59.104 0.396 1
1 163 . 4 1 1 A 24 24 THR CB C 24 71.795 72.192 -0.397 1
1 165 . 4 1 1 A 24 24 THR N N 24 110.405 111.910 -1.505 1
1 166 . 4 1 1 A 25 25 PHE H H 25 8.750 8.641 0.109 1
1 167 . 4 1 1 A 25 25 PHE HA H 25 4.886 4.957 -0.071 1
1 175 . 4 1 1 A 25 25 PHE C C 25 175.982 175.383 0.599 1
1 176 . 4 1 1 A 25 25 PHE CA C 25 57.301 56.512 0.789 1
1 177 . 4 1 1 A 25 25 PHE CB C 25 44.782 43.453 1.329 1
1 183 . 4 1 1 A 25 25 PHE N N 25 116.161 117.987 -1.826 1
1 184 . 4 1 1 A 26 26 ARG HA H 26 4.550 4.380 0.170 1
1 191 . 4 1 1 A 26 26 ARG C C 26 175.820 175.714 0.106 1
1 192 . 4 1 1 A 26 26 ARG CA C 26 57.830 58.534 -0.704 1
1 193 . 4 1 1 A 26 26 ARG CB C 26 31.465 31.164 0.301 1
1 196 . 4 1 1 A 27 27 GLN H H 27 7.052 7.825 -0.773 1
1 197 . 4 1 1 A 27 27 GLN HA H 27 4.820 4.298 0.522 1
1 204 . 4 1 1 A 27 27 GLN C C 27 175.929 175.919 0.010 1
1 205 . 4 1 1 A 27 27 GLN CA C 27 53.971 54.557 -0.586 1
1 206 . 4 1 1 A 27 27 GLN CB C 27 32.968 30.292 2.676 1
1 208 . 4 1 1 A 27 27 GLN N N 27 111.833 117.423 -5.590 1
1 210 . 4 1 1 A 28 28 LYS H H 28 8.616 8.353 0.263 1
1 211 . 4 1 1 A 28 28 LYS HA H 28 3.013 3.298 -0.285 1
1 220 . 4 1 1 A 28 28 LYS C C 28 177.891 177.766 0.125 1
1 221 . 4 1 1 A 28 28 LYS CA C 28 59.351 59.740 -0.389 1
1 222 . 4 1 1 A 28 28 LYS CB C 28 31.901 31.942 -0.041 1
1 226 . 4 1 1 A 28 28 LYS N N 28 127.969 124.464 3.505 1
1 227 . 4 1 1 A 29 29 GLN H H 29 9.039 7.762 1.277 1
1 228 . 4 1 1 A 29 29 GLN HA H 29 4.110 3.899 0.211 1
1 235 . 4 1 1 A 29 29 GLN C C 29 178.275 178.100 0.175 1
1 236 . 4 1 1 A 29 29 GLN CA C 29 59.073 58.799 0.274 1
1 237 . 4 1 1 A 29 29 GLN CB C 29 27.673 28.309 -0.636 1
1 239 . 4 1 1 A 29 29 GLN N N 29 116.426 118.297 -1.871 1
1 241 . 4 1 1 A 30 30 LEU H H 30 6.687 7.729 -1.042 1
1 242 . 4 1 1 A 30 30 LEU HA H 30 4.105 3.827 0.278 1
1 252 . 4 1 1 A 30 30 LEU C C 30 179.455 178.750 0.705 1
1 253 . 4 1 1 A 30 30 LEU CA C 30 56.878 57.420 -0.542 1
1 254 . 4 1 1 A 30 30 LEU CB C 30 41.552 41.816 -0.264 1
1 258 . 4 1 1 A 30 30 LEU N N 30 116.469 119.946 -3.477 1
1 259 . 4 1 1 A 31 31 LEU H H 31 6.875 7.508 -0.633 1
1 260 . 4 1 1 A 31 31 LEU HA H 31 3.174 2.540 0.634 1
1 270 . 4 1 1 A 31 31 LEU C C 31 177.599 178.077 -0.478 1
1 271 . 4 1 1 A 31 31 LEU CA C 31 57.829 57.128 0.701 1
1 272 . 4 1 1 A 31 31 LEU CB C 31 39.945 40.684 -0.739 1
1 276 . 4 1 1 A 31 31 LEU N N 31 122.863 119.291 3.572 1
1 277 . 4 1 1 A 32 32 ASP H H 32 8.429 8.217 0.212 1
1 278 . 4 1 1 A 32 32 ASP HA H 32 4.356 4.243 0.113 1
1 281 . 4 1 1 A 32 32 ASP C C 32 179.142 178.164 0.978 1
1 282 . 4 1 1 A 32 32 ASP CA C 32 57.830 57.059 0.771 1
1 283 . 4 1 1 A 32 32 ASP CB C 32 39.978 40.942 -0.964 1
1 284 . 4 1 1 A 32 32 ASP N N 32 120.350 119.125 1.225 1
1 285 . 4 1 1 A 33 33 MET H H 33 7.738 8.501 -0.763 1
1 286 . 4 1 1 A 33 33 MET HA H 33 4.167 3.679 0.488 1
1 294 . 4 1 1 A 33 33 MET C C 33 178.463 177.999 0.464 1
1 295 . 4 1 1 A 33 33 MET CA C 33 58.454 57.635 0.819 1
1 296 . 4 1 1 A 33 33 MET CB C 33 32.924 32.092 0.832 1
1 299 . 4 1 1 A 33 33 MET N N 33 118.109 118.589 -0.480 1
1 300 . 4 1 1 A 34 34 HIS H H 34 7.632 7.836 -0.204 1
1 301 . 4 1 1 A 34 34 HIS HA H 34 4.396 4.228 0.168 1
1 306 . 4 1 1 A 34 34 HIS C C 34 176.258 176.863 -0.605 1
1 307 . 4 1 1 A 34 34 HIS CA C 34 59.715 59.105 0.610 1
1 308 . 4 1 1 A 34 34 HIS CB C 34 28.594 29.783 -1.189 1
1 311 . 4 1 1 A 34 34 HIS N N 34 120.242 120.664 -0.422 1
1 312 . 4 1 1 A 35 35 PHE H H 35 9.373 7.734 1.639 1
1 313 . 4 1 1 A 35 35 PHE HA H 35 3.726 3.944 -0.218 1
1 321 . 4 1 1 A 35 35 PHE C C 35 178.043 177.284 0.759 1
1 322 . 4 1 1 A 35 35 PHE CA C 35 62.870 61.175 1.695 1
1 323 . 4 1 1 A 35 35 PHE CB C 35 39.846 39.309 0.537 1
1 329 . 4 1 1 A 35 35 PHE N N 35 121.691 120.180 1.511 1
1 330 . 4 1 1 A 36 36 LYS H H 36 7.861 7.853 0.008 1
1 331 . 4 1 1 A 36 36 LYS HA H 36 4.139 4.456 -0.317 1
1 340 . 4 1 1 A 36 36 LYS C C 36 176.843 178.440 -1.597 1
1 341 . 4 1 1 A 36 36 LYS CA C 36 58.198 58.441 -0.243 1
1 342 . 4 1 1 A 36 36 LYS CB C 36 32.906 32.224 0.682 1
1 346 . 4 1 1 A 36 36 LYS N N 36 118.022 117.933 0.089 1
1 347 . 4 1 1 A 37 37 ARG H H 37 7.298 7.877 -0.579 1
1 348 . 4 1 1 A 37 37 ARG HA H 37 3.717 4.421 -0.704 1
1 355 . 4 1 1 A 37 37 ARG C C 37 177.872 178.323 -0.451 1
1 356 . 4 1 1 A 37 37 ARG CA C 37 57.874 58.214 -0.340 1
1 357 . 4 1 1 A 37 37 ARG CB C 37 30.619 30.923 -0.304 1
1 360 . 4 1 1 A 37 37 ARG N N 37 114.740 120.429 -5.689 1
1 361 . 4 1 1 A 38 38 TYR H H 38 7.779 8.352 -0.573 1
1 362 . 4 1 1 A 38 38 TYR HA H 38 4.146 4.135 0.011 1
1 369 . 4 1 1 A 38 38 TYR C C 38 176.160 178.549 -2.389 1
1 370 . 4 1 1 A 38 38 TYR CA C 38 59.941 60.145 -0.204 1
1 371 . 4 1 1 A 38 38 TYR CB C 38 38.516 38.027 0.489 1
1 376 . 4 1 1 A 38 38 TYR N N 38 112.257 118.814 -6.557 1
1 377 . 4 1 1 A 39 39 HIS H H 39 7.679 7.703 -0.024 1
1 378 . 4 1 1 A 39 39 HIS HA H 39 4.943 4.434 0.509 1
1 383 . 4 1 1 A 39 39 HIS C C 39 173.845 174.781 -0.936 1
1 384 . 4 1 1 A 39 39 HIS CA C 39 54.045 58.337 -4.292 1
1 385 . 4 1 1 A 39 39 HIS CB C 39 29.490 28.995 0.495 1
1 388 . 4 1 1 A 39 39 HIS N N 39 114.679 116.567 -1.888 1
1 389 . 4 1 1 A 40 40 ASP H H 40 7.317 7.745 -0.428 1
1 390 . 4 1 1 A 40 40 ASP HA H 40 4.800 4.928 -0.128 1
1 393 . 4 1 1 A 40 40 ASP C C 40 175.035 175.031 0.004 1
1 394 . 4 1 1 A 40 40 ASP CA C 40 51.697 50.592 1.105 1
1 395 . 4 1 1 A 40 40 ASP CB C 40 42.630 43.339 -0.709 1
1 396 . 4 1 1 A 40 40 ASP N N 40 119.125 117.445 1.680 1
1 397 . 4 1 1 A 41 41 PRO HA H 41 4.552 4.396 0.156 1
1 404 . 4 1 1 A 41 41 PRO C C 41 177.331 177.610 -0.279 1
1 405 . 4 1 1 A 41 41 PRO CA C 41 64.019 64.098 -0.079 1
1 406 . 4 1 1 A 41 41 PRO CB C 41 32.235 31.820 0.415 1
1 409 . 4 1 1 A 42 42 ASN H H 42 8.484 8.773 -0.289 1
1 410 . 4 1 1 A 42 42 ASN HA H 42 4.703 4.520 0.183 1
1 415 . 4 1 1 A 42 42 ASN C C 42 174.879 176.606 -1.727 1
1 416 . 4 1 1 A 42 42 ASN CA C 42 53.371 56.404 -3.033 1
1 417 . 4 1 1 A 42 42 ASN CB C 42 39.009 38.470 0.539 1
1 418 . 4 1 1 A 42 42 ASN N N 42 116.107 116.818 -0.711 1
1 420 . 4 1 1 A 43 43 PHE H H 43 7.741 7.719 0.022 1
1 421 . 4 1 1 A 43 43 PHE HA H 43 4.448 4.500 -0.052 1
1 429 . 4 1 1 A 43 43 PHE CA C 43 58.640 59.700 -1.060 1
1 430 . 4 1 1 A 43 43 PHE CB C 43 40.203 39.596 0.607 1
1 436 . 4 1 1 A 43 43 PHE N N 43 121.284 118.689 2.595 1
1 437 . 4 1 1 A 44 44 VAL H H 44 7.718 8.250 -0.532 1
1 438 . 4 1 1 A 44 44 VAL HA H 44 4.221 4.837 -0.616 1
1 446 . 4 1 1 A 44 44 VAL C C 44 173.190 173.633 -0.443 1
1 447 . 4 1 1 A 44 44 VAL CA C 44 59.177 58.412 0.765 1
1 448 . 4 1 1 A 44 44 VAL CB C 44 33.260 34.852 -1.592 1
1 451 . 4 1 1 A 44 44 VAL N N 44 126.832 126.764 0.068 1
1 452 . 4 1 1 A 45 45 PRO HA H 45 4.114 4.619 -0.505 1
1 459 . 4 1 1 A 45 45 PRO C C 45 176.031 176.821 -0.790 1
1 460 . 4 1 1 A 45 45 PRO CA C 45 62.732 62.635 0.097 1
1 461 . 4 1 1 A 45 45 PRO CB C 45 32.197 32.539 -0.342 1
1 464 . 4 1 1 A 46 46 ALA H H 46 8.199 8.375 -0.176 1
1 465 . 4 1 1 A 46 46 ALA HA H 46 4.161 4.529 -0.368 1
1 469 . 4 1 1 A 46 46 ALA C C 46 176.631 176.757 -0.126 1
1 470 . 4 1 1 A 46 46 ALA CA C 46 52.105 52.272 -0.167 1
1 471 . 4 1 1 A 46 46 ALA CB C 46 19.315 19.609 -0.294 1
1 472 . 4 1 1 A 46 46 ALA N N 46 124.122 124.783 -0.661 1
1 473 . 4 1 1 A 47 47 ALA H H 47 7.755 8.724 -0.969 1
1 474 . 4 1 1 A 47 47 ALA HA H 47 4.218 5.193 -0.975 1
1 478 . 4 1 1 A 47 47 ALA C C 47 176.322 175.644 0.678 1
1 479 . 4 1 1 A 47 47 ALA CA C 47 52.140 50.590 1.550 1
1 480 . 4 1 1 A 47 47 ALA CB C 47 20.283 20.262 0.021 1
1 481 . 4 1 1 A 47 47 ALA N N 47 121.689 127.147 -5.458 1
1 482 . 4 1 1 A 48 48 PHE H H 48 8.323 8.837 -0.514 1
1 483 . 4 1 1 A 48 48 PHE HA H 48 4.782 5.152 -0.370 1
1 491 . 4 1 1 A 48 48 PHE C C 48 174.258 174.470 -0.212 1
1 492 . 4 1 1 A 48 48 PHE CA C 48 57.108 56.761 0.347 1
1 493 . 4 1 1 A 48 48 PHE CB C 48 40.615 40.500 0.115 1
1 499 . 4 1 1 A 48 48 PHE N N 48 118.583 122.892 -4.309 1
1 500 . 4 1 1 A 49 49 VAL H H 49 8.584 9.151 -0.567 1
1 501 . 4 1 1 A 49 49 VAL HA H 49 4.829 4.932 -0.103 1
1 509 . 4 1 1 A 49 49 VAL C C 49 175.667 175.619 0.048 1
1 510 . 4 1 1 A 49 49 VAL CA C 49 60.508 61.236 -0.728 1
1 511 . 4 1 1 A 49 49 VAL CB C 49 35.158 34.125 1.033 1
1 514 . 4 1 1 A 49 49 VAL N N 49 123.555 123.928 -0.373 1
1 515 . 4 1 1 A 50 50 CYS H H 50 9.170 9.277 -0.107 1
1 516 . 4 1 1 A 50 50 CYS HA H 50 4.593 4.669 -0.076 1
1 519 . 4 1 1 A 50 50 CYS C C 50 177.661 175.474 2.187 1
1 520 . 4 1 1 A 50 50 CYS CA C 50 59.909 60.032 -0.123 1
1 521 . 4 1 1 A 50 50 CYS CB C 50 30.835 28.620 2.215 1
1 522 . 4 1 1 A 50 50 CYS N N 50 128.866 127.632 1.234 1
1 523 . 4 1 1 A 51 51 SER H H 51 9.205 9.090 0.115 1
1 524 . 4 1 1 A 51 51 SER HA H 51 4.271 4.566 -0.295 1
1 527 . 4 1 1 A 51 51 SER C C 51 174.401 175.049 -0.648 1
1 528 . 4 1 1 A 51 51 SER CA C 51 60.890 58.958 1.932 1
1 529 . 4 1 1 A 51 51 SER CB C 51 63.231 63.860 -0.629 1
1 530 . 4 1 1 A 51 51 SER N N 51 128.162 122.624 5.538 1
1 531 . 4 1 1 A 52 52 LYS H H 52 9.118 7.684 1.434 1
1 532 . 4 1 1 A 52 52 LYS HA H 52 4.421 4.289 0.132 1
1 541 . 4 1 1 A 52 52 LYS C C 52 177.831 178.316 -0.485 1
1 542 . 4 1 1 A 52 52 LYS CA C 52 58.535 58.497 0.038 1
1 543 . 4 1 1 A 52 52 LYS CB C 52 34.152 33.188 0.964 1
1 547 . 4 1 1 A 52 52 LYS N N 52 123.970 120.211 3.759 1
1 548 . 4 1 1 A 53 53 CYS H H 53 8.241 8.017 0.224 1
1 549 . 4 1 1 A 53 53 CYS HA H 53 4.999 4.588 0.411 1
1 552 . 4 1 1 A 53 53 CYS C C 53 176.529 175.304 1.225 1
1 553 . 4 1 1 A 53 53 CYS CA C 53 58.587 59.696 -1.109 1
1 554 . 4 1 1 A 53 53 CYS CB C 53 33.353 29.440 3.913 1
1 555 . 4 1 1 A 53 53 CYS N N 53 115.684 113.657 2.027 1
1 556 . 4 1 1 A 54 54 GLY H H 54 8.290 8.235 0.055 1
1 557 . 4 1 1 A 54 54 GLY HA2 H 54 4.226 4.066 0.160 1
1 558 . 4 1 1 A 54 54 GLY HA3 H 54 3.733 4.086 -0.353 1
1 559 . 4 1 1 A 54 54 GLY C C 54 173.761 174.519 -0.758 1
1 560 . 4 1 1 A 54 54 GLY CA C 54 46.147 45.376 0.771 1
1 561 . 4 1 1 A 54 54 GLY N N 54 113.723 110.381 3.342 1
1 562 . 4 1 1 A 55 55 LYS H H 55 8.598 7.581 1.017 1
1 563 . 4 1 1 A 55 55 LYS HA H 55 4.074 4.454 -0.380 1
1 572 . 4 1 1 A 55 55 LYS C C 55 174.748 175.634 -0.886 1
1 573 . 4 1 1 A 55 55 LYS CA C 55 58.270 55.583 2.687 1
1 574 . 4 1 1 A 55 55 LYS CB C 55 33.778 34.031 -0.253 1
1 578 . 4 1 1 A 55 55 LYS N N 55 124.175 121.743 2.432 1
1 579 . 4 1 1 A 56 56 THR H H 56 7.708 8.548 -0.840 1
1 580 . 4 1 1 A 56 56 THR HA H 56 5.028 5.424 -0.396 1
1 585 . 4 1 1 A 56 56 THR C C 56 173.673 173.194 0.479 1
1 586 . 4 1 1 A 56 56 THR CA C 56 60.779 59.354 1.425 1
1 587 . 4 1 1 A 56 56 THR CB C 56 70.823 71.574 -0.751 1
1 589 . 4 1 1 A 56 56 THR N N 56 113.091 112.413 0.678 1
1 590 . 4 1 1 A 57 57 PHE H H 57 8.944 8.699 0.245 1
1 591 . 4 1 1 A 57 57 PHE HA H 57 4.850 4.989 -0.139 1
1 599 . 4 1 1 A 57 57 PHE C C 57 175.764 175.762 0.002 1
1 600 . 4 1 1 A 57 57 PHE CA C 57 56.949 56.265 0.684 1
1 601 . 4 1 1 A 57 57 PHE CB C 57 43.729 43.763 -0.034 1
1 607 . 4 1 1 A 57 57 PHE N N 57 119.958 119.268 0.690 1
1 608 . 4 1 1 A 58 58 THR HA H 58 4.629 4.517 0.112 1
1 613 . 4 1 1 A 58 58 THR CA C 58 62.738 63.529 -0.791 1
1 614 . 4 1 1 A 58 58 THR CB C 58 69.810 69.888 -0.078 1
1 616 . 4 1 1 A 59 59 ARG H H 59 7.422 7.814 -0.392 1
1 617 . 4 1 1 A 59 59 ARG HA H 59 4.740 4.532 0.208 1
1 624 . 4 1 1 A 59 59 ARG CA C 59 54.724 54.331 0.393 1
1 625 . 4 1 1 A 59 59 ARG CB C 59 33.659 32.870 0.789 1
1 628 . 4 1 1 A 59 59 ARG N N 59 118.359 119.408 -1.049 1
1 629 . 4 1 1 A 60 60 ARG HA H 60 2.949 3.345 -0.396 1
1 636 . 4 1 1 A 60 60 ARG CA C 60 59.468 59.353 0.115 1
1 637 . 4 1 1 A 60 60 ARG CB C 60 29.732 29.627 0.105 1
1 640 . 4 1 1 A 61 61 ASN HA H 61 4.332 4.317 0.015 1
1 645 . 4 1 1 A 61 61 ASN C C 61 177.497 178.095 -0.598 1
1 646 . 4 1 1 A 61 61 ASN CA C 61 56.212 56.250 -0.038 1
1 647 . 4 1 1 A 61 61 ASN CB C 61 37.142 38.507 -1.365 1
1 649 . 4 1 1 A 62 62 THR H H 62 7.076 7.947 -0.871 1
1 650 . 4 1 1 A 62 62 THR HA H 62 3.893 3.831 0.062 1
1 655 . 4 1 1 A 62 62 THR C C 62 176.684 175.835 0.849 1
1 656 . 4 1 1 A 62 62 THR CA C 62 65.025 67.008 -1.983 1
1 657 . 4 1 1 A 62 62 THR CB C 62 68.112 67.836 0.276 1
1 659 . 4 1 1 A 62 62 THR N N 62 115.050 115.561 -0.511 1
1 660 . 4 1 1 A 63 63 MET H H 63 7.149 8.138 -0.989 1
1 661 . 4 1 1 A 63 63 MET HA H 63 2.545 3.161 -0.616 1
1 669 . 4 1 1 A 63 63 MET C C 63 176.978 177.607 -0.629 1
1 670 . 4 1 1 A 63 63 MET CA C 63 58.791 57.666 1.125 1
1 671 . 4 1 1 A 63 63 MET CB C 63 31.556 31.851 -0.295 1
1 674 . 4 1 1 A 63 63 MET N N 63 122.700 119.770 2.930 1
1 675 . 4 1 1 A 64 64 ALA H H 64 8.383 8.524 -0.141 1
1 676 . 4 1 1 A 64 64 ALA HA H 64 3.944 3.964 -0.020 1
1 680 . 4 1 1 A 64 64 ALA C C 64 179.879 180.069 -0.190 1
1 681 . 4 1 1 A 64 64 ALA CA C 64 55.324 55.213 0.111 1
1 682 . 4 1 1 A 64 64 ALA CB C 64 18.033 18.407 -0.374 1
1 683 . 4 1 1 A 64 64 ALA N N 64 122.001 121.402 0.599 1
1 684 . 4 1 1 A 65 65 ARG H H 65 7.574 7.869 -0.295 1
1 685 . 4 1 1 A 65 65 ARG HA H 65 4.139 4.011 0.128 1
1 692 . 4 1 1 A 65 65 ARG C C 65 178.946 179.229 -0.283 1
1 693 . 4 1 1 A 65 65 ARG CA C 65 58.182 59.608 -1.426 1
1 694 . 4 1 1 A 65 65 ARG CB C 65 30.153 29.689 0.464 1
1 697 . 4 1 1 A 65 65 ARG N N 65 116.551 117.391 -0.840 1
1 698 . 4 1 1 A 66 66 HIS H H 66 7.455 7.836 -0.381 1
1 699 . 4 1 1 A 66 66 HIS HA H 66 4.271 4.313 -0.042 1
1 704 . 4 1 1 A 66 66 HIS C C 66 177.633 176.890 0.743 1
1 705 . 4 1 1 A 66 66 HIS CA C 66 59.046 59.749 -0.703 1
1 706 . 4 1 1 A 66 66 HIS CB C 66 27.820 29.187 -1.367 1
1 709 . 4 1 1 A 66 66 HIS N N 66 118.483 119.930 -1.447 1
1 710 . 4 1 1 A 67 67 ALA H H 67 8.869 8.165 0.704 1
1 711 . 4 1 1 A 67 67 ALA HA H 67 3.968 3.676 0.292 1
1 715 . 4 1 1 A 67 67 ALA C C 67 179.374 178.592 0.782 1
1 716 . 4 1 1 A 67 67 ALA CA C 67 55.186 55.072 0.114 1
1 717 . 4 1 1 A 67 67 ALA CB C 67 18.851 18.148 0.703 1
1 718 . 4 1 1 A 67 67 ALA N N 67 122.114 120.754 1.360 1
1 719 . 4 1 1 A 68 68 ASP H H 68 7.476 8.017 -0.541 1
1 720 . 4 1 1 A 68 68 ASP HA H 68 4.401 4.245 0.156 1
1 723 . 4 1 1 A 68 68 ASP C C 68 176.580 178.337 -1.757 1
1 724 . 4 1 1 A 68 68 ASP CA C 68 56.772 57.563 -0.791 1
1 725 . 4 1 1 A 68 68 ASP CB C 68 40.945 41.026 -0.081 1
1 726 . 4 1 1 A 68 68 ASP N N 68 116.466 118.335 -1.869 1
1 727 . 4 1 1 A 69 69 ASN H H 69 7.227 7.429 -0.202 1
1 728 . 4 1 1 A 69 69 ASN HA H 69 4.905 4.621 0.284 1
1 733 . 4 1 1 A 69 69 ASN C C 69 173.603 175.460 -1.857 1
1 734 . 4 1 1 A 69 69 ASN CA C 69 52.518 54.903 -2.385 1
1 735 . 4 1 1 A 69 69 ASN CB C 69 40.657 38.538 2.119 1
1 736 . 4 1 1 A 69 69 ASN N N 69 114.158 115.598 -1.440 1
1 738 . 4 1 1 A 70 70 CYS H H 70 7.201 7.428 -0.227 1
1 739 . 4 1 1 A 70 70 CYS HA H 70 3.902 4.326 -0.424 1
1 742 . 4 1 1 A 70 70 CYS C C 70 175.424 174.134 1.290 1
1 743 . 4 1 1 A 70 70 CYS CA C 70 61.195 58.783 2.412 1
1 744 . 4 1 1 A 70 70 CYS CB C 70 29.288 28.699 0.589 1
1 745 . 4 1 1 A 70 70 CYS N N 70 124.154 118.532 5.622 1
1 746 . 4 1 1 A 71 71 ALA H H 71 8.783 8.789 -0.006 1
1 747 . 4 1 1 A 71 71 ALA HA H 71 4.562 4.522 0.040 1
1 751 . 4 1 1 A 71 71 ALA C C 71 177.513 177.054 0.459 1
1 752 . 4 1 1 A 71 71 ALA CA C 71 51.926 52.593 -0.667 1
1 753 . 4 1 1 A 71 71 ALA CB C 71 19.698 21.095 -1.397 1
1 754 . 4 1 1 A 71 71 ALA N N 71 131.493 126.251 5.242 1
1 755 . 4 1 1 A 72 72 GLY H H 72 8.645 7.344 1.301 1
1 756 . 4 1 1 A 72 72 GLY HA2 H 72 4.469 4.060 0.409 1
1 757 . 4 1 1 A 72 72 GLY HA3 H 72 3.628 4.066 -0.438 1
1 758 . 4 1 1 A 72 72 GLY C C 72 171.320 170.996 0.324 1
1 759 . 4 1 1 A 72 72 GLY CA C 72 44.286 45.294 -1.008 1
1 760 . 4 1 1 A 72 72 GLY N N 72 110.083 102.438 7.645 1
1 761 . 4 1 1 A 73 73 PRO HA H 73 4.470 4.750 -0.280 1
1 768 . 4 1 1 A 73 73 PRO C C 73 176.905 176.343 0.562 1
1 769 . 4 1 1 A 73 73 PRO CA C 73 63.706 62.787 0.919 1
1 770 . 4 1 1 A 73 73 PRO CB C 73 32.344 32.655 -0.311 1
1 773 . 4 1 1 A 74 74 ASP H H 74 8.506 8.538 -0.032 1
1 774 . 4 1 1 A 74 74 ASP HA H 74 4.659 4.840 -0.181 1
1 777 . 4 1 1 A 74 74 ASP C C 74 176.869 176.305 0.564 1
1 778 . 4 1 1 A 74 74 ASP CA C 74 54.617 55.258 -0.641 1
1 779 . 4 1 1 A 74 74 ASP CB C 74 41.335 41.876 -0.541 1
1 780 . 4 1 1 A 74 74 ASP N N 74 120.155 117.726 2.429 1
1 781 . 4 1 1 A 75 75 GLY H H 75 8.257 7.453 0.804 1
1 782 . 4 1 1 A 75 75 GLY HA2 H 75 4.072 4.179 -0.107 1
1 783 . 4 1 1 A 75 75 GLY HA3 H 75 3.965 4.180 -0.215 1
1 784 . 4 1 1 A 75 75 GLY C C 75 174.256 172.093 2.163 1
1 785 . 4 1 1 A 75 75 GLY CA C 75 45.653 45.326 0.327 1
1 786 . 4 1 1 A 75 75 GLY N N 75 108.913 105.680 3.233 1
1 787 . 4 1 1 A 76 76 VAL H H 76 8.079 8.865 -0.786 1
1 788 . 4 1 1 A 76 76 VAL HA H 76 4.169 4.843 -0.674 1
1 796 . 4 1 1 A 76 76 VAL C C 76 176.347 174.426 1.921 1
1 797 . 4 1 1 A 76 76 VAL CA C 76 62.295 59.485 2.810 1
1 798 . 4 1 1 A 76 76 VAL CB C 76 32.871 35.244 -2.373 1
1 801 . 4 1 1 A 76 76 VAL N N 76 119.508 123.850 -4.342 1
1 802 . 4 1 1 A 77 77 GLU H H 77 8.619 9.020 -0.401 1
1 803 . 4 1 1 A 77 77 GLU HA H 77 4.310 4.598 -0.288 1
1 808 . 4 1 1 A 77 77 GLU C C 77 177.046 177.295 -0.249 1
1 809 . 4 1 1 A 77 77 GLU CA C 77 56.966 57.093 -0.127 1
1 810 . 4 1 1 A 77 77 GLU CB C 77 30.318 31.493 -1.175 1
1 812 . 4 1 1 A 77 77 GLU N N 77 125.001 125.884 -0.883 1
1 813 . 4 1 1 A 78 78 GLY H H 78 8.446 8.157 0.289 1
1 814 . 4 1 1 A 78 78 GLY HA2 H 78 3.987 3.900 0.087 1
1 815 . 4 1 1 A 78 78 GLY HA3 H 78 3.987 3.901 0.086 1
1 816 . 4 1 1 A 78 78 GLY C C 78 174.238 173.633 0.605 1
1 817 . 4 1 1 A 78 78 GLY CA C 78 45.283 46.049 -0.766 1
1 818 . 4 1 1 A 78 78 GLY N N 78 110.357 107.150 3.207 1
1 819 . 4 1 1 A 79 79 GLU H H 79 8.313 7.958 0.355 1
1 820 . 4 1 1 A 79 79 GLU HA H 79 4.309 5.046 -0.737 1
1 825 . 4 1 1 A 79 79 GLU C C 79 176.509 174.491 2.018 1
1 826 . 4 1 1 A 79 79 GLU CA C 79 56.755 55.808 0.947 1
1 827 . 4 1 1 A 79 79 GLU CB C 79 30.317 32.366 -2.049 1
1 829 . 4 1 1 A 79 79 GLU N N 79 120.638 121.937 -1.299 1
1 830 . 4 1 1 A 80 80 ASN H H 80 8.588 8.798 -0.210 1
1 831 . 4 1 1 A 80 80 ASN HA H 80 4.801 5.329 -0.528 1
1 834 . 4 1 1 A 80 80 ASN C C 80 175.202 173.709 1.493 1
1 835 . 4 1 1 A 80 80 ASN CA C 80 53.336 52.099 1.237 1
1 836 . 4 1 1 A 80 80 ASN CB C 80 39.051 42.087 -3.036 1
1 837 . 4 1 1 A 80 80 ASN N N 80 119.808 123.608 -3.800 1
1 838 . 4 1 1 A 81 81 SER H H 81 8.322 8.830 -0.508 1
1 839 . 4 1 1 A 81 81 SER HA H 81 4.517 5.041 -0.524 1
1 842 . 4 1 1 A 81 81 SER C C 81 174.643 174.010 0.633 1
1 843 . 4 1 1 A 81 81 SER CA C 81 58.499 57.120 1.379 1
1 844 . 4 1 1 A 81 81 SER CB C 81 64.056 65.831 -1.775 1
1 845 . 4 1 1 A 81 81 SER N N 81 116.318 114.946 1.372 1
1 846 . 4 1 1 A 82 82 GLY H H 82 8.303 8.386 -0.083 1
1 847 . 4 1 1 A 82 82 GLY HA2 H 82 4.170 4.250 -0.080 1
1 848 . 4 1 1 A 82 82 GLY HA3 H 82 4.125 4.256 -0.131 1
1 849 . 4 1 1 A 82 82 GLY C C 82 171.855 172.146 -0.291 1
1 850 . 4 1 1 A 82 82 GLY CA C 82 44.719 45.371 -0.652 1
1 851 . 4 1 1 A 82 82 GLY N N 82 110.706 107.116 3.590 1
1 852 . 4 1 1 A 83 83 PRO HA H 83 4.498 4.755 -0.257 1
1 859 . 4 1 1 A 83 83 PRO C C 83 177.459 175.924 1.535 1
1 860 . 4 1 1 A 83 83 PRO CA C 83 63.274 62.536 0.738 1
1 861 . 4 1 1 A 83 83 PRO CB C 83 32.254 33.490 -1.236 1
1 864 . 4 1 1 A 84 84 SER H H 84 8.541 8.209 0.332 1
1 865 . 4 1 1 A 84 84 SER HA H 84 4.508 4.827 -0.319 1
1 868 . 4 1 1 A 84 84 SER C C 84 174.744 175.296 -0.552 1
1 869 . 4 1 1 A 84 84 SER CA C 84 58.412 56.792 1.620 1
1 870 . 4 1 1 A 84 84 SER CB C 84 64.056 63.093 0.963 1
1 871 . 4 1 1 A 84 84 SER N N 84 116.449 113.564 2.885 1
1 872 . 4 1 1 A 85 85 SER H H 85 8.353 8.002 0.351 1
1 873 . 4 1 1 A 85 85 SER HA H 85 4.517 4.071 0.446 1
1 876 . 4 1 1 A 85 85 SER C C 85 173.953 175.153 -1.200 1
1 877 . 4 1 1 A 85 85 SER CA C 85 58.492 62.170 -3.678 1
1 878 . 4 1 1 A 85 85 SER CB C 85 64.138 63.247 0.891 1
1 879 . 4 1 1 A 85 85 SER N N 85 117.940 118.791 -0.851 1
1 1 . 5 1 1 A 8 8 ARG HA H 8 4.432 5.085 -0.653 1
1 7 . 5 1 1 A 8 8 ARG CA C 8 56.069 54.711 1.358 1
1 8 . 5 1 1 A 8 8 ARG CB C 8 30.974 32.475 -1.501 1
1 14 . 5 1 1 A 9 9 THR CB C 9 69.816 70.352 -0.536 1
1 16 . 5 1 1 A 10 10 HIS HA H 10 4.730 4.856 -0.126 1
1 21 . 5 1 1 A 10 10 HIS CA C 10 56.345 54.455 1.890 1
1 22 . 5 1 1 A 10 10 HIS CB C 10 31.058 29.391 1.667 1
1 28 . 5 1 1 A 11 11 THR CB C 11 69.816 69.965 -0.149 1
1 30 . 5 1 1 A 12 12 GLY HA2 H 12 3.978 3.930 0.048 1
1 31 . 5 1 1 A 12 12 GLY HA3 H 12 3.978 4.005 -0.027 1
1 32 . 5 1 1 A 12 12 GLY CA C 12 45.442 46.480 -1.038 1
1 33 . 5 1 1 A 13 13 GLU H H 13 8.243 8.051 0.192 1
1 34 . 5 1 1 A 13 13 GLU HA H 13 4.235 4.553 -0.318 1
1 39 . 5 1 1 A 13 13 GLU CA C 13 56.898 55.103 1.795 1
1 40 . 5 1 1 A 13 13 GLU CB C 13 30.495 30.192 0.303 1
1 42 . 5 1 1 A 13 13 GLU N N 13 120.364 119.762 0.602 1
1 43 . 5 1 1 A 14 14 LYS H H 14 8.276 8.247 0.029 1
1 44 . 5 1 1 A 14 14 LYS HA H 14 4.528 4.310 0.218 1
1 53 . 5 1 1 A 14 14 LYS CA C 14 54.009 55.134 -1.125 1
1 54 . 5 1 1 A 14 14 LYS CB C 14 32.667 32.651 0.016 1
1 58 . 5 1 1 A 14 14 LYS N N 14 121.981 124.814 -2.833 1
1 59 . 5 1 1 A 15 15 PRO HA H 15 4.347 4.395 -0.048 1
1 66 . 5 1 1 A 15 15 PRO CA C 15 63.237 64.929 -1.692 1
1 67 . 5 1 1 A 15 15 PRO CB C 15 32.365 31.751 0.614 1
1 70 . 5 1 1 A 16 16 TYR H H 16 8.234 7.628 0.606 1
1 71 . 5 1 1 A 16 16 TYR HA H 16 4.508 4.787 -0.279 1
1 78 . 5 1 1 A 16 16 TYR C C 16 174.453 174.509 -0.056 1
1 79 . 5 1 1 A 16 16 TYR CA C 16 58.076 57.033 1.043 1
1 80 . 5 1 1 A 16 16 TYR CB C 16 38.346 38.066 0.280 1
1 85 . 5 1 1 A 16 16 TYR N N 16 118.751 117.815 0.936 1
1 86 . 5 1 1 A 17 17 ALA H H 17 8.567 9.040 -0.473 1
1 87 . 5 1 1 A 17 17 ALA HA H 17 4.754 5.294 -0.540 1
1 91 . 5 1 1 A 17 17 ALA C C 17 176.249 176.968 -0.719 1
1 92 . 5 1 1 A 17 17 ALA CA C 17 51.274 50.556 0.718 1
1 93 . 5 1 1 A 17 17 ALA CB C 17 20.625 20.968 -0.343 1
1 94 . 5 1 1 A 17 17 ALA N N 17 127.897 128.081 -0.184 1
1 95 . 5 1 1 A 18 18 CYS H H 18 8.464 9.056 -0.592 1
1 96 . 5 1 1 A 18 18 CYS HA H 18 4.538 4.474 0.064 1
1 99 . 5 1 1 A 18 18 CYS C C 18 175.739 175.430 0.309 1
1 100 . 5 1 1 A 18 18 CYS CA C 18 60.966 60.253 0.713 1
1 101 . 5 1 1 A 18 18 CYS CB C 18 29.435 28.630 0.805 1
1 102 . 5 1 1 A 18 18 CYS N N 18 125.366 123.410 1.956 1
1 103 . 5 1 1 A 19 19 SER H H 19 8.439 9.248 -0.809 1
1 104 . 5 1 1 A 19 19 SER HA H 19 4.426 4.539 -0.113 1
1 107 . 5 1 1 A 19 19 SER C C 19 175.890 176.855 -0.965 1
1 108 . 5 1 1 A 19 19 SER CA C 19 60.085 61.645 -1.560 1
1 109 . 5 1 1 A 19 19 SER CB C 19 64.097 63.618 0.479 1
1 110 . 5 1 1 A 19 19 SER N N 19 121.912 122.400 -0.488 1
1 111 . 5 1 1 A 20 20 HIS H H 20 9.949 8.202 1.747 1
1 112 . 5 1 1 A 20 20 HIS HA H 20 4.579 4.423 0.156 1
1 117 . 5 1 1 A 20 20 HIS C C 20 174.670 175.602 -0.932 1
1 118 . 5 1 1 A 20 20 HIS CA C 20 57.354 59.179 -1.825 1
1 119 . 5 1 1 A 20 20 HIS CB C 20 30.787 29.258 1.529 1
1 122 . 5 1 1 A 20 20 HIS N N 20 126.154 119.218 6.936 1
1 123 . 5 1 1 A 21 21 CYS H H 21 7.972 8.091 -0.119 1
1 124 . 5 1 1 A 21 21 CYS HA H 21 4.947 4.918 0.029 1
1 127 . 5 1 1 A 21 21 CYS C C 21 172.879 173.556 -0.677 1
1 128 . 5 1 1 A 21 21 CYS CA C 21 58.891 56.713 2.178 1
1 129 . 5 1 1 A 21 21 CYS CB C 21 29.766 30.916 -1.150 1
1 130 . 5 1 1 A 21 21 CYS N N 21 119.638 114.871 4.767 1
1 131 . 5 1 1 A 22 22 ASP H H 22 8.167 8.708 -0.541 1
1 132 . 5 1 1 A 22 22 ASP HA H 22 4.668 4.818 -0.150 1
1 135 . 5 1 1 A 22 22 ASP C C 22 176.857 174.693 2.164 1
1 136 . 5 1 1 A 22 22 ASP CA C 22 54.587 53.056 1.531 1
1 137 . 5 1 1 A 22 22 ASP CB C 22 40.758 39.748 1.010 1
1 138 . 5 1 1 A 22 22 ASP N N 22 115.180 121.991 -6.811 1
1 139 . 5 1 1 A 23 23 LYS H H 23 8.407 7.655 0.752 1
1 140 . 5 1 1 A 23 23 LYS HA H 23 4.085 4.669 -0.584 1
1 148 . 5 1 1 A 23 23 LYS C C 23 175.732 175.936 -0.204 1
1 149 . 5 1 1 A 23 23 LYS CA C 23 57.537 54.476 3.061 1
1 150 . 5 1 1 A 23 23 LYS CB C 23 33.593 35.165 -1.572 1
1 154 . 5 1 1 A 23 23 LYS N N 23 122.302 121.754 0.548 1
1 155 . 5 1 1 A 24 24 THR H H 24 7.462 8.400 -0.938 1
1 156 . 5 1 1 A 24 24 THR HA H 24 5.018 5.442 -0.424 1
1 161 . 5 1 1 A 24 24 THR C C 24 173.047 172.859 0.188 1
1 162 . 5 1 1 A 24 24 THR CA C 24 59.500 58.860 0.640 1
1 163 . 5 1 1 A 24 24 THR CB C 24 71.795 72.223 -0.428 1
1 165 . 5 1 1 A 24 24 THR N N 24 110.405 111.809 -1.404 1
1 166 . 5 1 1 A 25 25 PHE H H 25 8.750 9.008 -0.258 1
1 167 . 5 1 1 A 25 25 PHE HA H 25 4.886 4.899 -0.013 1
1 175 . 5 1 1 A 25 25 PHE C C 25 175.982 175.754 0.228 1
1 176 . 5 1 1 A 25 25 PHE CA C 25 57.301 56.571 0.730 1
1 177 . 5 1 1 A 25 25 PHE CB C 25 44.782 42.976 1.806 1
1 183 . 5 1 1 A 25 25 PHE N N 25 116.161 117.932 -1.771 1
1 184 . 5 1 1 A 26 26 ARG HA H 26 4.550 4.365 0.185 1
1 191 . 5 1 1 A 26 26 ARG C C 26 175.820 176.512 -0.692 1
1 192 . 5 1 1 A 26 26 ARG CA C 26 57.830 58.837 -1.007 1
1 193 . 5 1 1 A 26 26 ARG CB C 26 31.465 30.303 1.162 1
1 196 . 5 1 1 A 27 27 GLN H H 27 7.052 7.793 -0.741 1
1 197 . 5 1 1 A 27 27 GLN HA H 27 4.820 4.471 0.349 1
1 204 . 5 1 1 A 27 27 GLN C C 27 175.929 176.325 -0.396 1
1 205 . 5 1 1 A 27 27 GLN CA C 27 53.971 54.923 -0.952 1
1 206 . 5 1 1 A 27 27 GLN CB C 27 32.968 30.256 2.712 1
1 208 . 5 1 1 A 27 27 GLN N N 27 111.833 119.116 -7.283 1
1 210 . 5 1 1 A 28 28 LYS H H 28 8.616 8.080 0.536 1
1 211 . 5 1 1 A 28 28 LYS HA H 28 3.013 3.383 -0.370 1
1 220 . 5 1 1 A 28 28 LYS C C 28 177.891 178.374 -0.483 1
1 221 . 5 1 1 A 28 28 LYS CA C 28 59.351 58.494 0.857 1
1 222 . 5 1 1 A 28 28 LYS CB C 28 31.901 31.533 0.368 1
1 226 . 5 1 1 A 28 28 LYS N N 28 127.969 123.561 4.408 1
1 227 . 5 1 1 A 29 29 GLN H H 29 9.039 7.807 1.232 1
1 228 . 5 1 1 A 29 29 GLN HA H 29 4.110 3.941 0.169 1
1 235 . 5 1 1 A 29 29 GLN C C 29 178.275 178.622 -0.347 1
1 236 . 5 1 1 A 29 29 GLN CA C 29 59.073 58.621 0.452 1
1 237 . 5 1 1 A 29 29 GLN CB C 29 27.673 27.982 -0.309 1
1 239 . 5 1 1 A 29 29 GLN N N 29 116.426 119.119 -2.693 1
1 241 . 5 1 1 A 30 30 LEU H H 30 6.687 7.861 -1.174 1
1 242 . 5 1 1 A 30 30 LEU HA H 30 4.105 3.851 0.254 1
1 252 . 5 1 1 A 30 30 LEU C C 30 179.455 178.883 0.572 1
1 253 . 5 1 1 A 30 30 LEU CA C 30 56.878 57.651 -0.773 1
1 254 . 5 1 1 A 30 30 LEU CB C 30 41.552 41.508 0.044 1
1 258 . 5 1 1 A 30 30 LEU N N 30 116.469 119.703 -3.234 1
1 259 . 5 1 1 A 31 31 LEU H H 31 6.875 7.540 -0.665 1
1 260 . 5 1 1 A 31 31 LEU HA H 31 3.174 2.738 0.436 1
1 270 . 5 1 1 A 31 31 LEU C C 31 177.599 178.114 -0.515 1
1 271 . 5 1 1 A 31 31 LEU CA C 31 57.829 57.098 0.731 1
1 272 . 5 1 1 A 31 31 LEU CB C 31 39.945 40.766 -0.821 1
1 276 . 5 1 1 A 31 31 LEU N N 31 122.863 119.494 3.369 1
1 277 . 5 1 1 A 32 32 ASP H H 32 8.429 7.790 0.639 1
1 278 . 5 1 1 A 32 32 ASP HA H 32 4.356 4.214 0.142 1
1 281 . 5 1 1 A 32 32 ASP C C 32 179.142 178.092 1.050 1
1 282 . 5 1 1 A 32 32 ASP CA C 32 57.830 57.120 0.710 1
1 283 . 5 1 1 A 32 32 ASP CB C 32 39.978 40.929 -0.951 1
1 284 . 5 1 1 A 32 32 ASP N N 32 120.350 119.203 1.147 1
1 285 . 5 1 1 A 33 33 MET H H 33 7.738 8.113 -0.375 1
1 286 . 5 1 1 A 33 33 MET HA H 33 4.167 3.771 0.396 1
1 294 . 5 1 1 A 33 33 MET C C 33 178.463 177.836 0.627 1
1 295 . 5 1 1 A 33 33 MET CA C 33 58.454 58.175 0.279 1
1 296 . 5 1 1 A 33 33 MET CB C 33 32.924 32.079 0.845 1
1 299 . 5 1 1 A 33 33 MET N N 33 118.109 118.807 -0.698 1
1 300 . 5 1 1 A 34 34 HIS H H 34 7.632 8.218 -0.586 1
1 301 . 5 1 1 A 34 34 HIS HA H 34 4.396 4.223 0.173 1
1 306 . 5 1 1 A 34 34 HIS C C 34 176.258 176.454 -0.196 1
1 307 . 5 1 1 A 34 34 HIS CA C 34 59.715 59.211 0.504 1
1 308 . 5 1 1 A 34 34 HIS CB C 34 28.594 29.760 -1.166 1
1 311 . 5 1 1 A 34 34 HIS N N 34 120.242 120.318 -0.076 1
1 312 . 5 1 1 A 35 35 PHE H H 35 9.373 7.724 1.649 1
1 313 . 5 1 1 A 35 35 PHE HA H 35 3.726 3.921 -0.195 1
1 321 . 5 1 1 A 35 35 PHE C C 35 178.043 177.040 1.003 1
1 322 . 5 1 1 A 35 35 PHE CA C 35 62.870 61.383 1.487 1
1 323 . 5 1 1 A 35 35 PHE CB C 35 39.846 39.313 0.533 1
1 329 . 5 1 1 A 35 35 PHE N N 35 121.691 120.233 1.458 1
1 330 . 5 1 1 A 36 36 LYS H H 36 7.861 8.017 -0.156 1
1 331 . 5 1 1 A 36 36 LYS HA H 36 4.139 4.451 -0.312 1
1 340 . 5 1 1 A 36 36 LYS C C 36 176.843 178.428 -1.585 1
1 341 . 5 1 1 A 36 36 LYS CA C 36 58.198 58.483 -0.285 1
1 342 . 5 1 1 A 36 36 LYS CB C 36 32.906 32.234 0.672 1
1 346 . 5 1 1 A 36 36 LYS N N 36 118.022 117.857 0.165 1
1 347 . 5 1 1 A 37 37 ARG H H 37 7.298 7.762 -0.464 1
1 348 . 5 1 1 A 37 37 ARG HA H 37 3.717 4.268 -0.551 1
1 355 . 5 1 1 A 37 37 ARG C C 37 177.872 178.315 -0.443 1
1 356 . 5 1 1 A 37 37 ARG CA C 37 57.874 58.190 -0.316 1
1 357 . 5 1 1 A 37 37 ARG CB C 37 30.619 30.885 -0.266 1
1 360 . 5 1 1 A 37 37 ARG N N 37 114.740 120.407 -5.667 1
1 361 . 5 1 1 A 38 38 TYR H H 38 7.779 8.382 -0.603 1
1 362 . 5 1 1 A 38 38 TYR HA H 38 4.146 4.155 -0.009 1
1 369 . 5 1 1 A 38 38 TYR C C 38 176.160 178.543 -2.383 1
1 370 . 5 1 1 A 38 38 TYR CA C 38 59.941 60.162 -0.221 1
1 371 . 5 1 1 A 38 38 TYR CB C 38 38.516 38.071 0.445 1
1 376 . 5 1 1 A 38 38 TYR N N 38 112.257 118.792 -6.535 1
1 377 . 5 1 1 A 39 39 HIS H H 39 7.679 7.692 -0.013 1
1 378 . 5 1 1 A 39 39 HIS HA H 39 4.943 4.429 0.514 1
1 383 . 5 1 1 A 39 39 HIS C C 39 173.845 174.647 -0.802 1
1 384 . 5 1 1 A 39 39 HIS CA C 39 54.045 58.317 -4.272 1
1 385 . 5 1 1 A 39 39 HIS CB C 39 29.490 28.972 0.518 1
1 388 . 5 1 1 A 39 39 HIS N N 39 114.679 116.560 -1.881 1
1 389 . 5 1 1 A 40 40 ASP H H 40 7.317 7.745 -0.428 1
1 390 . 5 1 1 A 40 40 ASP HA H 40 4.800 4.925 -0.125 1
1 393 . 5 1 1 A 40 40 ASP C C 40 175.035 175.005 0.030 1
1 394 . 5 1 1 A 40 40 ASP CA C 40 51.697 50.594 1.103 1
1 395 . 5 1 1 A 40 40 ASP CB C 40 42.630 43.203 -0.573 1
1 396 . 5 1 1 A 40 40 ASP N N 40 119.125 117.963 1.162 1
1 397 . 5 1 1 A 41 41 PRO HA H 41 4.552 4.392 0.160 1
1 404 . 5 1 1 A 41 41 PRO C C 41 177.331 177.748 -0.417 1
1 405 . 5 1 1 A 41 41 PRO CA C 41 64.019 64.097 -0.078 1
1 406 . 5 1 1 A 41 41 PRO CB C 41 32.235 31.828 0.407 1
1 409 . 5 1 1 A 42 42 ASN H H 42 8.484 8.778 -0.294 1
1 410 . 5 1 1 A 42 42 ASN HA H 42 4.703 4.535 0.168 1
1 415 . 5 1 1 A 42 42 ASN C C 42 174.879 176.609 -1.730 1
1 416 . 5 1 1 A 42 42 ASN CA C 42 53.371 56.432 -3.061 1
1 417 . 5 1 1 A 42 42 ASN CB C 42 39.009 38.410 0.599 1
1 418 . 5 1 1 A 42 42 ASN N N 42 116.107 117.242 -1.135 1
1 420 . 5 1 1 A 43 43 PHE H H 43 7.741 7.649 0.092 1
1 421 . 5 1 1 A 43 43 PHE HA H 43 4.448 4.499 -0.051 1
1 429 . 5 1 1 A 43 43 PHE CA C 43 58.640 59.744 -1.104 1
1 430 . 5 1 1 A 43 43 PHE CB C 43 40.203 39.567 0.636 1
1 436 . 5 1 1 A 43 43 PHE N N 43 121.284 119.470 1.814 1
1 437 . 5 1 1 A 44 44 VAL H H 44 7.718 8.254 -0.536 1
1 438 . 5 1 1 A 44 44 VAL HA H 44 4.221 4.789 -0.568 1
1 446 . 5 1 1 A 44 44 VAL C C 44 173.190 173.802 -0.612 1
1 447 . 5 1 1 A 44 44 VAL CA C 44 59.177 58.318 0.859 1
1 448 . 5 1 1 A 44 44 VAL CB C 44 33.260 34.692 -1.432 1
1 451 . 5 1 1 A 44 44 VAL N N 44 126.832 126.691 0.141 1
1 452 . 5 1 1 A 45 45 PRO HA H 45 4.114 4.660 -0.546 1
1 459 . 5 1 1 A 45 45 PRO C C 45 176.031 176.246 -0.215 1
1 460 . 5 1 1 A 45 45 PRO CA C 45 62.732 62.604 0.128 1
1 461 . 5 1 1 A 45 45 PRO CB C 45 32.197 32.436 -0.239 1
1 464 . 5 1 1 A 46 46 ALA H H 46 8.199 8.404 -0.205 1
1 465 . 5 1 1 A 46 46 ALA HA H 46 4.161 4.573 -0.412 1
1 469 . 5 1 1 A 46 46 ALA C C 46 176.631 176.568 0.063 1
1 470 . 5 1 1 A 46 46 ALA CA C 46 52.105 51.947 0.158 1
1 471 . 5 1 1 A 46 46 ALA CB C 46 19.315 19.805 -0.490 1
1 472 . 5 1 1 A 46 46 ALA N N 46 124.122 124.241 -0.119 1
1 473 . 5 1 1 A 47 47 ALA H H 47 7.755 8.700 -0.945 1
1 474 . 5 1 1 A 47 47 ALA HA H 47 4.218 5.167 -0.949 1
1 478 . 5 1 1 A 47 47 ALA C C 47 176.322 175.584 0.738 1
1 479 . 5 1 1 A 47 47 ALA CA C 47 52.140 50.619 1.521 1
1 480 . 5 1 1 A 47 47 ALA CB C 47 20.283 20.326 -0.043 1
1 481 . 5 1 1 A 47 47 ALA N N 47 121.689 126.887 -5.198 1
1 482 . 5 1 1 A 48 48 PHE H H 48 8.323 8.833 -0.510 1
1 483 . 5 1 1 A 48 48 PHE HA H 48 4.782 5.147 -0.365 1
1 491 . 5 1 1 A 48 48 PHE C C 48 174.258 174.459 -0.201 1
1 492 . 5 1 1 A 48 48 PHE CA C 48 57.108 56.769 0.339 1
1 493 . 5 1 1 A 48 48 PHE CB C 48 40.615 40.501 0.114 1
1 499 . 5 1 1 A 48 48 PHE N N 48 118.583 122.612 -4.029 1
1 500 . 5 1 1 A 49 49 VAL H H 49 8.584 9.251 -0.667 1
1 501 . 5 1 1 A 49 49 VAL HA H 49 4.829 5.041 -0.212 1
1 509 . 5 1 1 A 49 49 VAL C C 49 175.667 175.760 -0.093 1
1 510 . 5 1 1 A 49 49 VAL CA C 49 60.508 61.093 -0.585 1
1 511 . 5 1 1 A 49 49 VAL CB C 49 35.158 33.623 1.535 1
1 514 . 5 1 1 A 49 49 VAL N N 49 123.555 123.793 -0.238 1
1 515 . 5 1 1 A 50 50 CYS H H 50 9.170 9.247 -0.077 1
1 516 . 5 1 1 A 50 50 CYS HA H 50 4.593 4.522 0.071 1
1 519 . 5 1 1 A 50 50 CYS C C 50 177.661 175.529 2.132 1
1 520 . 5 1 1 A 50 50 CYS CA C 50 59.909 59.328 0.581 1
1 521 . 5 1 1 A 50 50 CYS CB C 50 30.835 28.933 1.902 1
1 522 . 5 1 1 A 50 50 CYS N N 50 128.866 127.327 1.539 1
1 523 . 5 1 1 A 51 51 SER H H 51 9.205 8.524 0.681 1
1 524 . 5 1 1 A 51 51 SER HA H 51 4.271 4.720 -0.449 1
1 527 . 5 1 1 A 51 51 SER C C 51 174.401 175.910 -1.509 1
1 528 . 5 1 1 A 51 51 SER CA C 51 60.890 58.101 2.789 1
1 529 . 5 1 1 A 51 51 SER CB C 51 63.231 64.948 -1.717 1
1 530 . 5 1 1 A 51 51 SER N N 51 128.162 117.475 10.687 1
1 531 . 5 1 1 A 52 52 LYS H H 52 9.118 8.101 1.017 1
1 532 . 5 1 1 A 52 52 LYS HA H 52 4.421 4.224 0.197 1
1 541 . 5 1 1 A 52 52 LYS C C 52 177.831 177.990 -0.159 1
1 542 . 5 1 1 A 52 52 LYS CA C 52 58.535 58.593 -0.058 1
1 543 . 5 1 1 A 52 52 LYS CB C 52 34.152 33.294 0.858 1
1 547 . 5 1 1 A 52 52 LYS N N 52 123.970 120.487 3.483 1
1 548 . 5 1 1 A 53 53 CYS H H 53 8.241 8.083 0.158 1
1 549 . 5 1 1 A 53 53 CYS HA H 53 4.999 4.705 0.294 1
1 552 . 5 1 1 A 53 53 CYS C C 53 176.529 175.555 0.974 1
1 553 . 5 1 1 A 53 53 CYS CA C 53 58.587 59.693 -1.106 1
1 554 . 5 1 1 A 53 53 CYS CB C 53 33.353 29.846 3.507 1
1 555 . 5 1 1 A 53 53 CYS N N 53 115.684 114.860 0.824 1
1 556 . 5 1 1 A 54 54 GLY H H 54 8.290 8.221 0.069 1
1 557 . 5 1 1 A 54 54 GLY HA2 H 54 4.226 4.091 0.135 1
1 558 . 5 1 1 A 54 54 GLY HA3 H 54 3.733 4.113 -0.380 1
1 559 . 5 1 1 A 54 54 GLY C C 54 173.761 174.670 -0.909 1
1 560 . 5 1 1 A 54 54 GLY CA C 54 46.147 45.204 0.943 1
1 561 . 5 1 1 A 54 54 GLY N N 54 113.723 110.378 3.345 1
1 562 . 5 1 1 A 55 55 LYS H H 55 8.598 7.289 1.309 1
1 563 . 5 1 1 A 55 55 LYS HA H 55 4.074 4.481 -0.407 1
1 572 . 5 1 1 A 55 55 LYS C C 55 174.748 175.858 -1.110 1
1 573 . 5 1 1 A 55 55 LYS CA C 55 58.270 56.034 2.236 1
1 574 . 5 1 1 A 55 55 LYS CB C 55 33.778 33.944 -0.166 1
1 578 . 5 1 1 A 55 55 LYS N N 55 124.175 120.001 4.174 1
1 579 . 5 1 1 A 56 56 THR H H 56 7.708 8.480 -0.772 1
1 580 . 5 1 1 A 56 56 THR HA H 56 5.028 5.455 -0.427 1
1 585 . 5 1 1 A 56 56 THR C C 56 173.673 173.627 0.046 1
1 586 . 5 1 1 A 56 56 THR CA C 56 60.779 60.017 0.762 1
1 587 . 5 1 1 A 56 56 THR CB C 56 70.823 70.732 0.091 1
1 589 . 5 1 1 A 56 56 THR N N 56 113.091 112.256 0.835 1
1 590 . 5 1 1 A 57 57 PHE H H 57 8.944 8.814 0.130 1
1 591 . 5 1 1 A 57 57 PHE HA H 57 4.850 4.963 -0.113 1
1 599 . 5 1 1 A 57 57 PHE C C 57 175.764 175.778 -0.014 1
1 600 . 5 1 1 A 57 57 PHE CA C 57 56.949 56.466 0.483 1
1 601 . 5 1 1 A 57 57 PHE CB C 57 43.729 43.826 -0.097 1
1 607 . 5 1 1 A 57 57 PHE N N 57 119.958 119.540 0.418 1
1 608 . 5 1 1 A 58 58 THR HA H 58 4.629 4.488 0.141 1
1 613 . 5 1 1 A 58 58 THR CA C 58 62.738 63.089 -0.351 1
1 614 . 5 1 1 A 58 58 THR CB C 58 69.810 69.401 0.409 1
1 616 . 5 1 1 A 59 59 ARG H H 59 7.422 7.904 -0.482 1
1 617 . 5 1 1 A 59 59 ARG HA H 59 4.740 4.653 0.087 1
1 624 . 5 1 1 A 59 59 ARG CA C 59 54.724 54.337 0.387 1
1 625 . 5 1 1 A 59 59 ARG CB C 59 33.659 32.636 1.023 1
1 628 . 5 1 1 A 59 59 ARG N N 59 118.359 120.951 -2.592 1
1 629 . 5 1 1 A 60 60 ARG HA H 60 2.949 3.318 -0.369 1
1 636 . 5 1 1 A 60 60 ARG CA C 60 59.468 58.102 1.366 1
1 637 . 5 1 1 A 60 60 ARG CB C 60 29.732 29.042 0.690 1
1 640 . 5 1 1 A 61 61 ASN HA H 61 4.332 4.366 -0.034 1
1 645 . 5 1 1 A 61 61 ASN C C 61 177.497 177.839 -0.342 1
1 646 . 5 1 1 A 61 61 ASN CA C 61 56.212 55.980 0.232 1
1 647 . 5 1 1 A 61 61 ASN CB C 61 37.142 38.358 -1.216 1
1 649 . 5 1 1 A 62 62 THR H H 62 7.076 8.080 -1.004 1
1 650 . 5 1 1 A 62 62 THR HA H 62 3.893 3.870 0.023 1
1 655 . 5 1 1 A 62 62 THR C C 62 176.684 175.244 1.440 1
1 656 . 5 1 1 A 62 62 THR CA C 62 65.025 67.127 -2.102 1
1 657 . 5 1 1 A 62 62 THR CB C 62 68.112 68.564 -0.452 1
1 659 . 5 1 1 A 62 62 THR N N 62 115.050 115.879 -0.829 1
1 660 . 5 1 1 A 63 63 MET H H 63 7.149 7.773 -0.624 1
1 661 . 5 1 1 A 63 63 MET HA H 63 2.545 2.773 -0.228 1
1 669 . 5 1 1 A 63 63 MET C C 63 176.978 177.614 -0.636 1
1 670 . 5 1 1 A 63 63 MET CA C 63 58.791 57.977 0.814 1
1 671 . 5 1 1 A 63 63 MET CB C 63 31.556 31.705 -0.149 1
1 674 . 5 1 1 A 63 63 MET N N 63 122.700 119.714 2.986 1
1 675 . 5 1 1 A 64 64 ALA H H 64 8.383 8.229 0.154 1
1 676 . 5 1 1 A 64 64 ALA HA H 64 3.944 3.919 0.025 1
1 680 . 5 1 1 A 64 64 ALA C C 64 179.879 179.800 0.079 1
1 681 . 5 1 1 A 64 64 ALA CA C 64 55.324 55.278 0.046 1
1 682 . 5 1 1 A 64 64 ALA CB C 64 18.033 18.408 -0.375 1
1 683 . 5 1 1 A 64 64 ALA N N 64 122.001 121.337 0.664 1
1 684 . 5 1 1 A 65 65 ARG H H 65 7.574 7.718 -0.144 1
1 685 . 5 1 1 A 65 65 ARG HA H 65 4.139 4.002 0.137 1
1 692 . 5 1 1 A 65 65 ARG C C 65 178.946 179.112 -0.166 1
1 693 . 5 1 1 A 65 65 ARG CA C 65 58.182 59.443 -1.261 1
1 694 . 5 1 1 A 65 65 ARG CB C 65 30.153 29.699 0.454 1
1 697 . 5 1 1 A 65 65 ARG N N 65 116.551 117.863 -1.312 1
1 698 . 5 1 1 A 66 66 HIS H H 66 7.455 7.913 -0.458 1
1 699 . 5 1 1 A 66 66 HIS HA H 66 4.271 4.306 -0.035 1
1 704 . 5 1 1 A 66 66 HIS C C 66 177.633 176.393 1.240 1
1 705 . 5 1 1 A 66 66 HIS CA C 66 59.046 59.817 -0.771 1
1 706 . 5 1 1 A 66 66 HIS CB C 66 27.820 29.630 -1.810 1
1 709 . 5 1 1 A 66 66 HIS N N 66 118.483 119.847 -1.364 1
1 710 . 5 1 1 A 67 67 ALA H H 67 8.869 8.174 0.695 1
1 711 . 5 1 1 A 67 67 ALA HA H 67 3.968 3.788 0.180 1
1 715 . 5 1 1 A 67 67 ALA C C 67 179.374 179.030 0.344 1
1 716 . 5 1 1 A 67 67 ALA CA C 67 55.186 55.167 0.019 1
1 717 . 5 1 1 A 67 67 ALA CB C 67 18.851 18.312 0.539 1
1 718 . 5 1 1 A 67 67 ALA N N 67 122.114 120.447 1.667 1
1 719 . 5 1 1 A 68 68 ASP H H 68 7.476 7.776 -0.300 1
1 720 . 5 1 1 A 68 68 ASP HA H 68 4.401 4.276 0.125 1
1 723 . 5 1 1 A 68 68 ASP C C 68 176.580 177.885 -1.305 1
1 724 . 5 1 1 A 68 68 ASP CA C 68 56.772 57.694 -0.922 1
1 725 . 5 1 1 A 68 68 ASP CB C 68 40.945 41.862 -0.917 1
1 726 . 5 1 1 A 68 68 ASP N N 68 116.466 118.211 -1.745 1
1 727 . 5 1 1 A 69 69 ASN H H 69 7.227 7.366 -0.139 1
1 728 . 5 1 1 A 69 69 ASN HA H 69 4.905 4.739 0.166 1
1 733 . 5 1 1 A 69 69 ASN C C 69 173.603 174.990 -1.387 1
1 734 . 5 1 1 A 69 69 ASN CA C 69 52.518 53.758 -1.240 1
1 735 . 5 1 1 A 69 69 ASN CB C 69 40.657 38.860 1.797 1
1 736 . 5 1 1 A 69 69 ASN N N 69 114.158 114.498 -0.340 1
1 738 . 5 1 1 A 70 70 CYS H H 70 7.201 7.221 -0.020 1
1 739 . 5 1 1 A 70 70 CYS HA H 70 3.902 4.244 -0.342 1
1 742 . 5 1 1 A 70 70 CYS C C 70 175.424 175.205 0.219 1
1 743 . 5 1 1 A 70 70 CYS CA C 70 61.195 58.902 2.293 1
1 744 . 5 1 1 A 70 70 CYS CB C 70 29.288 28.411 0.877 1
1 745 . 5 1 1 A 70 70 CYS N N 70 124.154 119.664 4.490 1
1 746 . 5 1 1 A 71 71 ALA H H 71 8.783 8.493 0.290 1
1 747 . 5 1 1 A 71 71 ALA HA H 71 4.562 4.501 0.061 1
1 751 . 5 1 1 A 71 71 ALA C C 71 177.513 177.652 -0.139 1
1 752 . 5 1 1 A 71 71 ALA CA C 71 51.926 51.216 0.710 1
1 753 . 5 1 1 A 71 71 ALA CB C 71 19.698 19.654 0.044 1
1 754 . 5 1 1 A 71 71 ALA N N 71 131.493 128.856 2.637 1
1 755 . 5 1 1 A 72 72 GLY H H 72 8.645 7.781 0.864 1
1 756 . 5 1 1 A 72 72 GLY HA2 H 72 4.469 4.233 0.236 1
1 757 . 5 1 1 A 72 72 GLY HA3 H 72 3.628 4.241 -0.613 1
1 758 . 5 1 1 A 72 72 GLY C C 72 171.320 173.561 -2.241 1
1 759 . 5 1 1 A 72 72 GLY CA C 72 44.286 44.420 -0.134 1
1 760 . 5 1 1 A 72 72 GLY N N 72 110.083 107.140 2.943 1
1 761 . 5 1 1 A 73 73 PRO HA H 73 4.470 4.686 -0.216 1
1 768 . 5 1 1 A 73 73 PRO C C 73 176.905 175.571 1.334 1
1 769 . 5 1 1 A 73 73 PRO CA C 73 63.706 62.733 0.973 1
1 770 . 5 1 1 A 73 73 PRO CB C 73 32.344 33.496 -1.152 1
1 773 . 5 1 1 A 74 74 ASP H H 74 8.506 8.468 0.038 1
1 774 . 5 1 1 A 74 74 ASP HA H 74 4.659 5.346 -0.687 1
1 777 . 5 1 1 A 74 74 ASP C C 74 176.869 175.249 1.620 1
1 778 . 5 1 1 A 74 74 ASP CA C 74 54.617 52.532 2.085 1
1 779 . 5 1 1 A 74 74 ASP CB C 74 41.335 44.828 -3.493 1
1 780 . 5 1 1 A 74 74 ASP N N 74 120.155 117.498 2.657 1
1 781 . 5 1 1 A 75 75 GLY H H 75 8.257 8.676 -0.419 1
1 782 . 5 1 1 A 75 75 GLY HA2 H 75 4.072 4.068 0.004 1
1 783 . 5 1 1 A 75 75 GLY HA3 H 75 3.965 4.069 -0.104 1
1 784 . 5 1 1 A 75 75 GLY C C 75 174.256 174.496 -0.240 1
1 785 . 5 1 1 A 75 75 GLY CA C 75 45.653 44.342 1.311 1
1 786 . 5 1 1 A 75 75 GLY N N 75 108.913 107.617 1.296 1
1 787 . 5 1 1 A 76 76 VAL H H 76 8.079 8.622 -0.543 1
1 788 . 5 1 1 A 76 76 VAL HA H 76 4.169 3.636 0.533 1
1 796 . 5 1 1 A 76 76 VAL C C 76 176.347 174.739 1.608 1
1 797 . 5 1 1 A 76 76 VAL CA C 76 62.295 62.879 -0.584 1
1 798 . 5 1 1 A 76 76 VAL CB C 76 32.871 30.365 2.506 1
1 801 . 5 1 1 A 76 76 VAL N N 76 119.508 117.503 2.005 1
1 802 . 5 1 1 A 77 77 GLU H H 77 8.619 7.988 0.631 1
1 803 . 5 1 1 A 77 77 GLU HA H 77 4.310 4.881 -0.571 1
1 808 . 5 1 1 A 77 77 GLU C C 77 177.046 176.283 0.763 1
1 809 . 5 1 1 A 77 77 GLU CA C 77 56.966 55.057 1.909 1
1 810 . 5 1 1 A 77 77 GLU CB C 77 30.318 32.596 -2.278 1
1 812 . 5 1 1 A 77 77 GLU N N 77 125.001 118.305 6.696 1
1 813 . 5 1 1 A 78 78 GLY H H 78 8.446 8.704 -0.258 1
1 814 . 5 1 1 A 78 78 GLY HA2 H 78 3.987 4.186 -0.199 1
1 815 . 5 1 1 A 78 78 GLY HA3 H 78 3.987 4.187 -0.200 1
1 816 . 5 1 1 A 78 78 GLY C C 78 174.238 173.492 0.746 1
1 817 . 5 1 1 A 78 78 GLY CA C 78 45.283 45.864 -0.581 1
1 818 . 5 1 1 A 78 78 GLY N N 78 110.357 107.378 2.979 1
1 819 . 5 1 1 A 79 79 GLU H H 79 8.313 8.081 0.232 1
1 820 . 5 1 1 A 79 79 GLU HA H 79 4.309 4.718 -0.409 1
1 825 . 5 1 1 A 79 79 GLU C C 79 176.509 175.533 0.976 1
1 826 . 5 1 1 A 79 79 GLU CA C 79 56.755 55.390 1.365 1
1 827 . 5 1 1 A 79 79 GLU CB C 79 30.317 32.035 -1.718 1
1 829 . 5 1 1 A 79 79 GLU N N 79 120.638 119.930 0.708 1
1 830 . 5 1 1 A 80 80 ASN H H 80 8.588 8.781 -0.193 1
1 831 . 5 1 1 A 80 80 ASN HA H 80 4.801 5.312 -0.511 1
1 834 . 5 1 1 A 80 80 ASN C C 80 175.202 173.272 1.930 1
1 835 . 5 1 1 A 80 80 ASN CA C 80 53.336 52.303 1.033 1
1 836 . 5 1 1 A 80 80 ASN CB C 80 39.051 42.703 -3.652 1
1 837 . 5 1 1 A 80 80 ASN N N 80 119.808 120.903 -1.095 1
1 838 . 5 1 1 A 81 81 SER H H 81 8.322 8.466 -0.144 1
1 839 . 5 1 1 A 81 81 SER HA H 81 4.517 5.362 -0.845 1
1 842 . 5 1 1 A 81 81 SER C C 81 174.643 173.482 1.161 1
1 843 . 5 1 1 A 81 81 SER CA C 81 58.499 56.987 1.512 1
1 844 . 5 1 1 A 81 81 SER CB C 81 64.056 66.824 -2.768 1
1 845 . 5 1 1 A 81 81 SER N N 81 116.318 117.461 -1.143 1
1 846 . 5 1 1 A 82 82 GLY H H 82 8.303 8.244 0.059 1
1 847 . 5 1 1 A 82 82 GLY HA2 H 82 4.170 4.173 -0.003 1
1 848 . 5 1 1 A 82 82 GLY HA3 H 82 4.125 4.174 -0.049 1
1 849 . 5 1 1 A 82 82 GLY C C 82 171.855 171.097 0.758 1
1 850 . 5 1 1 A 82 82 GLY CA C 82 44.719 45.320 -0.601 1
1 851 . 5 1 1 A 82 82 GLY N N 82 110.706 109.071 1.635 1
1 852 . 5 1 1 A 83 83 PRO HA H 83 4.498 4.607 -0.109 1
1 859 . 5 1 1 A 83 83 PRO C C 83 177.459 176.609 0.850 1
1 860 . 5 1 1 A 83 83 PRO CA C 83 63.274 62.684 0.590 1
1 861 . 5 1 1 A 83 83 PRO CB C 83 32.254 32.414 -0.160 1
1 864 . 5 1 1 A 84 84 SER H H 84 8.541 8.407 0.134 1
1 865 . 5 1 1 A 84 84 SER HA H 84 4.508 4.868 -0.360 1
1 868 . 5 1 1 A 84 84 SER C C 84 174.744 173.927 0.817 1
1 869 . 5 1 1 A 84 84 SER CA C 84 58.412 56.787 1.625 1
1 870 . 5 1 1 A 84 84 SER CB C 84 64.056 65.612 -1.556 1
1 871 . 5 1 1 A 84 84 SER N N 84 116.449 114.960 1.489 1
1 872 . 5 1 1 A 85 85 SER H H 85 8.353 8.541 -0.188 1
1 873 . 5 1 1 A 85 85 SER HA H 85 4.517 5.082 -0.565 1
1 876 . 5 1 1 A 85 85 SER C C 85 173.953 174.178 -0.225 1
1 877 . 5 1 1 A 85 85 SER CA C 85 58.492 57.180 1.312 1
1 878 . 5 1 1 A 85 85 SER CB C 85 64.138 66.950 -2.812 1
1 879 . 5 1 1 A 85 85 SER N N 85 117.940 115.886 2.054 1
1 1 . 6 1 1 A 8 8 ARG HA H 8 4.432 4.620 -0.188 1
1 7 . 6 1 1 A 8 8 ARG CA C 8 56.069 54.618 1.451 1
1 8 . 6 1 1 A 8 8 ARG CB C 8 30.974 32.102 -1.128 1
1 14 . 6 1 1 A 9 9 THR CB C 9 69.816 69.742 0.074 1
1 16 . 6 1 1 A 10 10 HIS HA H 10 4.730 4.618 0.112 1
1 21 . 6 1 1 A 10 10 HIS CA C 10 56.345 55.063 1.282 1
1 22 . 6 1 1 A 10 10 HIS CB C 10 31.058 29.090 1.968 1
1 28 . 6 1 1 A 11 11 THR CB C 11 69.816 72.226 -2.410 1
1 30 . 6 1 1 A 12 12 GLY HA2 H 12 3.978 4.215 -0.237 1
1 31 . 6 1 1 A 12 12 GLY HA3 H 12 3.978 4.218 -0.240 1
1 32 . 6 1 1 A 12 12 GLY CA C 12 45.442 46.220 -0.778 1
1 33 . 6 1 1 A 13 13 GLU H H 13 8.243 8.824 -0.581 1
1 34 . 6 1 1 A 13 13 GLU HA H 13 4.235 3.939 0.296 1
1 39 . 6 1 1 A 13 13 GLU CA C 13 56.898 57.269 -0.371 1
1 40 . 6 1 1 A 13 13 GLU CB C 13 30.495 28.301 2.194 1
1 42 . 6 1 1 A 13 13 GLU N N 13 120.364 121.539 -1.175 1
1 43 . 6 1 1 A 14 14 LYS H H 14 8.276 8.027 0.249 1
1 44 . 6 1 1 A 14 14 LYS HA H 14 4.528 4.386 0.142 1
1 53 . 6 1 1 A 14 14 LYS CA C 14 54.009 55.175 -1.166 1
1 54 . 6 1 1 A 14 14 LYS CB C 14 32.667 32.528 0.139 1
1 58 . 6 1 1 A 14 14 LYS N N 14 121.981 119.992 1.989 1
1 59 . 6 1 1 A 15 15 PRO HA H 15 4.347 4.359 -0.012 1
1 66 . 6 1 1 A 15 15 PRO CA C 15 63.237 64.963 -1.726 1
1 67 . 6 1 1 A 15 15 PRO CB C 15 32.365 31.730 0.635 1
1 70 . 6 1 1 A 16 16 TYR H H 16 8.234 7.944 0.290 1
1 71 . 6 1 1 A 16 16 TYR HA H 16 4.508 4.706 -0.198 1
1 78 . 6 1 1 A 16 16 TYR C C 16 174.453 175.168 -0.715 1
1 79 . 6 1 1 A 16 16 TYR CA C 16 58.076 57.523 0.553 1
1 80 . 6 1 1 A 16 16 TYR CB C 16 38.346 38.151 0.195 1
1 85 . 6 1 1 A 16 16 TYR N N 16 118.751 117.927 0.824 1
1 86 . 6 1 1 A 17 17 ALA H H 17 8.567 9.015 -0.448 1
1 87 . 6 1 1 A 17 17 ALA HA H 17 4.754 5.410 -0.656 1
1 91 . 6 1 1 A 17 17 ALA C C 17 176.249 176.690 -0.441 1
1 92 . 6 1 1 A 17 17 ALA CA C 17 51.274 50.409 0.865 1
1 93 . 6 1 1 A 17 17 ALA CB C 17 20.625 21.370 -0.745 1
1 94 . 6 1 1 A 17 17 ALA N N 17 127.897 127.938 -0.041 1
1 95 . 6 1 1 A 18 18 CYS H H 18 8.464 9.187 -0.723 1
1 96 . 6 1 1 A 18 18 CYS HA H 18 4.538 4.466 0.072 1
1 99 . 6 1 1 A 18 18 CYS C C 18 175.739 176.572 -0.833 1
1 100 . 6 1 1 A 18 18 CYS CA C 18 60.966 60.360 0.606 1
1 101 . 6 1 1 A 18 18 CYS CB C 18 29.435 28.748 0.687 1
1 102 . 6 1 1 A 18 18 CYS N N 18 125.366 123.208 2.158 1
1 103 . 6 1 1 A 19 19 SER H H 19 8.439 8.983 -0.544 1
1 104 . 6 1 1 A 19 19 SER HA H 19 4.426 4.360 0.066 1
1 107 . 6 1 1 A 19 19 SER C C 19 175.890 176.618 -0.728 1
1 108 . 6 1 1 A 19 19 SER CA C 19 60.085 60.931 -0.846 1
1 109 . 6 1 1 A 19 19 SER CB C 19 64.097 63.525 0.572 1
1 110 . 6 1 1 A 19 19 SER N N 19 121.912 121.578 0.334 1
1 111 . 6 1 1 A 20 20 HIS H H 20 9.949 8.451 1.498 1
1 112 . 6 1 1 A 20 20 HIS HA H 20 4.579 4.412 0.167 1
1 117 . 6 1 1 A 20 20 HIS C C 20 174.670 175.629 -0.959 1
1 118 . 6 1 1 A 20 20 HIS CA C 20 57.354 58.826 -1.472 1
1 119 . 6 1 1 A 20 20 HIS CB C 20 30.787 29.361 1.426 1
1 122 . 6 1 1 A 20 20 HIS N N 20 126.154 118.786 7.368 1
1 123 . 6 1 1 A 21 21 CYS H H 21 7.972 8.011 -0.039 1
1 124 . 6 1 1 A 21 21 CYS HA H 21 4.947 4.891 0.056 1
1 127 . 6 1 1 A 21 21 CYS C C 21 172.879 173.621 -0.742 1
1 128 . 6 1 1 A 21 21 CYS CA C 21 58.891 56.814 2.077 1
1 129 . 6 1 1 A 21 21 CYS CB C 21 29.766 30.953 -1.187 1
1 130 . 6 1 1 A 21 21 CYS N N 21 119.638 114.610 5.028 1
1 131 . 6 1 1 A 22 22 ASP H H 22 8.167 8.828 -0.661 1
1 132 . 6 1 1 A 22 22 ASP HA H 22 4.668 4.847 -0.179 1
1 135 . 6 1 1 A 22 22 ASP C C 22 176.857 174.954 1.903 1
1 136 . 6 1 1 A 22 22 ASP CA C 22 54.587 52.987 1.600 1
1 137 . 6 1 1 A 22 22 ASP CB C 22 40.758 40.354 0.404 1
1 138 . 6 1 1 A 22 22 ASP N N 22 115.180 122.005 -6.825 1
1 139 . 6 1 1 A 23 23 LYS H H 23 8.407 7.657 0.750 1
1 140 . 6 1 1 A 23 23 LYS HA H 23 4.085 4.748 -0.663 1
1 148 . 6 1 1 A 23 23 LYS C C 23 175.732 175.944 -0.212 1
1 149 . 6 1 1 A 23 23 LYS CA C 23 57.537 54.455 3.082 1
1 150 . 6 1 1 A 23 23 LYS CB C 23 33.593 35.175 -1.582 1
1 154 . 6 1 1 A 23 23 LYS N N 23 122.302 121.263 1.039 1
1 155 . 6 1 1 A 24 24 THR H H 24 7.462 8.403 -0.941 1
1 156 . 6 1 1 A 24 24 THR HA H 24 5.018 5.668 -0.650 1
1 161 . 6 1 1 A 24 24 THR C C 24 173.047 172.761 0.286 1
1 162 . 6 1 1 A 24 24 THR CA C 24 59.500 58.901 0.599 1
1 163 . 6 1 1 A 24 24 THR CB C 24 71.795 72.243 -0.448 1
1 165 . 6 1 1 A 24 24 THR N N 24 110.405 111.976 -1.571 1
1 166 . 6 1 1 A 25 25 PHE H H 25 8.750 8.978 -0.228 1
1 167 . 6 1 1 A 25 25 PHE HA H 25 4.886 4.887 -0.001 1
1 175 . 6 1 1 A 25 25 PHE C C 25 175.982 175.572 0.410 1
1 176 . 6 1 1 A 25 25 PHE CA C 25 57.301 56.385 0.916 1
1 177 . 6 1 1 A 25 25 PHE CB C 25 44.782 42.830 1.952 1
1 183 . 6 1 1 A 25 25 PHE N N 25 116.161 118.029 -1.868 1
1 184 . 6 1 1 A 26 26 ARG HA H 26 4.550 4.240 0.310 1
1 191 . 6 1 1 A 26 26 ARG C C 26 175.820 175.852 -0.032 1
1 192 . 6 1 1 A 26 26 ARG CA C 26 57.830 59.376 -1.546 1
1 193 . 6 1 1 A 26 26 ARG CB C 26 31.465 30.571 0.894 1
1 196 . 6 1 1 A 27 27 GLN H H 27 7.052 7.905 -0.853 1
1 197 . 6 1 1 A 27 27 GLN HA H 27 4.820 4.329 0.491 1
1 204 . 6 1 1 A 27 27 GLN C C 27 175.929 176.271 -0.342 1
1 205 . 6 1 1 A 27 27 GLN CA C 27 53.971 54.275 -0.304 1
1 206 . 6 1 1 A 27 27 GLN CB C 27 32.968 30.202 2.766 1
1 208 . 6 1 1 A 27 27 GLN N N 27 111.833 116.783 -4.950 1
1 210 . 6 1 1 A 28 28 LYS H H 28 8.616 8.184 0.432 1
1 211 . 6 1 1 A 28 28 LYS HA H 28 3.013 3.555 -0.542 1
1 220 . 6 1 1 A 28 28 LYS C C 28 177.891 178.573 -0.682 1
1 221 . 6 1 1 A 28 28 LYS CA C 28 59.351 58.686 0.665 1
1 222 . 6 1 1 A 28 28 LYS CB C 28 31.901 31.824 0.077 1
1 226 . 6 1 1 A 28 28 LYS N N 28 127.969 121.470 6.499 1
1 227 . 6 1 1 A 29 29 GLN H H 29 9.039 7.865 1.174 1
1 228 . 6 1 1 A 29 29 GLN HA H 29 4.110 3.942 0.168 1
1 235 . 6 1 1 A 29 29 GLN C C 29 178.275 178.588 -0.313 1
1 236 . 6 1 1 A 29 29 GLN CA C 29 59.073 58.760 0.313 1
1 237 . 6 1 1 A 29 29 GLN CB C 29 27.673 28.035 -0.362 1
1 239 . 6 1 1 A 29 29 GLN N N 29 116.426 119.099 -2.673 1
1 241 . 6 1 1 A 30 30 LEU H H 30 6.687 7.440 -0.753 1
1 242 . 6 1 1 A 30 30 LEU HA H 30 4.105 3.888 0.217 1
1 252 . 6 1 1 A 30 30 LEU C C 30 179.455 178.908 0.547 1
1 253 . 6 1 1 A 30 30 LEU CA C 30 56.878 57.743 -0.865 1
1 254 . 6 1 1 A 30 30 LEU CB C 30 41.552 41.626 -0.074 1
1 258 . 6 1 1 A 30 30 LEU N N 30 116.469 119.720 -3.251 1
1 259 . 6 1 1 A 31 31 LEU H H 31 6.875 7.462 -0.587 1
1 260 . 6 1 1 A 31 31 LEU HA H 31 3.174 2.618 0.556 1
1 270 . 6 1 1 A 31 31 LEU C C 31 177.599 178.092 -0.493 1
1 271 . 6 1 1 A 31 31 LEU CA C 31 57.829 56.980 0.849 1
1 272 . 6 1 1 A 31 31 LEU CB C 31 39.945 40.786 -0.841 1
1 276 . 6 1 1 A 31 31 LEU N N 31 122.863 119.515 3.348 1
1 277 . 6 1 1 A 32 32 ASP H H 32 8.429 8.074 0.355 1
1 278 . 6 1 1 A 32 32 ASP HA H 32 4.356 4.212 0.144 1
1 281 . 6 1 1 A 32 32 ASP C C 32 179.142 178.009 1.133 1
1 282 . 6 1 1 A 32 32 ASP CA C 32 57.830 57.101 0.729 1
1 283 . 6 1 1 A 32 32 ASP CB C 32 39.978 40.831 -0.853 1
1 284 . 6 1 1 A 32 32 ASP N N 32 120.350 119.174 1.176 1
1 285 . 6 1 1 A 33 33 MET H H 33 7.738 8.110 -0.372 1
1 286 . 6 1 1 A 33 33 MET HA H 33 4.167 3.629 0.538 1
1 294 . 6 1 1 A 33 33 MET C C 33 178.463 178.028 0.435 1
1 295 . 6 1 1 A 33 33 MET CA C 33 58.454 58.005 0.449 1
1 296 . 6 1 1 A 33 33 MET CB C 33 32.924 32.121 0.803 1
1 299 . 6 1 1 A 33 33 MET N N 33 118.109 118.759 -0.650 1
1 300 . 6 1 1 A 34 34 HIS H H 34 7.632 8.103 -0.471 1
1 301 . 6 1 1 A 34 34 HIS HA H 34 4.396 4.235 0.161 1
1 306 . 6 1 1 A 34 34 HIS C C 34 176.258 176.631 -0.373 1
1 307 . 6 1 1 A 34 34 HIS CA C 34 59.715 59.045 0.670 1
1 308 . 6 1 1 A 34 34 HIS CB C 34 28.594 29.626 -1.032 1
1 311 . 6 1 1 A 34 34 HIS N N 34 120.242 120.610 -0.368 1
1 312 . 6 1 1 A 35 35 PHE H H 35 9.373 7.651 1.722 1
1 313 . 6 1 1 A 35 35 PHE HA H 35 3.726 3.852 -0.126 1
1 321 . 6 1 1 A 35 35 PHE C C 35 178.043 177.177 0.866 1
1 322 . 6 1 1 A 35 35 PHE CA C 35 62.870 61.176 1.694 1
1 323 . 6 1 1 A 35 35 PHE CB C 35 39.846 39.207 0.639 1
1 329 . 6 1 1 A 35 35 PHE N N 35 121.691 120.142 1.549 1
1 330 . 6 1 1 A 36 36 LYS H H 36 7.861 7.798 0.063 1
1 331 . 6 1 1 A 36 36 LYS HA H 36 4.139 4.453 -0.314 1
1 340 . 6 1 1 A 36 36 LYS C C 36 176.843 178.417 -1.574 1
1 341 . 6 1 1 A 36 36 LYS CA C 36 58.198 58.449 -0.251 1
1 342 . 6 1 1 A 36 36 LYS CB C 36 32.906 32.220 0.686 1
1 346 . 6 1 1 A 36 36 LYS N N 36 118.022 118.036 -0.014 1
1 347 . 6 1 1 A 37 37 ARG H H 37 7.298 7.598 -0.300 1
1 348 . 6 1 1 A 37 37 ARG HA H 37 3.717 4.273 -0.556 1
1 355 . 6 1 1 A 37 37 ARG C C 37 177.872 178.432 -0.560 1
1 356 . 6 1 1 A 37 37 ARG CA C 37 57.874 58.210 -0.336 1
1 357 . 6 1 1 A 37 37 ARG CB C 37 30.619 30.876 -0.257 1
1 360 . 6 1 1 A 37 37 ARG N N 37 114.740 120.392 -5.652 1
1 361 . 6 1 1 A 38 38 TYR H H 38 7.779 8.433 -0.654 1
1 362 . 6 1 1 A 38 38 TYR HA H 38 4.146 4.154 -0.008 1
1 369 . 6 1 1 A 38 38 TYR C C 38 176.160 178.544 -2.384 1
1 370 . 6 1 1 A 38 38 TYR CA C 38 59.941 60.146 -0.205 1
1 371 . 6 1 1 A 38 38 TYR CB C 38 38.516 37.988 0.528 1
1 376 . 6 1 1 A 38 38 TYR N N 38 112.257 118.829 -6.572 1
1 377 . 6 1 1 A 39 39 HIS H H 39 7.679 7.683 -0.004 1
1 378 . 6 1 1 A 39 39 HIS HA H 39 4.943 4.407 0.536 1
1 383 . 6 1 1 A 39 39 HIS C C 39 173.845 174.731 -0.886 1
1 384 . 6 1 1 A 39 39 HIS CA C 39 54.045 58.186 -4.141 1
1 385 . 6 1 1 A 39 39 HIS CB C 39 29.490 29.195 0.295 1
1 388 . 6 1 1 A 39 39 HIS N N 39 114.679 116.575 -1.896 1
1 389 . 6 1 1 A 40 40 ASP H H 40 7.317 7.813 -0.496 1
1 390 . 6 1 1 A 40 40 ASP HA H 40 4.800 4.910 -0.110 1
1 393 . 6 1 1 A 40 40 ASP C C 40 175.035 174.937 0.098 1
1 394 . 6 1 1 A 40 40 ASP CA C 40 51.697 50.665 1.032 1
1 395 . 6 1 1 A 40 40 ASP CB C 40 42.630 42.943 -0.313 1
1 396 . 6 1 1 A 40 40 ASP N N 40 119.125 117.977 1.148 1
1 397 . 6 1 1 A 41 41 PRO HA H 41 4.552 4.393 0.159 1
1 404 . 6 1 1 A 41 41 PRO C C 41 177.331 177.627 -0.296 1
1 405 . 6 1 1 A 41 41 PRO CA C 41 64.019 64.097 -0.078 1
1 406 . 6 1 1 A 41 41 PRO CB C 41 32.235 31.809 0.426 1
1 409 . 6 1 1 A 42 42 ASN H H 42 8.484 8.636 -0.152 1
1 410 . 6 1 1 A 42 42 ASN HA H 42 4.703 4.548 0.155 1
1 415 . 6 1 1 A 42 42 ASN C C 42 174.879 176.501 -1.622 1
1 416 . 6 1 1 A 42 42 ASN CA C 42 53.371 56.337 -2.966 1
1 417 . 6 1 1 A 42 42 ASN CB C 42 39.009 38.654 0.355 1
1 418 . 6 1 1 A 42 42 ASN N N 42 116.107 116.760 -0.653 1
1 420 . 6 1 1 A 43 43 PHE H H 43 7.741 7.633 0.108 1
1 421 . 6 1 1 A 43 43 PHE HA H 43 4.448 4.386 0.062 1
1 429 . 6 1 1 A 43 43 PHE CA C 43 58.640 59.827 -1.187 1
1 430 . 6 1 1 A 43 43 PHE CB C 43 40.203 39.937 0.266 1
1 436 . 6 1 1 A 43 43 PHE N N 43 121.284 119.006 2.278 1
1 437 . 6 1 1 A 44 44 VAL H H 44 7.718 7.972 -0.254 1
1 438 . 6 1 1 A 44 44 VAL HA H 44 4.221 4.727 -0.506 1
1 446 . 6 1 1 A 44 44 VAL C C 44 173.190 173.617 -0.427 1
1 447 . 6 1 1 A 44 44 VAL CA C 44 59.177 58.406 0.771 1
1 448 . 6 1 1 A 44 44 VAL CB C 44 33.260 34.969 -1.709 1
1 451 . 6 1 1 A 44 44 VAL N N 44 126.832 126.168 0.664 1
1 452 . 6 1 1 A 45 45 PRO HA H 45 4.114 4.644 -0.530 1
1 459 . 6 1 1 A 45 45 PRO C C 45 176.031 176.907 -0.876 1
1 460 . 6 1 1 A 45 45 PRO CA C 45 62.732 62.503 0.229 1
1 461 . 6 1 1 A 45 45 PRO CB C 45 32.197 32.625 -0.428 1
1 464 . 6 1 1 A 46 46 ALA H H 46 8.199 8.357 -0.158 1
1 465 . 6 1 1 A 46 46 ALA HA H 46 4.161 4.471 -0.310 1
1 469 . 6 1 1 A 46 46 ALA C C 46 176.631 176.566 0.065 1
1 470 . 6 1 1 A 46 46 ALA CA C 46 52.105 52.075 0.030 1
1 471 . 6 1 1 A 46 46 ALA CB C 46 19.315 19.665 -0.350 1
1 472 . 6 1 1 A 46 46 ALA N N 46 124.122 124.598 -0.476 1
1 473 . 6 1 1 A 47 47 ALA H H 47 7.755 8.555 -0.800 1
1 474 . 6 1 1 A 47 47 ALA HA H 47 4.218 5.082 -0.864 1
1 478 . 6 1 1 A 47 47 ALA C C 47 176.322 175.412 0.910 1
1 479 . 6 1 1 A 47 47 ALA CA C 47 52.140 50.517 1.623 1
1 480 . 6 1 1 A 47 47 ALA CB C 47 20.283 20.413 -0.130 1
1 481 . 6 1 1 A 47 47 ALA N N 47 121.689 126.527 -4.838 1
1 482 . 6 1 1 A 48 48 PHE H H 48 8.323 8.693 -0.370 1
1 483 . 6 1 1 A 48 48 PHE HA H 48 4.782 5.124 -0.342 1
1 491 . 6 1 1 A 48 48 PHE C C 48 174.258 174.400 -0.142 1
1 492 . 6 1 1 A 48 48 PHE CA C 48 57.108 56.698 0.410 1
1 493 . 6 1 1 A 48 48 PHE CB C 48 40.615 40.808 -0.193 1
1 499 . 6 1 1 A 48 48 PHE N N 48 118.583 121.817 -3.234 1
1 500 . 6 1 1 A 49 49 VAL H H 49 8.584 9.098 -0.514 1
1 501 . 6 1 1 A 49 49 VAL HA H 49 4.829 5.015 -0.186 1
1 509 . 6 1 1 A 49 49 VAL C C 49 175.667 175.695 -0.028 1
1 510 . 6 1 1 A 49 49 VAL CA C 49 60.508 61.431 -0.923 1
1 511 . 6 1 1 A 49 49 VAL CB C 49 35.158 33.854 1.304 1
1 514 . 6 1 1 A 49 49 VAL N N 49 123.555 124.382 -0.827 1
1 515 . 6 1 1 A 50 50 CYS H H 50 9.170 9.009 0.161 1
1 516 . 6 1 1 A 50 50 CYS HA H 50 4.593 4.601 -0.008 1
1 519 . 6 1 1 A 50 50 CYS C C 50 177.661 175.719 1.942 1
1 520 . 6 1 1 A 50 50 CYS CA C 50 59.909 60.178 -0.269 1
1 521 . 6 1 1 A 50 50 CYS CB C 50 30.835 28.616 2.219 1
1 522 . 6 1 1 A 50 50 CYS N N 50 128.866 127.945 0.921 1
1 523 . 6 1 1 A 51 51 SER H H 51 9.205 9.007 0.198 1
1 524 . 6 1 1 A 51 51 SER HA H 51 4.271 4.551 -0.280 1
1 527 . 6 1 1 A 51 51 SER C C 51 174.401 174.970 -0.569 1
1 528 . 6 1 1 A 51 51 SER CA C 51 60.890 59.154 1.736 1
1 529 . 6 1 1 A 51 51 SER CB C 51 63.231 63.690 -0.459 1
1 530 . 6 1 1 A 51 51 SER N N 51 128.162 122.568 5.594 1
1 531 . 6 1 1 A 52 52 LYS H H 52 9.118 7.628 1.490 1
1 532 . 6 1 1 A 52 52 LYS HA H 52 4.421 4.311 0.110 1
1 541 . 6 1 1 A 52 52 LYS C C 52 177.831 178.265 -0.434 1
1 542 . 6 1 1 A 52 52 LYS CA C 52 58.535 58.329 0.206 1
1 543 . 6 1 1 A 52 52 LYS CB C 52 34.152 33.312 0.840 1
1 547 . 6 1 1 A 52 52 LYS N N 52 123.970 119.980 3.990 1
1 548 . 6 1 1 A 53 53 CYS H H 53 8.241 8.153 0.088 1
1 549 . 6 1 1 A 53 53 CYS HA H 53 4.999 4.608 0.391 1
1 552 . 6 1 1 A 53 53 CYS C C 53 176.529 175.382 1.147 1
1 553 . 6 1 1 A 53 53 CYS CA C 53 58.587 59.692 -1.105 1
1 554 . 6 1 1 A 53 53 CYS CB C 53 33.353 29.441 3.912 1
1 555 . 6 1 1 A 53 53 CYS N N 53 115.684 114.034 1.650 1
1 556 . 6 1 1 A 54 54 GLY H H 54 8.290 8.144 0.146 1
1 557 . 6 1 1 A 54 54 GLY HA2 H 54 4.226 4.072 0.154 1
1 558 . 6 1 1 A 54 54 GLY HA3 H 54 3.733 4.093 -0.360 1
1 559 . 6 1 1 A 54 54 GLY C C 54 173.761 174.532 -0.771 1
1 560 . 6 1 1 A 54 54 GLY CA C 54 46.147 45.365 0.782 1
1 561 . 6 1 1 A 54 54 GLY N N 54 113.723 110.438 3.285 1
1 562 . 6 1 1 A 55 55 LYS H H 55 8.598 7.853 0.745 1
1 563 . 6 1 1 A 55 55 LYS HA H 55 4.074 4.595 -0.521 1
1 572 . 6 1 1 A 55 55 LYS C C 55 174.748 175.575 -0.827 1
1 573 . 6 1 1 A 55 55 LYS CA C 55 58.270 55.744 2.526 1
1 574 . 6 1 1 A 55 55 LYS CB C 55 33.778 34.423 -0.645 1
1 578 . 6 1 1 A 55 55 LYS N N 55 124.175 119.221 4.954 1
1 579 . 6 1 1 A 56 56 THR H H 56 7.708 8.528 -0.820 1
1 580 . 6 1 1 A 56 56 THR HA H 56 5.028 5.445 -0.417 1
1 585 . 6 1 1 A 56 56 THR C C 56 173.673 173.296 0.377 1
1 586 . 6 1 1 A 56 56 THR CA C 56 60.779 59.583 1.196 1
1 587 . 6 1 1 A 56 56 THR CB C 56 70.823 71.464 -0.641 1
1 589 . 6 1 1 A 56 56 THR N N 56 113.091 111.834 1.257 1
1 590 . 6 1 1 A 57 57 PHE H H 57 8.944 8.890 0.054 1
1 591 . 6 1 1 A 57 57 PHE HA H 57 4.850 5.071 -0.221 1
1 599 . 6 1 1 A 57 57 PHE C C 57 175.764 175.621 0.143 1
1 600 . 6 1 1 A 57 57 PHE CA C 57 56.949 56.164 0.785 1
1 601 . 6 1 1 A 57 57 PHE CB C 57 43.729 44.000 -0.271 1
1 607 . 6 1 1 A 57 57 PHE N N 57 119.958 119.334 0.624 1
1 608 . 6 1 1 A 58 58 THR HA H 58 4.629 4.720 -0.091 1
1 613 . 6 1 1 A 58 58 THR CA C 58 62.738 63.100 -0.362 1
1 614 . 6 1 1 A 58 58 THR CB C 58 69.810 71.875 -2.065 1
1 616 . 6 1 1 A 59 59 ARG H H 59 7.422 7.876 -0.454 1
1 617 . 6 1 1 A 59 59 ARG HA H 59 4.740 4.535 0.205 1
1 624 . 6 1 1 A 59 59 ARG CA C 59 54.724 54.607 0.117 1
1 625 . 6 1 1 A 59 59 ARG CB C 59 33.659 32.570 1.089 1
1 628 . 6 1 1 A 59 59 ARG N N 59 118.359 121.252 -2.893 1
1 629 . 6 1 1 A 60 60 ARG HA H 60 2.949 3.157 -0.208 1
1 636 . 6 1 1 A 60 60 ARG CA C 60 59.468 59.375 0.093 1
1 637 . 6 1 1 A 60 60 ARG CB C 60 29.732 29.712 0.020 1
1 640 . 6 1 1 A 61 61 ASN HA H 61 4.332 4.325 0.007 1
1 645 . 6 1 1 A 61 61 ASN C C 61 177.497 177.798 -0.301 1
1 646 . 6 1 1 A 61 61 ASN CA C 61 56.212 56.261 -0.049 1
1 647 . 6 1 1 A 61 61 ASN CB C 61 37.142 38.649 -1.507 1
1 649 . 6 1 1 A 62 62 THR H H 62 7.076 8.119 -1.043 1
1 650 . 6 1 1 A 62 62 THR HA H 62 3.893 3.760 0.133 1
1 655 . 6 1 1 A 62 62 THR C C 62 176.684 175.942 0.742 1
1 656 . 6 1 1 A 62 62 THR CA C 62 65.025 67.030 -2.005 1
1 657 . 6 1 1 A 62 62 THR CB C 62 68.112 68.296 -0.184 1
1 659 . 6 1 1 A 62 62 THR N N 62 115.050 114.161 0.889 1
1 660 . 6 1 1 A 63 63 MET H H 63 7.149 8.034 -0.885 1
1 661 . 6 1 1 A 63 63 MET HA H 63 2.545 2.881 -0.336 1
1 669 . 6 1 1 A 63 63 MET C C 63 176.978 177.606 -0.628 1
1 670 . 6 1 1 A 63 63 MET CA C 63 58.791 58.017 0.774 1
1 671 . 6 1 1 A 63 63 MET CB C 63 31.556 32.014 -0.458 1
1 674 . 6 1 1 A 63 63 MET N N 63 122.700 119.710 2.990 1
1 675 . 6 1 1 A 64 64 ALA H H 64 8.383 8.429 -0.046 1
1 676 . 6 1 1 A 64 64 ALA HA H 64 3.944 3.954 -0.010 1
1 680 . 6 1 1 A 64 64 ALA C C 64 179.879 180.050 -0.171 1
1 681 . 6 1 1 A 64 64 ALA CA C 64 55.324 55.450 -0.126 1
1 682 . 6 1 1 A 64 64 ALA CB C 64 18.033 18.415 -0.382 1
1 683 . 6 1 1 A 64 64 ALA N N 64 122.001 120.904 1.097 1
1 684 . 6 1 1 A 65 65 ARG H H 65 7.574 8.469 -0.895 1
1 685 . 6 1 1 A 65 65 ARG HA H 65 4.139 3.992 0.147 1
1 692 . 6 1 1 A 65 65 ARG C C 65 178.946 179.073 -0.127 1
1 693 . 6 1 1 A 65 65 ARG CA C 65 58.182 59.486 -1.304 1
1 694 . 6 1 1 A 65 65 ARG CB C 65 30.153 29.634 0.519 1
1 697 . 6 1 1 A 65 65 ARG N N 65 116.551 117.486 -0.935 1
1 698 . 6 1 1 A 66 66 HIS H H 66 7.455 8.194 -0.739 1
1 699 . 6 1 1 A 66 66 HIS HA H 66 4.271 4.316 -0.045 1
1 704 . 6 1 1 A 66 66 HIS C C 66 177.633 177.187 0.446 1
1 705 . 6 1 1 A 66 66 HIS CA C 66 59.046 59.757 -0.711 1
1 706 . 6 1 1 A 66 66 HIS CB C 66 27.820 29.239 -1.419 1
1 709 . 6 1 1 A 66 66 HIS N N 66 118.483 119.938 -1.455 1
1 710 . 6 1 1 A 67 67 ALA H H 67 8.869 8.070 0.799 1
1 711 . 6 1 1 A 67 67 ALA HA H 67 3.968 3.688 0.280 1
1 715 . 6 1 1 A 67 67 ALA C C 67 179.374 178.534 0.840 1
1 716 . 6 1 1 A 67 67 ALA CA C 67 55.186 55.094 0.092 1
1 717 . 6 1 1 A 67 67 ALA CB C 67 18.851 18.174 0.677 1
1 718 . 6 1 1 A 67 67 ALA N N 67 122.114 120.873 1.241 1
1 719 . 6 1 1 A 68 68 ASP H H 68 7.476 8.051 -0.575 1
1 720 . 6 1 1 A 68 68 ASP HA H 68 4.401 4.211 0.190 1
1 723 . 6 1 1 A 68 68 ASP C C 68 176.580 178.105 -1.525 1
1 724 . 6 1 1 A 68 68 ASP CA C 68 56.772 57.599 -0.827 1
1 725 . 6 1 1 A 68 68 ASP CB C 68 40.945 41.351 -0.406 1
1 726 . 6 1 1 A 68 68 ASP N N 68 116.466 118.050 -1.584 1
1 727 . 6 1 1 A 69 69 ASN H H 69 7.227 7.388 -0.161 1
1 728 . 6 1 1 A 69 69 ASN HA H 69 4.905 4.645 0.260 1
1 733 . 6 1 1 A 69 69 ASN C C 69 173.603 175.444 -1.841 1
1 734 . 6 1 1 A 69 69 ASN CA C 69 52.518 54.682 -2.164 1
1 735 . 6 1 1 A 69 69 ASN CB C 69 40.657 38.719 1.938 1
1 736 . 6 1 1 A 69 69 ASN N N 69 114.158 115.589 -1.431 1
1 738 . 6 1 1 A 70 70 CYS H H 70 7.201 7.378 -0.177 1
1 739 . 6 1 1 A 70 70 CYS HA H 70 3.902 4.267 -0.365 1
1 742 . 6 1 1 A 70 70 CYS C C 70 175.424 174.142 1.282 1
1 743 . 6 1 1 A 70 70 CYS CA C 70 61.195 58.896 2.299 1
1 744 . 6 1 1 A 70 70 CYS CB C 70 29.288 28.672 0.616 1
1 745 . 6 1 1 A 70 70 CYS N N 70 124.154 118.420 5.734 1
1 746 . 6 1 1 A 71 71 ALA H H 71 8.783 8.810 -0.027 1
1 747 . 6 1 1 A 71 71 ALA HA H 71 4.562 4.507 0.055 1
1 751 . 6 1 1 A 71 71 ALA C C 71 177.513 176.861 0.652 1
1 752 . 6 1 1 A 71 71 ALA CA C 71 51.926 52.614 -0.688 1
1 753 . 6 1 1 A 71 71 ALA CB C 71 19.698 21.137 -1.439 1
1 754 . 6 1 1 A 71 71 ALA N N 71 131.493 125.297 6.196 1
1 755 . 6 1 1 A 72 72 GLY H H 72 8.645 7.303 1.342 1
1 756 . 6 1 1 A 72 72 GLY HA2 H 72 4.469 4.091 0.378 1
1 757 . 6 1 1 A 72 72 GLY HA3 H 72 3.628 4.101 -0.473 1
1 758 . 6 1 1 A 72 72 GLY C C 72 171.320 171.987 -0.667 1
1 759 . 6 1 1 A 72 72 GLY CA C 72 44.286 44.476 -0.190 1
1 760 . 6 1 1 A 72 72 GLY N N 72 110.083 102.809 7.274 1
1 761 . 6 1 1 A 73 73 PRO HA H 73 4.470 4.808 -0.338 1
1 768 . 6 1 1 A 73 73 PRO C C 73 176.905 175.600 1.305 1
1 769 . 6 1 1 A 73 73 PRO CA C 73 63.706 62.621 1.085 1
1 770 . 6 1 1 A 73 73 PRO CB C 73 32.344 30.727 1.617 1
1 773 . 6 1 1 A 74 74 ASP H H 74 8.506 8.324 0.182 1
1 774 . 6 1 1 A 74 74 ASP HA H 74 4.659 5.119 -0.460 1
1 777 . 6 1 1 A 74 74 ASP C C 74 176.869 175.930 0.939 1
1 778 . 6 1 1 A 74 74 ASP CA C 74 54.617 52.931 1.686 1
1 779 . 6 1 1 A 74 74 ASP CB C 74 41.335 43.959 -2.624 1
1 780 . 6 1 1 A 74 74 ASP N N 74 120.155 124.736 -4.581 1
1 781 . 6 1 1 A 75 75 GLY H H 75 8.257 8.455 -0.198 1
1 782 . 6 1 1 A 75 75 GLY HA2 H 75 4.072 3.959 0.113 1
1 783 . 6 1 1 A 75 75 GLY HA3 H 75 3.965 3.963 0.002 1
1 784 . 6 1 1 A 75 75 GLY C C 75 174.256 173.622 0.634 1
1 785 . 6 1 1 A 75 75 GLY CA C 75 45.653 45.977 -0.324 1
1 786 . 6 1 1 A 75 75 GLY N N 75 108.913 108.039 0.874 1
1 787 . 6 1 1 A 76 76 VAL H H 76 8.079 8.245 -0.166 1
1 788 . 6 1 1 A 76 76 VAL HA H 76 4.169 4.632 -0.463 1
1 796 . 6 1 1 A 76 76 VAL C C 76 176.347 175.277 1.070 1
1 797 . 6 1 1 A 76 76 VAL CA C 76 62.295 60.587 1.708 1
1 798 . 6 1 1 A 76 76 VAL CB C 76 32.871 33.169 -0.298 1
1 801 . 6 1 1 A 76 76 VAL N N 76 119.508 123.778 -4.270 1
1 802 . 6 1 1 A 77 77 GLU H H 77 8.619 8.572 0.047 1
1 803 . 6 1 1 A 77 77 GLU HA H 77 4.310 4.697 -0.387 1
1 808 . 6 1 1 A 77 77 GLU C C 77 177.046 178.092 -1.046 1
1 809 . 6 1 1 A 77 77 GLU CA C 77 56.966 55.999 0.967 1
1 810 . 6 1 1 A 77 77 GLU CB C 77 30.318 31.934 -1.616 1
1 812 . 6 1 1 A 77 77 GLU N N 77 125.001 125.431 -0.430 1
1 813 . 6 1 1 A 78 78 GLY H H 78 8.446 8.480 -0.034 1
1 814 . 6 1 1 A 78 78 GLY HA2 H 78 3.987 3.933 0.054 1
1 815 . 6 1 1 A 78 78 GLY HA3 H 78 3.987 3.935 0.052 1
1 816 . 6 1 1 A 78 78 GLY C C 78 174.238 173.149 1.089 1
1 817 . 6 1 1 A 78 78 GLY CA C 78 45.283 47.190 -1.907 1
1 818 . 6 1 1 A 78 78 GLY N N 78 110.357 109.879 0.478 1
1 819 . 6 1 1 A 79 79 GLU H H 79 8.313 8.261 0.052 1
1 820 . 6 1 1 A 79 79 GLU HA H 79 4.309 4.702 -0.393 1
1 825 . 6 1 1 A 79 79 GLU C C 79 176.509 175.931 0.578 1
1 826 . 6 1 1 A 79 79 GLU CA C 79 56.755 55.605 1.150 1
1 827 . 6 1 1 A 79 79 GLU CB C 79 30.317 32.790 -2.473 1
1 829 . 6 1 1 A 79 79 GLU N N 79 120.638 121.510 -0.872 1
1 830 . 6 1 1 A 80 80 ASN H H 80 8.588 8.797 -0.209 1
1 831 . 6 1 1 A 80 80 ASN HA H 80 4.801 4.867 -0.066 1
1 834 . 6 1 1 A 80 80 ASN C C 80 175.202 175.248 -0.046 1
1 835 . 6 1 1 A 80 80 ASN CA C 80 53.336 54.664 -1.328 1
1 836 . 6 1 1 A 80 80 ASN CB C 80 39.051 40.721 -1.670 1
1 837 . 6 1 1 A 80 80 ASN N N 80 119.808 126.038 -6.230 1
1 838 . 6 1 1 A 81 81 SER H H 81 8.322 7.781 0.541 1
1 839 . 6 1 1 A 81 81 SER HA H 81 4.517 4.139 0.378 1
1 842 . 6 1 1 A 81 81 SER C C 81 174.643 175.760 -1.117 1
1 843 . 6 1 1 A 81 81 SER CA C 81 58.499 59.847 -1.348 1
1 844 . 6 1 1 A 81 81 SER CB C 81 64.056 63.179 0.877 1
1 845 . 6 1 1 A 81 81 SER N N 81 116.318 114.795 1.523 1
1 846 . 6 1 1 A 82 82 GLY H H 82 8.303 8.925 -0.622 1
1 847 . 6 1 1 A 82 82 GLY HA2 H 82 4.170 4.064 0.106 1
1 848 . 6 1 1 A 82 82 GLY HA3 H 82 4.125 4.065 0.060 1
1 849 . 6 1 1 A 82 82 GLY C C 82 171.855 175.146 -3.291 1
1 850 . 6 1 1 A 82 82 GLY CA C 82 44.719 46.314 -1.595 1
1 851 . 6 1 1 A 82 82 GLY N N 82 110.706 115.222 -4.516 1
1 852 . 6 1 1 A 83 83 PRO HA H 83 4.498 4.411 0.087 1
1 859 . 6 1 1 A 83 83 PRO C C 83 177.459 178.061 -0.602 1
1 860 . 6 1 1 A 83 83 PRO CA C 83 63.274 64.149 -0.875 1
1 861 . 6 1 1 A 83 83 PRO CB C 83 32.254 32.108 0.146 1
1 864 . 6 1 1 A 84 84 SER H H 84 8.541 8.270 0.271 1
1 865 . 6 1 1 A 84 84 SER HA H 84 4.508 4.126 0.382 1
1 868 . 6 1 1 A 84 84 SER C C 84 174.744 175.595 -0.851 1
1 869 . 6 1 1 A 84 84 SER CA C 84 58.412 61.872 -3.460 1
1 870 . 6 1 1 A 84 84 SER CB C 84 64.056 62.721 1.335 1
1 871 . 6 1 1 A 84 84 SER N N 84 116.449 114.475 1.974 1
1 872 . 6 1 1 A 85 85 SER H H 85 8.353 7.845 0.508 1
1 873 . 6 1 1 A 85 85 SER HA H 85 4.517 4.131 0.386 1
1 876 . 6 1 1 A 85 85 SER C C 85 173.953 175.210 -1.257 1
1 877 . 6 1 1 A 85 85 SER CA C 85 58.492 60.021 -1.529 1
1 878 . 6 1 1 A 85 85 SER CB C 85 64.138 62.896 1.242 1
1 879 . 6 1 1 A 85 85 SER N N 85 117.940 115.569 2.371 1
1 1 . 7 1 1 A 8 8 ARG HA H 8 4.432 4.401 0.031 1
1 7 . 7 1 1 A 8 8 ARG CA C 8 56.069 55.995 0.074 1
1 8 . 7 1 1 A 8 8 ARG CB C 8 30.974 30.797 0.177 1
1 14 . 7 1 1 A 9 9 THR CB C 9 69.816 70.706 -0.890 1
1 16 . 7 1 1 A 10 10 HIS HA H 10 4.730 5.645 -0.915 1
1 21 . 7 1 1 A 10 10 HIS CA C 10 56.345 53.801 2.544 1
1 22 . 7 1 1 A 10 10 HIS CB C 10 31.058 31.517 -0.459 1
1 28 . 7 1 1 A 11 11 THR CB C 11 69.816 71.915 -2.099 1
1 30 . 7 1 1 A 12 12 GLY HA2 H 12 3.978 3.978 0.000 1
1 31 . 7 1 1 A 12 12 GLY HA3 H 12 3.978 3.985 -0.007 1
1 32 . 7 1 1 A 12 12 GLY CA C 12 45.442 44.998 0.444 1
1 33 . 7 1 1 A 13 13 GLU H H 13 8.243 8.309 -0.066 1
1 34 . 7 1 1 A 13 13 GLU HA H 13 4.235 5.169 -0.934 1
1 39 . 7 1 1 A 13 13 GLU CA C 13 56.898 54.529 2.369 1
1 40 . 7 1 1 A 13 13 GLU CB C 13 30.495 33.473 -2.978 1
1 42 . 7 1 1 A 13 13 GLU N N 13 120.364 118.087 2.277 1
1 43 . 7 1 1 A 14 14 LYS H H 14 8.276 8.638 -0.362 1
1 44 . 7 1 1 A 14 14 LYS HA H 14 4.528 5.048 -0.520 1
1 53 . 7 1 1 A 14 14 LYS CA C 14 54.009 52.841 1.168 1
1 54 . 7 1 1 A 14 14 LYS CB C 14 32.667 33.337 -0.670 1
1 58 . 7 1 1 A 14 14 LYS N N 14 121.981 121.053 0.928 1
1 59 . 7 1 1 A 15 15 PRO HA H 15 4.347 4.421 -0.074 1
1 66 . 7 1 1 A 15 15 PRO CA C 15 63.237 64.519 -1.282 1
1 67 . 7 1 1 A 15 15 PRO CB C 15 32.365 31.646 0.719 1
1 70 . 7 1 1 A 16 16 TYR H H 16 8.234 7.462 0.772 1
1 71 . 7 1 1 A 16 16 TYR HA H 16 4.508 4.802 -0.294 1
1 78 . 7 1 1 A 16 16 TYR C C 16 174.453 174.405 0.048 1
1 79 . 7 1 1 A 16 16 TYR CA C 16 58.076 56.916 1.160 1
1 80 . 7 1 1 A 16 16 TYR CB C 16 38.346 38.122 0.224 1
1 85 . 7 1 1 A 16 16 TYR N N 16 118.751 118.047 0.704 1
1 86 . 7 1 1 A 17 17 ALA H H 17 8.567 9.078 -0.511 1
1 87 . 7 1 1 A 17 17 ALA HA H 17 4.754 5.317 -0.563 1
1 91 . 7 1 1 A 17 17 ALA C C 17 176.249 176.588 -0.339 1
1 92 . 7 1 1 A 17 17 ALA CA C 17 51.274 50.436 0.838 1
1 93 . 7 1 1 A 17 17 ALA CB C 17 20.625 21.207 -0.582 1
1 94 . 7 1 1 A 17 17 ALA N N 17 127.897 127.957 -0.060 1
1 95 . 7 1 1 A 18 18 CYS H H 18 8.464 8.983 -0.519 1
1 96 . 7 1 1 A 18 18 CYS HA H 18 4.538 4.441 0.097 1
1 99 . 7 1 1 A 18 18 CYS C C 18 175.739 175.198 0.541 1
1 100 . 7 1 1 A 18 18 CYS CA C 18 60.966 60.276 0.690 1
1 101 . 7 1 1 A 18 18 CYS CB C 18 29.435 28.680 0.755 1
1 102 . 7 1 1 A 18 18 CYS N N 18 125.366 123.253 2.113 1
1 103 . 7 1 1 A 19 19 SER H H 19 8.439 9.308 -0.869 1
1 104 . 7 1 1 A 19 19 SER HA H 19 4.426 4.394 0.032 1
1 107 . 7 1 1 A 19 19 SER C C 19 175.890 176.685 -0.795 1
1 108 . 7 1 1 A 19 19 SER CA C 19 60.085 61.636 -1.551 1
1 109 . 7 1 1 A 19 19 SER CB C 19 64.097 63.327 0.770 1
1 110 . 7 1 1 A 19 19 SER N N 19 121.912 121.637 0.275 1
1 111 . 7 1 1 A 20 20 HIS H H 20 9.949 8.311 1.638 1
1 112 . 7 1 1 A 20 20 HIS HA H 20 4.579 4.368 0.211 1
1 117 . 7 1 1 A 20 20 HIS C C 20 174.670 175.571 -0.901 1
1 118 . 7 1 1 A 20 20 HIS CA C 20 57.354 58.664 -1.310 1
1 119 . 7 1 1 A 20 20 HIS CB C 20 30.787 29.441 1.346 1
1 122 . 7 1 1 A 20 20 HIS N N 20 126.154 119.142 7.012 1
1 123 . 7 1 1 A 21 21 CYS H H 21 7.972 7.987 -0.015 1
1 124 . 7 1 1 A 21 21 CYS HA H 21 4.947 4.915 0.032 1
1 127 . 7 1 1 A 21 21 CYS C C 21 172.879 173.164 -0.285 1
1 128 . 7 1 1 A 21 21 CYS CA C 21 58.891 56.800 2.091 1
1 129 . 7 1 1 A 21 21 CYS CB C 21 29.766 31.052 -1.286 1
1 130 . 7 1 1 A 21 21 CYS N N 21 119.638 114.566 5.072 1
1 131 . 7 1 1 A 22 22 ASP H H 22 8.167 8.691 -0.524 1
1 132 . 7 1 1 A 22 22 ASP HA H 22 4.668 4.823 -0.155 1
1 135 . 7 1 1 A 22 22 ASP C C 22 176.857 174.643 2.214 1
1 136 . 7 1 1 A 22 22 ASP CA C 22 54.587 53.068 1.519 1
1 137 . 7 1 1 A 22 22 ASP CB C 22 40.758 39.752 1.006 1
1 138 . 7 1 1 A 22 22 ASP N N 22 115.180 122.472 -7.292 1
1 139 . 7 1 1 A 23 23 LYS H H 23 8.407 7.657 0.750 1
1 140 . 7 1 1 A 23 23 LYS HA H 23 4.085 4.693 -0.608 1
1 148 . 7 1 1 A 23 23 LYS C C 23 175.732 175.940 -0.208 1
1 149 . 7 1 1 A 23 23 LYS CA C 23 57.537 54.588 2.949 1
1 150 . 7 1 1 A 23 23 LYS CB C 23 33.593 35.303 -1.710 1
1 154 . 7 1 1 A 23 23 LYS N N 23 122.302 121.942 0.360 1
1 155 . 7 1 1 A 24 24 THR H H 24 7.462 8.370 -0.908 1
1 156 . 7 1 1 A 24 24 THR HA H 24 5.018 5.476 -0.458 1
1 161 . 7 1 1 A 24 24 THR C C 24 173.047 173.224 -0.177 1
1 162 . 7 1 1 A 24 24 THR CA C 24 59.500 58.881 0.619 1
1 163 . 7 1 1 A 24 24 THR CB C 24 71.795 72.161 -0.366 1
1 165 . 7 1 1 A 24 24 THR N N 24 110.405 111.815 -1.410 1
1 166 . 7 1 1 A 25 25 PHE H H 25 8.750 9.052 -0.302 1
1 167 . 7 1 1 A 25 25 PHE HA H 25 4.886 4.893 -0.007 1
1 175 . 7 1 1 A 25 25 PHE C C 25 175.982 175.444 0.538 1
1 176 . 7 1 1 A 25 25 PHE CA C 25 57.301 56.162 1.139 1
1 177 . 7 1 1 A 25 25 PHE CB C 25 44.782 43.161 1.621 1
1 183 . 7 1 1 A 25 25 PHE N N 25 116.161 118.336 -2.175 1
1 184 . 7 1 1 A 26 26 ARG HA H 26 4.550 4.346 0.204 1
1 191 . 7 1 1 A 26 26 ARG C C 26 175.820 176.016 -0.196 1
1 192 . 7 1 1 A 26 26 ARG CA C 26 57.830 57.835 -0.005 1
1 193 . 7 1 1 A 26 26 ARG CB C 26 31.465 30.216 1.249 1
1 196 . 7 1 1 A 27 27 GLN H H 27 7.052 7.461 -0.409 1
1 197 . 7 1 1 A 27 27 GLN HA H 27 4.820 4.462 0.358 1
1 204 . 7 1 1 A 27 27 GLN C C 27 175.929 175.965 -0.036 1
1 205 . 7 1 1 A 27 27 GLN CA C 27 53.971 54.415 -0.444 1
1 206 . 7 1 1 A 27 27 GLN CB C 27 32.968 30.285 2.683 1
1 208 . 7 1 1 A 27 27 GLN N N 27 111.833 119.804 -7.971 1
1 210 . 7 1 1 A 28 28 LYS H H 28 8.616 7.938 0.678 1
1 211 . 7 1 1 A 28 28 LYS HA H 28 3.013 3.315 -0.302 1
1 220 . 7 1 1 A 28 28 LYS C C 28 177.891 178.156 -0.265 1
1 221 . 7 1 1 A 28 28 LYS CA C 28 59.351 58.690 0.661 1
1 222 . 7 1 1 A 28 28 LYS CB C 28 31.901 31.656 0.245 1
1 226 . 7 1 1 A 28 28 LYS N N 28 127.969 124.756 3.213 1
1 227 . 7 1 1 A 29 29 GLN H H 29 9.039 7.563 1.476 1
1 228 . 7 1 1 A 29 29 GLN HA H 29 4.110 3.944 0.166 1
1 235 . 7 1 1 A 29 29 GLN C C 29 178.275 178.365 -0.090 1
1 236 . 7 1 1 A 29 29 GLN CA C 29 59.073 58.713 0.360 1
1 237 . 7 1 1 A 29 29 GLN CB C 29 27.673 28.239 -0.566 1
1 239 . 7 1 1 A 29 29 GLN N N 29 116.426 118.944 -2.518 1
1 241 . 7 1 1 A 30 30 LEU H H 30 6.687 7.916 -1.229 1
1 242 . 7 1 1 A 30 30 LEU HA H 30 4.105 3.810 0.295 1
1 252 . 7 1 1 A 30 30 LEU C C 30 179.455 178.524 0.931 1
1 253 . 7 1 1 A 30 30 LEU CA C 30 56.878 57.575 -0.697 1
1 254 . 7 1 1 A 30 30 LEU CB C 30 41.552 42.039 -0.487 1
1 258 . 7 1 1 A 30 30 LEU N N 30 116.469 120.029 -3.560 1
1 259 . 7 1 1 A 31 31 LEU H H 31 6.875 7.385 -0.510 1
1 260 . 7 1 1 A 31 31 LEU HA H 31 3.174 2.598 0.576 1
1 270 . 7 1 1 A 31 31 LEU C C 31 177.599 177.913 -0.314 1
1 271 . 7 1 1 A 31 31 LEU CA C 31 57.829 57.208 0.621 1
1 272 . 7 1 1 A 31 31 LEU CB C 31 39.945 40.845 -0.900 1
1 276 . 7 1 1 A 31 31 LEU N N 31 122.863 119.106 3.757 1
1 277 . 7 1 1 A 32 32 ASP H H 32 8.429 7.940 0.489 1
1 278 . 7 1 1 A 32 32 ASP HA H 32 4.356 4.221 0.135 1
1 281 . 7 1 1 A 32 32 ASP C C 32 179.142 178.186 0.956 1
1 282 . 7 1 1 A 32 32 ASP CA C 32 57.830 57.160 0.670 1
1 283 . 7 1 1 A 32 32 ASP CB C 32 39.978 40.939 -0.961 1
1 284 . 7 1 1 A 32 32 ASP N N 32 120.350 119.135 1.215 1
1 285 . 7 1 1 A 33 33 MET H H 33 7.738 8.348 -0.610 1
1 286 . 7 1 1 A 33 33 MET HA H 33 4.167 3.765 0.402 1
1 294 . 7 1 1 A 33 33 MET C C 33 178.463 178.024 0.439 1
1 295 . 7 1 1 A 33 33 MET CA C 33 58.454 57.767 0.687 1
1 296 . 7 1 1 A 33 33 MET CB C 33 32.924 32.074 0.850 1
1 299 . 7 1 1 A 33 33 MET N N 33 118.109 118.871 -0.762 1
1 300 . 7 1 1 A 34 34 HIS H H 34 7.632 8.230 -0.598 1
1 301 . 7 1 1 A 34 34 HIS HA H 34 4.396 4.230 0.166 1
1 306 . 7 1 1 A 34 34 HIS C C 34 176.258 176.686 -0.428 1
1 307 . 7 1 1 A 34 34 HIS CA C 34 59.715 58.970 0.745 1
1 308 . 7 1 1 A 34 34 HIS CB C 34 28.594 29.954 -1.360 1
1 311 . 7 1 1 A 34 34 HIS N N 34 120.242 120.732 -0.490 1
1 312 . 7 1 1 A 35 35 PHE H H 35 9.373 7.735 1.638 1
1 313 . 7 1 1 A 35 35 PHE HA H 35 3.726 3.904 -0.178 1
1 321 . 7 1 1 A 35 35 PHE C C 35 178.043 177.378 0.665 1
1 322 . 7 1 1 A 35 35 PHE CA C 35 62.870 61.165 1.705 1
1 323 . 7 1 1 A 35 35 PHE CB C 35 39.846 39.263 0.583 1
1 329 . 7 1 1 A 35 35 PHE N N 35 121.691 120.110 1.581 1
1 330 . 7 1 1 A 36 36 LYS H H 36 7.861 7.946 -0.085 1
1 331 . 7 1 1 A 36 36 LYS HA H 36 4.139 4.420 -0.281 1
1 340 . 7 1 1 A 36 36 LYS C C 36 176.843 178.454 -1.611 1
1 341 . 7 1 1 A 36 36 LYS CA C 36 58.198 58.686 -0.488 1
1 342 . 7 1 1 A 36 36 LYS CB C 36 32.906 32.345 0.561 1
1 346 . 7 1 1 A 36 36 LYS N N 36 118.022 118.039 -0.017 1
1 347 . 7 1 1 A 37 37 ARG H H 37 7.298 7.860 -0.562 1
1 348 . 7 1 1 A 37 37 ARG HA H 37 3.717 4.400 -0.683 1
1 355 . 7 1 1 A 37 37 ARG C C 37 177.872 178.318 -0.446 1
1 356 . 7 1 1 A 37 37 ARG CA C 37 57.874 58.197 -0.323 1
1 357 . 7 1 1 A 37 37 ARG CB C 37 30.619 30.889 -0.270 1
1 360 . 7 1 1 A 37 37 ARG N N 37 114.740 120.415 -5.675 1
1 361 . 7 1 1 A 38 38 TYR H H 38 7.779 8.367 -0.588 1
1 362 . 7 1 1 A 38 38 TYR HA H 38 4.146 4.149 -0.003 1
1 369 . 7 1 1 A 38 38 TYR C C 38 176.160 178.500 -2.340 1
1 370 . 7 1 1 A 38 38 TYR CA C 38 59.941 60.155 -0.214 1
1 371 . 7 1 1 A 38 38 TYR CB C 38 38.516 38.034 0.482 1
1 376 . 7 1 1 A 38 38 TYR N N 38 112.257 118.815 -6.558 1
1 377 . 7 1 1 A 39 39 HIS H H 39 7.679 7.643 0.036 1
1 378 . 7 1 1 A 39 39 HIS HA H 39 4.943 4.373 0.570 1
1 383 . 7 1 1 A 39 39 HIS C C 39 173.845 175.265 -1.420 1
1 384 . 7 1 1 A 39 39 HIS CA C 39 54.045 58.425 -4.380 1
1 385 . 7 1 1 A 39 39 HIS CB C 39 29.490 29.038 0.452 1
1 388 . 7 1 1 A 39 39 HIS N N 39 114.679 116.867 -2.188 1
1 389 . 7 1 1 A 40 40 ASP H H 40 7.317 7.579 -0.262 1
1 390 . 7 1 1 A 40 40 ASP HA H 40 4.800 4.975 -0.175 1
1 393 . 7 1 1 A 40 40 ASP C C 40 175.035 174.991 0.044 1
1 394 . 7 1 1 A 40 40 ASP CA C 40 51.697 50.429 1.268 1
1 395 . 7 1 1 A 40 40 ASP CB C 40 42.630 43.537 -0.907 1
1 396 . 7 1 1 A 40 40 ASP N N 40 119.125 118.328 0.797 1
1 397 . 7 1 1 A 41 41 PRO HA H 41 4.552 4.387 0.165 1
1 404 . 7 1 1 A 41 41 PRO C C 41 177.331 178.151 -0.820 1
1 405 . 7 1 1 A 41 41 PRO CA C 41 64.019 64.035 -0.016 1
1 406 . 7 1 1 A 41 41 PRO CB C 41 32.235 31.921 0.314 1
1 409 . 7 1 1 A 42 42 ASN H H 42 8.484 8.793 -0.309 1
1 410 . 7 1 1 A 42 42 ASN HA H 42 4.703 4.521 0.182 1
1 415 . 7 1 1 A 42 42 ASN C C 42 174.879 176.656 -1.777 1
1 416 . 7 1 1 A 42 42 ASN CA C 42 53.371 56.532 -3.161 1
1 417 . 7 1 1 A 42 42 ASN CB C 42 39.009 38.241 0.768 1
1 418 . 7 1 1 A 42 42 ASN N N 42 116.107 117.357 -1.250 1
1 420 . 7 1 1 A 43 43 PHE H H 43 7.741 7.737 0.004 1
1 421 . 7 1 1 A 43 43 PHE HA H 43 4.448 4.411 0.037 1
1 429 . 7 1 1 A 43 43 PHE CA C 43 58.640 59.942 -1.302 1
1 430 . 7 1 1 A 43 43 PHE CB C 43 40.203 39.852 0.351 1
1 436 . 7 1 1 A 43 43 PHE N N 43 121.284 118.384 2.900 1
1 437 . 7 1 1 A 44 44 VAL H H 44 7.718 8.225 -0.507 1
1 438 . 7 1 1 A 44 44 VAL HA H 44 4.221 4.810 -0.589 1
1 446 . 7 1 1 A 44 44 VAL C C 44 173.190 173.289 -0.099 1
1 447 . 7 1 1 A 44 44 VAL CA C 44 59.177 58.307 0.870 1
1 448 . 7 1 1 A 44 44 VAL CB C 44 33.260 34.717 -1.457 1
1 451 . 7 1 1 A 44 44 VAL N N 44 126.832 126.754 0.078 1
1 452 . 7 1 1 A 45 45 PRO HA H 45 4.114 4.869 -0.755 1
1 459 . 7 1 1 A 45 45 PRO C C 45 176.031 176.843 -0.812 1
1 460 . 7 1 1 A 45 45 PRO CA C 45 62.732 62.452 0.280 1
1 461 . 7 1 1 A 45 45 PRO CB C 45 32.197 31.709 0.488 1
1 464 . 7 1 1 A 46 46 ALA H H 46 8.199 8.341 -0.142 1
1 465 . 7 1 1 A 46 46 ALA HA H 46 4.161 4.432 -0.271 1
1 469 . 7 1 1 A 46 46 ALA C C 46 176.631 176.540 0.091 1
1 470 . 7 1 1 A 46 46 ALA CA C 46 52.105 52.311 -0.206 1
1 471 . 7 1 1 A 46 46 ALA CB C 46 19.315 19.211 0.104 1
1 472 . 7 1 1 A 46 46 ALA N N 46 124.122 126.687 -2.565 1
1 473 . 7 1 1 A 47 47 ALA H H 47 7.755 8.676 -0.921 1
1 474 . 7 1 1 A 47 47 ALA HA H 47 4.218 4.911 -0.693 1
1 478 . 7 1 1 A 47 47 ALA C C 47 176.322 175.823 0.499 1
1 479 . 7 1 1 A 47 47 ALA CA C 47 52.140 50.412 1.728 1
1 480 . 7 1 1 A 47 47 ALA CB C 47 20.283 19.520 0.763 1
1 481 . 7 1 1 A 47 47 ALA N N 47 121.689 126.657 -4.968 1
1 482 . 7 1 1 A 48 48 PHE H H 48 8.323 8.650 -0.327 1
1 483 . 7 1 1 A 48 48 PHE HA H 48 4.782 5.098 -0.316 1
1 491 . 7 1 1 A 48 48 PHE C C 48 174.258 174.259 -0.001 1
1 492 . 7 1 1 A 48 48 PHE CA C 48 57.108 56.670 0.438 1
1 493 . 7 1 1 A 48 48 PHE CB C 48 40.615 40.659 -0.044 1
1 499 . 7 1 1 A 48 48 PHE N N 48 118.583 122.005 -3.422 1
1 500 . 7 1 1 A 49 49 VAL H H 49 8.584 9.035 -0.451 1
1 501 . 7 1 1 A 49 49 VAL HA H 49 4.829 5.406 -0.577 1
1 509 . 7 1 1 A 49 49 VAL C C 49 175.667 174.773 0.894 1
1 510 . 7 1 1 A 49 49 VAL CA C 49 60.508 59.960 0.548 1
1 511 . 7 1 1 A 49 49 VAL CB C 49 35.158 33.936 1.222 1
1 514 . 7 1 1 A 49 49 VAL N N 49 123.555 124.092 -0.537 1
1 515 . 7 1 1 A 50 50 CYS H H 50 9.170 9.353 -0.183 1
1 516 . 7 1 1 A 50 50 CYS HA H 50 4.593 4.558 0.035 1
1 519 . 7 1 1 A 50 50 CYS C C 50 177.661 175.715 1.946 1
1 520 . 7 1 1 A 50 50 CYS CA C 50 59.909 59.751 0.158 1
1 521 . 7 1 1 A 50 50 CYS CB C 50 30.835 28.930 1.905 1
1 522 . 7 1 1 A 50 50 CYS N N 50 128.866 126.477 2.389 1
1 523 . 7 1 1 A 51 51 SER H H 51 9.205 8.516 0.689 1
1 524 . 7 1 1 A 51 51 SER HA H 51 4.271 4.658 -0.387 1
1 527 . 7 1 1 A 51 51 SER C C 51 174.401 176.112 -1.711 1
1 528 . 7 1 1 A 51 51 SER CA C 51 60.890 58.538 2.352 1
1 529 . 7 1 1 A 51 51 SER CB C 51 63.231 64.622 -1.391 1
1 530 . 7 1 1 A 51 51 SER N N 51 128.162 118.371 9.791 1
1 531 . 7 1 1 A 52 52 LYS H H 52 9.118 7.634 1.484 1
1 532 . 7 1 1 A 52 52 LYS HA H 52 4.421 4.135 0.286 1
1 541 . 7 1 1 A 52 52 LYS C C 52 177.831 177.992 -0.161 1
1 542 . 7 1 1 A 52 52 LYS CA C 52 58.535 58.747 -0.212 1
1 543 . 7 1 1 A 52 52 LYS CB C 52 34.152 32.949 1.203 1
1 547 . 7 1 1 A 52 52 LYS N N 52 123.970 121.384 2.586 1
1 548 . 7 1 1 A 53 53 CYS H H 53 8.241 8.107 0.134 1
1 549 . 7 1 1 A 53 53 CYS HA H 53 4.999 4.617 0.382 1
1 552 . 7 1 1 A 53 53 CYS C C 53 176.529 175.393 1.136 1
1 553 . 7 1 1 A 53 53 CYS CA C 53 58.587 59.645 -1.058 1
1 554 . 7 1 1 A 53 53 CYS CB C 53 33.353 29.552 3.801 1
1 555 . 7 1 1 A 53 53 CYS N N 53 115.684 114.598 1.086 1
1 556 . 7 1 1 A 54 54 GLY H H 54 8.290 8.227 0.063 1
1 557 . 7 1 1 A 54 54 GLY HA2 H 54 4.226 4.093 0.133 1
1 558 . 7 1 1 A 54 54 GLY HA3 H 54 3.733 4.117 -0.384 1
1 559 . 7 1 1 A 54 54 GLY C C 54 173.761 174.425 -0.664 1
1 560 . 7 1 1 A 54 54 GLY CA C 54 46.147 45.246 0.901 1
1 561 . 7 1 1 A 54 54 GLY N N 54 113.723 110.468 3.255 1
1 562 . 7 1 1 A 55 55 LYS H H 55 8.598 7.358 1.240 1
1 563 . 7 1 1 A 55 55 LYS HA H 55 4.074 4.320 -0.246 1
1 572 . 7 1 1 A 55 55 LYS C C 55 174.748 176.700 -1.952 1
1 573 . 7 1 1 A 55 55 LYS CA C 55 58.270 56.164 2.106 1
1 574 . 7 1 1 A 55 55 LYS CB C 55 33.778 33.222 0.556 1
1 578 . 7 1 1 A 55 55 LYS N N 55 124.175 120.262 3.913 1
1 579 . 7 1 1 A 56 56 THR H H 56 7.708 8.498 -0.790 1
1 580 . 7 1 1 A 56 56 THR HA H 56 5.028 4.924 0.104 1
1 585 . 7 1 1 A 56 56 THR C C 56 173.673 174.167 -0.494 1
1 586 . 7 1 1 A 56 56 THR CA C 56 60.779 61.579 -0.800 1
1 587 . 7 1 1 A 56 56 THR CB C 56 70.823 69.956 0.867 1
1 589 . 7 1 1 A 56 56 THR N N 56 113.091 115.454 -2.363 1
1 590 . 7 1 1 A 57 57 PHE H H 57 8.944 8.960 -0.016 1
1 591 . 7 1 1 A 57 57 PHE HA H 57 4.850 4.947 -0.097 1
1 599 . 7 1 1 A 57 57 PHE C C 57 175.764 175.799 -0.035 1
1 600 . 7 1 1 A 57 57 PHE CA C 57 56.949 56.376 0.573 1
1 601 . 7 1 1 A 57 57 PHE CB C 57 43.729 43.241 0.488 1
1 607 . 7 1 1 A 57 57 PHE N N 57 119.958 120.642 -0.684 1
1 608 . 7 1 1 A 58 58 THR HA H 58 4.629 4.505 0.124 1
1 613 . 7 1 1 A 58 58 THR CA C 58 62.738 63.815 -1.077 1
1 614 . 7 1 1 A 58 58 THR CB C 58 69.810 69.576 0.234 1
1 616 . 7 1 1 A 59 59 ARG H H 59 7.422 7.856 -0.434 1
1 617 . 7 1 1 A 59 59 ARG HA H 59 4.740 4.694 0.046 1
1 624 . 7 1 1 A 59 59 ARG CA C 59 54.724 54.520 0.204 1
1 625 . 7 1 1 A 59 59 ARG CB C 59 33.659 32.724 0.935 1
1 628 . 7 1 1 A 59 59 ARG N N 59 118.359 119.921 -1.562 1
1 629 . 7 1 1 A 60 60 ARG HA H 60 2.949 3.003 -0.054 1
1 636 . 7 1 1 A 60 60 ARG CA C 60 59.468 58.969 0.499 1
1 637 . 7 1 1 A 60 60 ARG CB C 60 29.732 29.257 0.475 1
1 640 . 7 1 1 A 61 61 ASN HA H 61 4.332 4.251 0.081 1
1 645 . 7 1 1 A 61 61 ASN C C 61 177.497 177.815 -0.318 1
1 646 . 7 1 1 A 61 61 ASN CA C 61 56.212 56.148 0.064 1
1 647 . 7 1 1 A 61 61 ASN CB C 61 37.142 38.195 -1.053 1
1 649 . 7 1 1 A 62 62 THR H H 62 7.076 8.127 -1.051 1
1 650 . 7 1 1 A 62 62 THR HA H 62 3.893 3.814 0.079 1
1 655 . 7 1 1 A 62 62 THR C C 62 176.684 175.998 0.686 1
1 656 . 7 1 1 A 62 62 THR CA C 62 65.025 67.065 -2.040 1
1 657 . 7 1 1 A 62 62 THR CB C 62 68.112 68.318 -0.206 1
1 659 . 7 1 1 A 62 62 THR N N 62 115.050 113.788 1.262 1
1 660 . 7 1 1 A 63 63 MET H H 63 7.149 7.762 -0.613 1
1 661 . 7 1 1 A 63 63 MET HA H 63 2.545 3.364 -0.819 1
1 669 . 7 1 1 A 63 63 MET C C 63 176.978 177.669 -0.691 1
1 670 . 7 1 1 A 63 63 MET CA C 63 58.791 57.766 1.025 1
1 671 . 7 1 1 A 63 63 MET CB C 63 31.556 31.846 -0.290 1
1 674 . 7 1 1 A 63 63 MET N N 63 122.700 119.895 2.805 1
1 675 . 7 1 1 A 64 64 ALA H H 64 8.383 8.515 -0.132 1
1 676 . 7 1 1 A 64 64 ALA HA H 64 3.944 3.971 -0.027 1
1 680 . 7 1 1 A 64 64 ALA C C 64 179.879 179.951 -0.072 1
1 681 . 7 1 1 A 64 64 ALA CA C 64 55.324 55.445 -0.121 1
1 682 . 7 1 1 A 64 64 ALA CB C 64 18.033 18.463 -0.430 1
1 683 . 7 1 1 A 64 64 ALA N N 64 122.001 121.290 0.711 1
1 684 . 7 1 1 A 65 65 ARG H H 65 7.574 8.054 -0.480 1
1 685 . 7 1 1 A 65 65 ARG HA H 65 4.139 3.970 0.169 1
1 692 . 7 1 1 A 65 65 ARG C C 65 178.946 178.716 0.230 1
1 693 . 7 1 1 A 65 65 ARG CA C 65 58.182 59.328 -1.146 1
1 694 . 7 1 1 A 65 65 ARG CB C 65 30.153 29.771 0.382 1
1 697 . 7 1 1 A 65 65 ARG N N 65 116.551 117.596 -1.045 1
1 698 . 7 1 1 A 66 66 HIS H H 66 7.455 7.961 -0.506 1
1 699 . 7 1 1 A 66 66 HIS HA H 66 4.271 4.284 -0.013 1
1 704 . 7 1 1 A 66 66 HIS C C 66 177.633 176.654 0.979 1
1 705 . 7 1 1 A 66 66 HIS CA C 66 59.046 59.670 -0.624 1
1 706 . 7 1 1 A 66 66 HIS CB C 66 27.820 29.442 -1.622 1
1 709 . 7 1 1 A 66 66 HIS N N 66 118.483 119.747 -1.264 1
1 710 . 7 1 1 A 67 67 ALA H H 67 8.869 8.011 0.858 1
1 711 . 7 1 1 A 67 67 ALA HA H 67 3.968 3.672 0.296 1
1 715 . 7 1 1 A 67 67 ALA C C 67 179.374 178.721 0.653 1
1 716 . 7 1 1 A 67 67 ALA CA C 67 55.186 55.014 0.172 1
1 717 . 7 1 1 A 67 67 ALA CB C 67 18.851 18.391 0.460 1
1 718 . 7 1 1 A 67 67 ALA N N 67 122.114 120.557 1.557 1
1 719 . 7 1 1 A 68 68 ASP H H 68 7.476 7.860 -0.384 1
1 720 . 7 1 1 A 68 68 ASP HA H 68 4.401 4.261 0.140 1
1 723 . 7 1 1 A 68 68 ASP C C 68 176.580 178.185 -1.605 1
1 724 . 7 1 1 A 68 68 ASP CA C 68 56.772 57.658 -0.886 1
1 725 . 7 1 1 A 68 68 ASP CB C 68 40.945 40.768 0.177 1
1 726 . 7 1 1 A 68 68 ASP N N 68 116.466 118.513 -2.047 1
1 727 . 7 1 1 A 69 69 ASN H H 69 7.227 7.853 -0.626 1
1 728 . 7 1 1 A 69 69 ASN HA H 69 4.905 4.582 0.323 1
1 733 . 7 1 1 A 69 69 ASN C C 69 173.603 175.391 -1.788 1
1 734 . 7 1 1 A 69 69 ASN CA C 69 52.518 55.230 -2.712 1
1 735 . 7 1 1 A 69 69 ASN CB C 69 40.657 38.354 2.303 1
1 736 . 7 1 1 A 69 69 ASN N N 69 114.158 115.698 -1.540 1
1 738 . 7 1 1 A 70 70 CYS H H 70 7.201 7.779 -0.578 1
1 739 . 7 1 1 A 70 70 CYS HA H 70 3.902 4.349 -0.447 1
1 742 . 7 1 1 A 70 70 CYS C C 70 175.424 174.121 1.303 1
1 743 . 7 1 1 A 70 70 CYS CA C 70 61.195 58.904 2.291 1
1 744 . 7 1 1 A 70 70 CYS CB C 70 29.288 28.727 0.561 1
1 745 . 7 1 1 A 70 70 CYS N N 70 124.154 118.291 5.863 1
1 746 . 7 1 1 A 71 71 ALA H H 71 8.783 8.781 0.002 1
1 747 . 7 1 1 A 71 71 ALA HA H 71 4.562 4.543 0.019 1
1 751 . 7 1 1 A 71 71 ALA C C 71 177.513 176.867 0.646 1
1 752 . 7 1 1 A 71 71 ALA CA C 71 51.926 52.219 -0.293 1
1 753 . 7 1 1 A 71 71 ALA CB C 71 19.698 21.331 -1.633 1
1 754 . 7 1 1 A 71 71 ALA N N 71 131.493 124.744 6.749 1
1 755 . 7 1 1 A 72 72 GLY H H 72 8.645 7.272 1.373 1
1 756 . 7 1 1 A 72 72 GLY HA2 H 72 4.469 4.084 0.385 1
1 757 . 7 1 1 A 72 72 GLY HA3 H 72 3.628 4.093 -0.465 1
1 758 . 7 1 1 A 72 72 GLY C C 72 171.320 171.365 -0.045 1
1 759 . 7 1 1 A 72 72 GLY CA C 72 44.286 44.552 -0.266 1
1 760 . 7 1 1 A 72 72 GLY N N 72 110.083 102.998 7.085 1
1 761 . 7 1 1 A 73 73 PRO HA H 73 4.470 4.362 0.108 1
1 768 . 7 1 1 A 73 73 PRO C C 73 176.905 176.594 0.311 1
1 769 . 7 1 1 A 73 73 PRO CA C 73 63.706 63.435 0.271 1
1 770 . 7 1 1 A 73 73 PRO CB C 73 32.344 32.091 0.253 1
1 773 . 7 1 1 A 74 74 ASP H H 74 8.506 8.844 -0.338 1
1 774 . 7 1 1 A 74 74 ASP HA H 74 4.659 4.144 0.515 1
1 777 . 7 1 1 A 74 74 ASP C C 74 176.869 175.438 1.431 1
1 778 . 7 1 1 A 74 74 ASP CA C 74 54.617 55.251 -0.634 1
1 779 . 7 1 1 A 74 74 ASP CB C 74 41.335 39.679 1.656 1
1 780 . 7 1 1 A 74 74 ASP N N 74 120.155 117.197 2.958 1
1 781 . 7 1 1 A 75 75 GLY H H 75 8.257 7.946 0.311 1
1 782 . 7 1 1 A 75 75 GLY HA2 H 75 4.072 4.151 -0.079 1
1 783 . 7 1 1 A 75 75 GLY HA3 H 75 3.965 4.151 -0.186 1
1 784 . 7 1 1 A 75 75 GLY C C 75 174.256 172.679 1.577 1
1 785 . 7 1 1 A 75 75 GLY CA C 75 45.653 45.650 0.003 1
1 786 . 7 1 1 A 75 75 GLY N N 75 108.913 106.167 2.746 1
1 787 . 7 1 1 A 76 76 VAL H H 76 8.079 8.906 -0.827 1
1 788 . 7 1 1 A 76 76 VAL HA H 76 4.169 4.672 -0.503 1
1 796 . 7 1 1 A 76 76 VAL C C 76 176.347 175.266 1.081 1
1 797 . 7 1 1 A 76 76 VAL CA C 76 62.295 62.093 0.202 1
1 798 . 7 1 1 A 76 76 VAL CB C 76 32.871 32.837 0.034 1
1 801 . 7 1 1 A 76 76 VAL N N 76 119.508 125.471 -5.963 1
1 802 . 7 1 1 A 77 77 GLU H H 77 8.619 9.016 -0.397 1
1 803 . 7 1 1 A 77 77 GLU HA H 77 4.310 5.246 -0.936 1
1 808 . 7 1 1 A 77 77 GLU C C 77 177.046 175.128 1.918 1
1 809 . 7 1 1 A 77 77 GLU CA C 77 56.966 54.778 2.188 1
1 810 . 7 1 1 A 77 77 GLU CB C 77 30.318 33.107 -2.789 1
1 812 . 7 1 1 A 77 77 GLU N N 77 125.001 123.846 1.155 1
1 813 . 7 1 1 A 78 78 GLY H H 78 8.446 8.469 -0.023 1
1 814 . 7 1 1 A 78 78 GLY HA2 H 78 3.987 4.138 -0.151 1
1 815 . 7 1 1 A 78 78 GLY HA3 H 78 3.987 4.139 -0.152 1
1 816 . 7 1 1 A 78 78 GLY C C 78 174.238 172.513 1.725 1
1 817 . 7 1 1 A 78 78 GLY CA C 78 45.283 45.003 0.280 1
1 818 . 7 1 1 A 78 78 GLY N N 78 110.357 108.135 2.222 1
1 819 . 7 1 1 A 79 79 GLU H H 79 8.313 8.740 -0.427 1
1 820 . 7 1 1 A 79 79 GLU HA H 79 4.309 4.785 -0.476 1
1 825 . 7 1 1 A 79 79 GLU C C 79 176.509 176.256 0.253 1
1 826 . 7 1 1 A 79 79 GLU CA C 79 56.755 54.535 2.220 1
1 827 . 7 1 1 A 79 79 GLU CB C 79 30.317 32.908 -2.591 1
1 829 . 7 1 1 A 79 79 GLU N N 79 120.638 121.583 -0.945 1
1 830 . 7 1 1 A 80 80 ASN H H 80 8.588 9.114 -0.526 1
1 831 . 7 1 1 A 80 80 ASN HA H 80 4.801 4.363 0.438 1
1 834 . 7 1 1 A 80 80 ASN C C 80 175.202 175.182 0.020 1
1 835 . 7 1 1 A 80 80 ASN CA C 80 53.336 53.898 -0.562 1
1 836 . 7 1 1 A 80 80 ASN CB C 80 39.051 37.146 1.905 1
1 837 . 7 1 1 A 80 80 ASN N N 80 119.808 120.929 -1.121 1
1 838 . 7 1 1 A 81 81 SER H H 81 8.322 7.834 0.488 1
1 839 . 7 1 1 A 81 81 SER HA H 81 4.517 4.375 0.142 1
1 842 . 7 1 1 A 81 81 SER C C 81 174.643 174.289 0.354 1
1 843 . 7 1 1 A 81 81 SER CA C 81 58.499 59.160 -0.661 1
1 844 . 7 1 1 A 81 81 SER CB C 81 64.056 63.580 0.476 1
1 845 . 7 1 1 A 81 81 SER N N 81 116.318 113.436 2.882 1
1 846 . 7 1 1 A 82 82 GLY H H 82 8.303 8.411 -0.108 1
1 847 . 7 1 1 A 82 82 GLY HA2 H 82 4.170 4.261 -0.091 1
1 848 . 7 1 1 A 82 82 GLY HA3 H 82 4.125 4.262 -0.137 1
1 849 . 7 1 1 A 82 82 GLY C C 82 171.855 174.071 -2.216 1
1 850 . 7 1 1 A 82 82 GLY CA C 82 44.719 45.003 -0.284 1
1 851 . 7 1 1 A 82 82 GLY N N 82 110.706 109.840 0.866 1
1 852 . 7 1 1 A 83 83 PRO HA H 83 4.498 4.540 -0.042 1
1 859 . 7 1 1 A 83 83 PRO C C 83 177.459 175.543 1.916 1
1 860 . 7 1 1 A 83 83 PRO CA C 83 63.274 64.010 -0.736 1
1 861 . 7 1 1 A 83 83 PRO CB C 83 32.254 31.672 0.582 1
1 864 . 7 1 1 A 84 84 SER H H 84 8.541 7.653 0.888 1
1 865 . 7 1 1 A 84 84 SER HA H 84 4.508 4.959 -0.451 1
1 868 . 7 1 1 A 84 84 SER C C 84 174.744 173.119 1.625 1
1 869 . 7 1 1 A 84 84 SER CA C 84 58.412 56.602 1.810 1
1 870 . 7 1 1 A 84 84 SER CB C 84 64.056 65.885 -1.829 1
1 871 . 7 1 1 A 84 84 SER N N 84 116.449 111.188 5.261 1
1 872 . 7 1 1 A 85 85 SER H H 85 8.353 8.564 -0.211 1
1 873 . 7 1 1 A 85 85 SER HA H 85 4.517 4.734 -0.217 1
1 876 . 7 1 1 A 85 85 SER C C 85 173.953 173.807 0.146 1
1 877 . 7 1 1 A 85 85 SER CA C 85 58.492 58.067 0.425 1
1 878 . 7 1 1 A 85 85 SER CB C 85 64.138 65.771 -1.633 1
1 879 . 7 1 1 A 85 85 SER N N 85 117.940 115.116 2.824 1
1 1 . 8 1 1 A 8 8 ARG HA H 8 4.432 5.091 -0.659 1
1 7 . 8 1 1 A 8 8 ARG CA C 8 56.069 54.102 1.967 1
1 8 . 8 1 1 A 8 8 ARG CB C 8 30.974 33.786 -2.812 1
1 14 . 8 1 1 A 9 9 THR CB C 9 69.816 70.363 -0.547 1
1 16 . 8 1 1 A 10 10 HIS HA H 10 4.730 4.502 0.228 1
1 21 . 8 1 1 A 10 10 HIS CA C 10 56.345 56.130 0.215 1
1 22 . 8 1 1 A 10 10 HIS CB C 10 31.058 30.323 0.735 1
1 28 . 8 1 1 A 11 11 THR CB C 11 69.816 68.852 0.964 1
1 30 . 8 1 1 A 12 12 GLY HA2 H 12 3.978 4.062 -0.084 1
1 31 . 8 1 1 A 12 12 GLY HA3 H 12 3.978 4.143 -0.165 1
1 32 . 8 1 1 A 12 12 GLY CA C 12 45.442 45.795 -0.353 1
1 33 . 8 1 1 A 13 13 GLU H H 13 8.243 7.998 0.245 1
1 34 . 8 1 1 A 13 13 GLU HA H 13 4.235 4.682 -0.447 1
1 39 . 8 1 1 A 13 13 GLU CA C 13 56.898 55.041 1.857 1
1 40 . 8 1 1 A 13 13 GLU CB C 13 30.495 33.175 -2.680 1
1 42 . 8 1 1 A 13 13 GLU N N 13 120.364 118.695 1.669 1
1 43 . 8 1 1 A 14 14 LYS H H 14 8.276 8.467 -0.191 1
1 44 . 8 1 1 A 14 14 LYS HA H 14 4.528 4.300 0.228 1
1 53 . 8 1 1 A 14 14 LYS CA C 14 54.009 55.409 -1.400 1
1 54 . 8 1 1 A 14 14 LYS CB C 14 32.667 32.009 0.658 1
1 58 . 8 1 1 A 14 14 LYS N N 14 121.981 122.618 -0.637 1
1 59 . 8 1 1 A 15 15 PRO HA H 15 4.347 4.393 -0.046 1
1 66 . 8 1 1 A 15 15 PRO CA C 15 63.237 64.995 -1.758 1
1 67 . 8 1 1 A 15 15 PRO CB C 15 32.365 31.817 0.548 1
1 70 . 8 1 1 A 16 16 TYR H H 16 8.234 7.508 0.726 1
1 71 . 8 1 1 A 16 16 TYR HA H 16 4.508 4.693 -0.185 1
1 78 . 8 1 1 A 16 16 TYR C C 16 174.453 175.206 -0.753 1
1 79 . 8 1 1 A 16 16 TYR CA C 16 58.076 57.771 0.305 1
1 80 . 8 1 1 A 16 16 TYR CB C 16 38.346 38.093 0.253 1
1 85 . 8 1 1 A 16 16 TYR N N 16 118.751 117.946 0.805 1
1 86 . 8 1 1 A 17 17 ALA H H 17 8.567 9.024 -0.457 1
1 87 . 8 1 1 A 17 17 ALA HA H 17 4.754 5.291 -0.537 1
1 91 . 8 1 1 A 17 17 ALA C C 17 176.249 176.969 -0.720 1
1 92 . 8 1 1 A 17 17 ALA CA C 17 51.274 50.596 0.678 1
1 93 . 8 1 1 A 17 17 ALA CB C 17 20.625 21.007 -0.382 1
1 94 . 8 1 1 A 17 17 ALA N N 17 127.897 127.889 0.008 1
1 95 . 8 1 1 A 18 18 CYS H H 18 8.464 8.840 -0.376 1
1 96 . 8 1 1 A 18 18 CYS HA H 18 4.538 4.466 0.072 1
1 99 . 8 1 1 A 18 18 CYS C C 18 175.739 175.433 0.306 1
1 100 . 8 1 1 A 18 18 CYS CA C 18 60.966 60.308 0.658 1
1 101 . 8 1 1 A 18 18 CYS CB C 18 29.435 28.711 0.724 1
1 102 . 8 1 1 A 18 18 CYS N N 18 125.366 123.287 2.079 1
1 103 . 8 1 1 A 19 19 SER H H 19 8.439 9.064 -0.625 1
1 104 . 8 1 1 A 19 19 SER HA H 19 4.426 4.500 -0.074 1
1 107 . 8 1 1 A 19 19 SER C C 19 175.890 176.940 -1.050 1
1 108 . 8 1 1 A 19 19 SER CA C 19 60.085 62.100 -2.015 1
1 109 . 8 1 1 A 19 19 SER CB C 19 64.097 63.608 0.489 1
1 110 . 8 1 1 A 19 19 SER N N 19 121.912 122.350 -0.438 1
1 111 . 8 1 1 A 20 20 HIS H H 20 9.949 8.196 1.753 1
1 112 . 8 1 1 A 20 20 HIS HA H 20 4.579 4.392 0.187 1
1 117 . 8 1 1 A 20 20 HIS C C 20 174.670 175.598 -0.928 1
1 118 . 8 1 1 A 20 20 HIS CA C 20 57.354 59.156 -1.802 1
1 119 . 8 1 1 A 20 20 HIS CB C 20 30.787 29.062 1.725 1
1 122 . 8 1 1 A 20 20 HIS N N 20 126.154 119.073 7.081 1
1 123 . 8 1 1 A 21 21 CYS H H 21 7.972 8.138 -0.166 1
1 124 . 8 1 1 A 21 21 CYS HA H 21 4.947 4.925 0.022 1
1 127 . 8 1 1 A 21 21 CYS C C 21 172.879 173.838 -0.959 1
1 128 . 8 1 1 A 21 21 CYS CA C 21 58.891 56.724 2.167 1
1 129 . 8 1 1 A 21 21 CYS CB C 21 29.766 30.669 -0.903 1
1 130 . 8 1 1 A 21 21 CYS N N 21 119.638 114.992 4.646 1
1 131 . 8 1 1 A 22 22 ASP H H 22 8.167 8.783 -0.616 1
1 132 . 8 1 1 A 22 22 ASP HA H 22 4.668 4.855 -0.187 1
1 135 . 8 1 1 A 22 22 ASP C C 22 176.857 175.105 1.752 1
1 136 . 8 1 1 A 22 22 ASP CA C 22 54.587 53.100 1.487 1
1 137 . 8 1 1 A 22 22 ASP CB C 22 40.758 40.525 0.233 1
1 138 . 8 1 1 A 22 22 ASP N N 22 115.180 121.594 -6.414 1
1 139 . 8 1 1 A 23 23 LYS H H 23 8.407 7.700 0.707 1
1 140 . 8 1 1 A 23 23 LYS HA H 23 4.085 4.751 -0.666 1
1 148 . 8 1 1 A 23 23 LYS C C 23 175.732 175.913 -0.181 1
1 149 . 8 1 1 A 23 23 LYS CA C 23 57.537 54.490 3.047 1
1 150 . 8 1 1 A 23 23 LYS CB C 23 33.593 34.176 -0.583 1
1 154 . 8 1 1 A 23 23 LYS N N 23 122.302 120.869 1.433 1
1 155 . 8 1 1 A 24 24 THR H H 24 7.462 8.438 -0.976 1
1 156 . 8 1 1 A 24 24 THR HA H 24 5.018 5.568 -0.550 1
1 161 . 8 1 1 A 24 24 THR C C 24 173.047 172.682 0.365 1
1 162 . 8 1 1 A 24 24 THR CA C 24 59.500 59.273 0.227 1
1 163 . 8 1 1 A 24 24 THR CB C 24 71.795 71.962 -0.167 1
1 165 . 8 1 1 A 24 24 THR N N 24 110.405 111.950 -1.545 1
1 166 . 8 1 1 A 25 25 PHE H H 25 8.750 8.998 -0.248 1
1 167 . 8 1 1 A 25 25 PHE HA H 25 4.886 4.915 -0.029 1
1 175 . 8 1 1 A 25 25 PHE C C 25 175.982 175.809 0.173 1
1 176 . 8 1 1 A 25 25 PHE CA C 25 57.301 56.487 0.814 1
1 177 . 8 1 1 A 25 25 PHE CB C 25 44.782 43.392 1.390 1
1 183 . 8 1 1 A 25 25 PHE N N 25 116.161 118.050 -1.889 1
1 184 . 8 1 1 A 26 26 ARG HA H 26 4.550 4.425 0.125 1
1 191 . 8 1 1 A 26 26 ARG C C 26 175.820 176.586 -0.766 1
1 192 . 8 1 1 A 26 26 ARG CA C 26 57.830 58.404 -0.574 1
1 193 . 8 1 1 A 26 26 ARG CB C 26 31.465 30.979 0.486 1
1 196 . 8 1 1 A 27 27 GLN H H 27 7.052 7.818 -0.766 1
1 197 . 8 1 1 A 27 27 GLN HA H 27 4.820 4.313 0.507 1
1 204 . 8 1 1 A 27 27 GLN C C 27 175.929 176.215 -0.286 1
1 205 . 8 1 1 A 27 27 GLN CA C 27 53.971 54.681 -0.710 1
1 206 . 8 1 1 A 27 27 GLN CB C 27 32.968 30.050 2.918 1
1 208 . 8 1 1 A 27 27 GLN N N 27 111.833 117.838 -6.005 1
1 210 . 8 1 1 A 28 28 LYS H H 28 8.616 8.055 0.561 1
1 211 . 8 1 1 A 28 28 LYS HA H 28 3.013 3.522 -0.509 1
1 220 . 8 1 1 A 28 28 LYS C C 28 177.891 178.283 -0.392 1
1 221 . 8 1 1 A 28 28 LYS CA C 28 59.351 58.618 0.733 1
1 222 . 8 1 1 A 28 28 LYS CB C 28 31.901 31.685 0.216 1
1 226 . 8 1 1 A 28 28 LYS N N 28 127.969 122.571 5.398 1
1 227 . 8 1 1 A 29 29 GLN H H 29 9.039 7.826 1.213 1
1 228 . 8 1 1 A 29 29 GLN HA H 29 4.110 3.928 0.182 1
1 235 . 8 1 1 A 29 29 GLN C C 29 178.275 178.377 -0.102 1
1 236 . 8 1 1 A 29 29 GLN CA C 29 59.073 58.819 0.254 1
1 237 . 8 1 1 A 29 29 GLN CB C 29 27.673 28.064 -0.391 1
1 239 . 8 1 1 A 29 29 GLN N N 29 116.426 119.216 -2.790 1
1 241 . 8 1 1 A 30 30 LEU H H 30 6.687 7.728 -1.041 1
1 242 . 8 1 1 A 30 30 LEU HA H 30 4.105 3.844 0.261 1
1 252 . 8 1 1 A 30 30 LEU C C 30 179.455 178.870 0.585 1
1 253 . 8 1 1 A 30 30 LEU CA C 30 56.878 57.426 -0.548 1
1 254 . 8 1 1 A 30 30 LEU CB C 30 41.552 41.319 0.233 1
1 258 . 8 1 1 A 30 30 LEU N N 30 116.469 119.785 -3.316 1
1 259 . 8 1 1 A 31 31 LEU H H 31 6.875 7.488 -0.613 1
1 260 . 8 1 1 A 31 31 LEU HA H 31 3.174 2.503 0.671 1
1 270 . 8 1 1 A 31 31 LEU C C 31 177.599 178.039 -0.440 1
1 271 . 8 1 1 A 31 31 LEU CA C 31 57.829 57.020 0.809 1
1 272 . 8 1 1 A 31 31 LEU CB C 31 39.945 40.707 -0.762 1
1 276 . 8 1 1 A 31 31 LEU N N 31 122.863 119.524 3.339 1
1 277 . 8 1 1 A 32 32 ASP H H 32 8.429 7.944 0.485 1
1 278 . 8 1 1 A 32 32 ASP HA H 32 4.356 4.215 0.141 1
1 281 . 8 1 1 A 32 32 ASP C C 32 179.142 178.110 1.032 1
1 282 . 8 1 1 A 32 32 ASP CA C 32 57.830 57.062 0.768 1
1 283 . 8 1 1 A 32 32 ASP CB C 32 39.978 40.955 -0.977 1
1 284 . 8 1 1 A 32 32 ASP N N 32 120.350 119.170 1.180 1
1 285 . 8 1 1 A 33 33 MET H H 33 7.738 8.297 -0.559 1
1 286 . 8 1 1 A 33 33 MET HA H 33 4.167 3.734 0.433 1
1 294 . 8 1 1 A 33 33 MET C C 33 178.463 177.896 0.567 1
1 295 . 8 1 1 A 33 33 MET CA C 33 58.454 58.133 0.321 1
1 296 . 8 1 1 A 33 33 MET CB C 33 32.924 32.227 0.697 1
1 299 . 8 1 1 A 33 33 MET N N 33 118.109 118.850 -0.741 1
1 300 . 8 1 1 A 34 34 HIS H H 34 7.632 8.120 -0.488 1
1 301 . 8 1 1 A 34 34 HIS HA H 34 4.396 4.206 0.190 1
1 306 . 8 1 1 A 34 34 HIS C C 34 176.258 176.600 -0.342 1
1 307 . 8 1 1 A 34 34 HIS CA C 34 59.715 59.061 0.654 1
1 308 . 8 1 1 A 34 34 HIS CB C 34 28.594 29.703 -1.109 1
1 311 . 8 1 1 A 34 34 HIS N N 34 120.242 120.615 -0.373 1
1 312 . 8 1 1 A 35 35 PHE H H 35 9.373 7.708 1.665 1
1 313 . 8 1 1 A 35 35 PHE HA H 35 3.726 3.904 -0.178 1
1 321 . 8 1 1 A 35 35 PHE C C 35 178.043 177.412 0.631 1
1 322 . 8 1 1 A 35 35 PHE CA C 35 62.870 61.135 1.735 1
1 323 . 8 1 1 A 35 35 PHE CB C 35 39.846 39.443 0.403 1
1 329 . 8 1 1 A 35 35 PHE N N 35 121.691 120.133 1.558 1
1 330 . 8 1 1 A 36 36 LYS H H 36 7.861 7.943 -0.082 1
1 331 . 8 1 1 A 36 36 LYS HA H 36 4.139 4.455 -0.316 1
1 340 . 8 1 1 A 36 36 LYS C C 36 176.843 178.450 -1.607 1
1 341 . 8 1 1 A 36 36 LYS CA C 36 58.198 58.371 -0.173 1
1 342 . 8 1 1 A 36 36 LYS CB C 36 32.906 32.441 0.465 1
1 346 . 8 1 1 A 36 36 LYS N N 36 118.022 117.929 0.093 1
1 347 . 8 1 1 A 37 37 ARG H H 37 7.298 7.617 -0.319 1
1 348 . 8 1 1 A 37 37 ARG HA H 37 3.717 4.448 -0.731 1
1 355 . 8 1 1 A 37 37 ARG C C 37 177.872 178.381 -0.509 1
1 356 . 8 1 1 A 37 37 ARG CA C 37 57.874 58.206 -0.332 1
1 357 . 8 1 1 A 37 37 ARG CB C 37 30.619 30.899 -0.280 1
1 360 . 8 1 1 A 37 37 ARG N N 37 114.740 120.415 -5.675 1
1 361 . 8 1 1 A 38 38 TYR H H 38 7.779 8.366 -0.587 1
1 362 . 8 1 1 A 38 38 TYR HA H 38 4.146 4.161 -0.015 1
1 369 . 8 1 1 A 38 38 TYR C C 38 176.160 178.548 -2.388 1
1 370 . 8 1 1 A 38 38 TYR CA C 38 59.941 60.192 -0.251 1
1 371 . 8 1 1 A 38 38 TYR CB C 38 38.516 38.117 0.399 1
1 376 . 8 1 1 A 38 38 TYR N N 38 112.257 118.801 -6.544 1
1 377 . 8 1 1 A 39 39 HIS H H 39 7.679 7.710 -0.031 1
1 378 . 8 1 1 A 39 39 HIS HA H 39 4.943 4.435 0.508 1
1 383 . 8 1 1 A 39 39 HIS C C 39 173.845 174.825 -0.980 1
1 384 . 8 1 1 A 39 39 HIS CA C 39 54.045 58.272 -4.227 1
1 385 . 8 1 1 A 39 39 HIS CB C 39 29.490 28.979 0.511 1
1 388 . 8 1 1 A 39 39 HIS N N 39 114.679 116.655 -1.976 1
1 389 . 8 1 1 A 40 40 ASP H H 40 7.317 7.376 -0.059 1
1 390 . 8 1 1 A 40 40 ASP HA H 40 4.800 4.952 -0.152 1
1 393 . 8 1 1 A 40 40 ASP C C 40 175.035 175.190 -0.155 1
1 394 . 8 1 1 A 40 40 ASP CA C 40 51.697 50.423 1.274 1
1 395 . 8 1 1 A 40 40 ASP CB C 40 42.630 43.335 -0.705 1
1 396 . 8 1 1 A 40 40 ASP N N 40 119.125 117.441 1.684 1
1 397 . 8 1 1 A 41 41 PRO HA H 41 4.552 4.390 0.162 1
1 404 . 8 1 1 A 41 41 PRO C C 41 177.331 178.011 -0.680 1
1 405 . 8 1 1 A 41 41 PRO CA C 41 64.019 64.050 -0.031 1
1 406 . 8 1 1 A 41 41 PRO CB C 41 32.235 31.878 0.357 1
1 409 . 8 1 1 A 42 42 ASN H H 42 8.484 8.829 -0.345 1
1 410 . 8 1 1 A 42 42 ASN HA H 42 4.703 4.512 0.191 1
1 415 . 8 1 1 A 42 42 ASN C C 42 174.879 176.662 -1.783 1
1 416 . 8 1 1 A 42 42 ASN CA C 42 53.371 56.520 -3.149 1
1 417 . 8 1 1 A 42 42 ASN CB C 42 39.009 38.191 0.818 1
1 418 . 8 1 1 A 42 42 ASN N N 42 116.107 117.431 -1.324 1
1 420 . 8 1 1 A 43 43 PHE H H 43 7.741 7.806 -0.065 1
1 421 . 8 1 1 A 43 43 PHE HA H 43 4.448 4.536 -0.088 1
1 429 . 8 1 1 A 43 43 PHE CA C 43 58.640 59.691 -1.051 1
1 430 . 8 1 1 A 43 43 PHE CB C 43 40.203 39.585 0.618 1
1 436 . 8 1 1 A 43 43 PHE N N 43 121.284 118.682 2.602 1
1 437 . 8 1 1 A 44 44 VAL H H 44 7.718 8.284 -0.566 1
1 438 . 8 1 1 A 44 44 VAL HA H 44 4.221 4.817 -0.596 1
1 446 . 8 1 1 A 44 44 VAL C C 44 173.190 173.323 -0.133 1
1 447 . 8 1 1 A 44 44 VAL CA C 44 59.177 58.454 0.723 1
1 448 . 8 1 1 A 44 44 VAL CB C 44 33.260 34.876 -1.616 1
1 451 . 8 1 1 A 44 44 VAL N N 44 126.832 126.741 0.091 1
1 452 . 8 1 1 A 45 45 PRO HA H 45 4.114 4.726 -0.612 1
1 459 . 8 1 1 A 45 45 PRO C C 45 176.031 177.529 -1.498 1
1 460 . 8 1 1 A 45 45 PRO CA C 45 62.732 62.220 0.512 1
1 461 . 8 1 1 A 45 45 PRO CB C 45 32.197 32.618 -0.421 1
1 464 . 8 1 1 A 46 46 ALA H H 46 8.199 8.382 -0.183 1
1 465 . 8 1 1 A 46 46 ALA HA H 46 4.161 4.560 -0.399 1
1 469 . 8 1 1 A 46 46 ALA C C 46 176.631 176.641 -0.010 1
1 470 . 8 1 1 A 46 46 ALA CA C 46 52.105 52.382 -0.277 1
1 471 . 8 1 1 A 46 46 ALA CB C 46 19.315 19.469 -0.154 1
1 472 . 8 1 1 A 46 46 ALA N N 46 124.122 125.766 -1.644 1
1 473 . 8 1 1 A 47 47 ALA H H 47 7.755 8.910 -1.155 1
1 474 . 8 1 1 A 47 47 ALA HA H 47 4.218 5.196 -0.978 1
1 478 . 8 1 1 A 47 47 ALA C C 47 176.322 175.599 0.723 1
1 479 . 8 1 1 A 47 47 ALA CA C 47 52.140 50.419 1.721 1
1 480 . 8 1 1 A 47 47 ALA CB C 47 20.283 19.786 0.497 1
1 481 . 8 1 1 A 47 47 ALA N N 47 121.689 127.113 -5.424 1
1 482 . 8 1 1 A 48 48 PHE H H 48 8.323 9.382 -1.059 1
1 483 . 8 1 1 A 48 48 PHE HA H 48 4.782 5.122 -0.340 1
1 491 . 8 1 1 A 48 48 PHE C C 48 174.258 174.713 -0.455 1
1 492 . 8 1 1 A 48 48 PHE CA C 48 57.108 56.718 0.390 1
1 493 . 8 1 1 A 48 48 PHE CB C 48 40.615 40.603 0.012 1
1 499 . 8 1 1 A 48 48 PHE N N 48 118.583 122.812 -4.229 1
1 500 . 8 1 1 A 49 49 VAL H H 49 8.584 9.106 -0.522 1
1 501 . 8 1 1 A 49 49 VAL HA H 49 4.829 4.832 -0.003 1
1 509 . 8 1 1 A 49 49 VAL C C 49 175.667 175.828 -0.161 1
1 510 . 8 1 1 A 49 49 VAL CA C 49 60.508 61.682 -1.174 1
1 511 . 8 1 1 A 49 49 VAL CB C 49 35.158 33.225 1.933 1
1 514 . 8 1 1 A 49 49 VAL N N 49 123.555 124.471 -0.916 1
1 515 . 8 1 1 A 50 50 CYS H H 50 9.170 8.794 0.376 1
1 516 . 8 1 1 A 50 50 CYS HA H 50 4.593 4.591 0.002 1
1 519 . 8 1 1 A 50 50 CYS C C 50 177.661 174.600 3.061 1
1 520 . 8 1 1 A 50 50 CYS CA C 50 59.909 59.334 0.575 1
1 521 . 8 1 1 A 50 50 CYS CB C 50 30.835 28.759 2.076 1
1 522 . 8 1 1 A 50 50 CYS N N 50 128.866 127.582 1.284 1
1 523 . 8 1 1 A 51 51 SER H H 51 9.205 8.908 0.297 1
1 524 . 8 1 1 A 51 51 SER HA H 51 4.271 4.679 -0.408 1
1 527 . 8 1 1 A 51 51 SER C C 51 174.401 175.460 -1.059 1
1 528 . 8 1 1 A 51 51 SER CA C 51 60.890 58.674 2.216 1
1 529 . 8 1 1 A 51 51 SER CB C 51 63.231 65.694 -2.463 1
1 530 . 8 1 1 A 51 51 SER N N 51 128.162 120.120 8.042 1
1 531 . 8 1 1 A 52 52 LYS H H 52 9.118 8.100 1.018 1
1 532 . 8 1 1 A 52 52 LYS HA H 52 4.421 4.209 0.212 1
1 541 . 8 1 1 A 52 52 LYS C C 52 177.831 178.006 -0.175 1
1 542 . 8 1 1 A 52 52 LYS CA C 52 58.535 58.591 -0.056 1
1 543 . 8 1 1 A 52 52 LYS CB C 52 34.152 33.212 0.940 1
1 547 . 8 1 1 A 52 52 LYS N N 52 123.970 119.898 4.072 1
1 548 . 8 1 1 A 53 53 CYS H H 53 8.241 8.121 0.120 1
1 549 . 8 1 1 A 53 53 CYS HA H 53 4.999 4.690 0.309 1
1 552 . 8 1 1 A 53 53 CYS C C 53 176.529 175.562 0.967 1
1 553 . 8 1 1 A 53 53 CYS CA C 53 58.587 59.622 -1.035 1
1 554 . 8 1 1 A 53 53 CYS CB C 53 33.353 29.934 3.419 1
1 555 . 8 1 1 A 53 53 CYS N N 53 115.684 114.766 0.918 1
1 556 . 8 1 1 A 54 54 GLY H H 54 8.290 8.259 0.031 1
1 557 . 8 1 1 A 54 54 GLY HA2 H 54 4.226 4.075 0.151 1
1 558 . 8 1 1 A 54 54 GLY HA3 H 54 3.733 4.097 -0.364 1
1 559 . 8 1 1 A 54 54 GLY C C 54 173.761 174.544 -0.783 1
1 560 . 8 1 1 A 54 54 GLY CA C 54 46.147 45.310 0.837 1
1 561 . 8 1 1 A 54 54 GLY N N 54 113.723 110.412 3.311 1
1 562 . 8 1 1 A 55 55 LYS H H 55 8.598 7.344 1.254 1
1 563 . 8 1 1 A 55 55 LYS HA H 55 4.074 4.560 -0.486 1
1 572 . 8 1 1 A 55 55 LYS C C 55 174.748 175.538 -0.790 1
1 573 . 8 1 1 A 55 55 LYS CA C 55 58.270 55.968 2.302 1
1 574 . 8 1 1 A 55 55 LYS CB C 55 33.778 34.433 -0.655 1
1 578 . 8 1 1 A 55 55 LYS N N 55 124.175 119.533 4.642 1
1 579 . 8 1 1 A 56 56 THR H H 56 7.708 8.441 -0.733 1
1 580 . 8 1 1 A 56 56 THR HA H 56 5.028 5.407 -0.379 1
1 585 . 8 1 1 A 56 56 THR C C 56 173.673 173.467 0.206 1
1 586 . 8 1 1 A 56 56 THR CA C 56 60.779 59.265 1.514 1
1 587 . 8 1 1 A 56 56 THR CB C 56 70.823 71.679 -0.856 1
1 589 . 8 1 1 A 56 56 THR N N 56 113.091 111.713 1.378 1
1 590 . 8 1 1 A 57 57 PHE H H 57 8.944 8.701 0.243 1
1 591 . 8 1 1 A 57 57 PHE HA H 57 4.850 4.938 -0.088 1
1 599 . 8 1 1 A 57 57 PHE C C 57 175.764 174.671 1.093 1
1 600 . 8 1 1 A 57 57 PHE CA C 57 56.949 56.835 0.114 1
1 601 . 8 1 1 A 57 57 PHE CB C 57 43.729 43.105 0.624 1
1 607 . 8 1 1 A 57 57 PHE N N 57 119.958 119.489 0.469 1
1 608 . 8 1 1 A 58 58 THR HA H 58 4.629 4.978 -0.349 1
1 613 . 8 1 1 A 58 58 THR CA C 58 62.738 61.618 1.120 1
1 614 . 8 1 1 A 58 58 THR CB C 58 69.810 68.691 1.119 1
1 616 . 8 1 1 A 59 59 ARG H H 59 7.422 7.618 -0.196 1
1 617 . 8 1 1 A 59 59 ARG HA H 59 4.740 4.679 0.061 1
1 624 . 8 1 1 A 59 59 ARG CA C 59 54.724 54.825 -0.101 1
1 625 . 8 1 1 A 59 59 ARG CB C 59 33.659 34.077 -0.418 1
1 628 . 8 1 1 A 59 59 ARG N N 59 118.359 120.887 -2.528 1
1 629 . 8 1 1 A 60 60 ARG HA H 60 2.949 2.921 0.028 1
1 636 . 8 1 1 A 60 60 ARG CA C 60 59.468 57.907 1.561 1
1 637 . 8 1 1 A 60 60 ARG CB C 60 29.732 29.338 0.394 1
1 640 . 8 1 1 A 61 61 ASN HA H 61 4.332 4.339 -0.007 1
1 645 . 8 1 1 A 61 61 ASN C C 61 177.497 177.943 -0.446 1
1 646 . 8 1 1 A 61 61 ASN CA C 61 56.212 56.130 0.082 1
1 647 . 8 1 1 A 61 61 ASN CB C 61 37.142 38.371 -1.229 1
1 649 . 8 1 1 A 62 62 THR H H 62 7.076 8.137 -1.061 1
1 650 . 8 1 1 A 62 62 THR HA H 62 3.893 3.750 0.143 1
1 655 . 8 1 1 A 62 62 THR C C 62 176.684 175.834 0.850 1
1 656 . 8 1 1 A 62 62 THR CA C 62 65.025 67.138 -2.113 1
1 657 . 8 1 1 A 62 62 THR CB C 62 68.112 68.245 -0.133 1
1 659 . 8 1 1 A 62 62 THR N N 62 115.050 114.422 0.628 1
1 660 . 8 1 1 A 63 63 MET H H 63 7.149 8.108 -0.959 1
1 661 . 8 1 1 A 63 63 MET HA H 63 2.545 2.910 -0.365 1
1 669 . 8 1 1 A 63 63 MET C C 63 176.978 177.511 -0.533 1
1 670 . 8 1 1 A 63 63 MET CA C 63 58.791 58.102 0.689 1
1 671 . 8 1 1 A 63 63 MET CB C 63 31.556 31.817 -0.261 1
1 674 . 8 1 1 A 63 63 MET N N 63 122.700 119.722 2.978 1
1 675 . 8 1 1 A 64 64 ALA H H 64 8.383 7.852 0.531 1
1 676 . 8 1 1 A 64 64 ALA HA H 64 3.944 3.861 0.083 1
1 680 . 8 1 1 A 64 64 ALA C C 64 179.879 179.911 -0.032 1
1 681 . 8 1 1 A 64 64 ALA CA C 64 55.324 55.360 -0.036 1
1 682 . 8 1 1 A 64 64 ALA CB C 64 18.033 18.418 -0.385 1
1 683 . 8 1 1 A 64 64 ALA N N 64 122.001 121.219 0.782 1
1 684 . 8 1 1 A 65 65 ARG H H 65 7.574 8.014 -0.440 1
1 685 . 8 1 1 A 65 65 ARG HA H 65 4.139 3.985 0.154 1
1 692 . 8 1 1 A 65 65 ARG C C 65 178.946 179.130 -0.184 1
1 693 . 8 1 1 A 65 65 ARG CA C 65 58.182 59.467 -1.285 1
1 694 . 8 1 1 A 65 65 ARG CB C 65 30.153 29.623 0.530 1
1 697 . 8 1 1 A 65 65 ARG N N 65 116.551 117.995 -1.444 1
1 698 . 8 1 1 A 66 66 HIS H H 66 7.455 8.224 -0.769 1
1 699 . 8 1 1 A 66 66 HIS HA H 66 4.271 4.313 -0.042 1
1 704 . 8 1 1 A 66 66 HIS C C 66 177.633 176.998 0.635 1
1 705 . 8 1 1 A 66 66 HIS CA C 66 59.046 59.679 -0.633 1
1 706 . 8 1 1 A 66 66 HIS CB C 66 27.820 29.162 -1.342 1
1 709 . 8 1 1 A 66 66 HIS N N 66 118.483 119.919 -1.436 1
1 710 . 8 1 1 A 67 67 ALA H H 67 8.869 8.096 0.773 1
1 711 . 8 1 1 A 67 67 ALA HA H 67 3.968 3.674 0.294 1
1 715 . 8 1 1 A 67 67 ALA C C 67 179.374 179.325 0.049 1
1 716 . 8 1 1 A 67 67 ALA CA C 67 55.186 55.107 0.079 1
1 717 . 8 1 1 A 67 67 ALA CB C 67 18.851 18.166 0.685 1
1 718 . 8 1 1 A 67 67 ALA N N 67 122.114 120.791 1.323 1
1 719 . 8 1 1 A 68 68 ASP H H 68 7.476 7.759 -0.283 1
1 720 . 8 1 1 A 68 68 ASP HA H 68 4.401 4.241 0.160 1
1 723 . 8 1 1 A 68 68 ASP C C 68 176.580 178.419 -1.839 1
1 724 . 8 1 1 A 68 68 ASP CA C 68 56.772 57.644 -0.872 1
1 725 . 8 1 1 A 68 68 ASP CB C 68 40.945 40.181 0.764 1
1 726 . 8 1 1 A 68 68 ASP N N 68 116.466 119.827 -3.361 1
1 727 . 8 1 1 A 69 69 ASN H H 69 7.227 7.124 0.103 1
1 728 . 8 1 1 A 69 69 ASN HA H 69 4.905 4.735 0.170 1
1 733 . 8 1 1 A 69 69 ASN C C 69 173.603 175.152 -1.549 1
1 734 . 8 1 1 A 69 69 ASN CA C 69 52.518 53.736 -1.218 1
1 735 . 8 1 1 A 69 69 ASN CB C 69 40.657 38.725 1.932 1
1 736 . 8 1 1 A 69 69 ASN N N 69 114.158 114.558 -0.400 1
1 738 . 8 1 1 A 70 70 CYS H H 70 7.201 7.137 0.064 1
1 739 . 8 1 1 A 70 70 CYS HA H 70 3.902 4.227 -0.325 1
1 742 . 8 1 1 A 70 70 CYS C C 70 175.424 175.573 -0.149 1
1 743 . 8 1 1 A 70 70 CYS CA C 70 61.195 59.267 1.928 1
1 744 . 8 1 1 A 70 70 CYS CB C 70 29.288 28.610 0.678 1
1 745 . 8 1 1 A 70 70 CYS N N 70 124.154 120.045 4.109 1
1 746 . 8 1 1 A 71 71 ALA H H 71 8.783 8.528 0.255 1
1 747 . 8 1 1 A 71 71 ALA HA H 71 4.562 4.575 -0.013 1
1 751 . 8 1 1 A 71 71 ALA C C 71 177.513 177.782 -0.269 1
1 752 . 8 1 1 A 71 71 ALA CA C 71 51.926 51.345 0.581 1
1 753 . 8 1 1 A 71 71 ALA CB C 71 19.698 19.726 -0.028 1
1 754 . 8 1 1 A 71 71 ALA N N 71 131.493 128.583 2.910 1
1 755 . 8 1 1 A 72 72 GLY H H 72 8.645 8.226 0.419 1
1 756 . 8 1 1 A 72 72 GLY HA2 H 72 4.469 4.218 0.251 1
1 757 . 8 1 1 A 72 72 GLY HA3 H 72 3.628 4.228 -0.600 1
1 758 . 8 1 1 A 72 72 GLY C C 72 171.320 173.557 -2.237 1
1 759 . 8 1 1 A 72 72 GLY CA C 72 44.286 44.363 -0.077 1
1 760 . 8 1 1 A 72 72 GLY N N 72 110.083 107.494 2.589 1
1 761 . 8 1 1 A 73 73 PRO HA H 73 4.470 4.733 -0.263 1
1 768 . 8 1 1 A 73 73 PRO C C 73 176.905 174.828 2.077 1
1 769 . 8 1 1 A 73 73 PRO CA C 73 63.706 62.725 0.981 1
1 770 . 8 1 1 A 73 73 PRO CB C 73 32.344 33.431 -1.087 1
1 773 . 8 1 1 A 74 74 ASP H H 74 8.506 8.889 -0.383 1
1 774 . 8 1 1 A 74 74 ASP HA H 74 4.659 4.952 -0.293 1
1 777 . 8 1 1 A 74 74 ASP C C 74 176.869 174.948 1.921 1
1 778 . 8 1 1 A 74 74 ASP CA C 74 54.617 53.072 1.545 1
1 779 . 8 1 1 A 74 74 ASP CB C 74 41.335 44.716 -3.381 1
1 780 . 8 1 1 A 74 74 ASP N N 74 120.155 121.296 -1.141 1
1 781 . 8 1 1 A 75 75 GLY H H 75 8.257 8.768 -0.511 1
1 782 . 8 1 1 A 75 75 GLY HA2 H 75 4.072 3.971 0.101 1
1 783 . 8 1 1 A 75 75 GLY HA3 H 75 3.965 3.971 -0.006 1
1 784 . 8 1 1 A 75 75 GLY C C 75 174.256 173.275 0.981 1
1 785 . 8 1 1 A 75 75 GLY CA C 75 45.653 46.288 -0.635 1
1 786 . 8 1 1 A 75 75 GLY N N 75 108.913 112.928 -4.015 1
1 787 . 8 1 1 A 76 76 VAL H H 76 8.079 8.603 -0.524 1
1 788 . 8 1 1 A 76 76 VAL HA H 76 4.169 4.672 -0.503 1
1 796 . 8 1 1 A 76 76 VAL C C 76 176.347 174.660 1.687 1
1 797 . 8 1 1 A 76 76 VAL CA C 76 62.295 60.628 1.667 1
1 798 . 8 1 1 A 76 76 VAL CB C 76 32.871 35.541 -2.670 1
1 801 . 8 1 1 A 76 76 VAL N N 76 119.508 125.697 -6.189 1
1 802 . 8 1 1 A 77 77 GLU H H 77 8.619 8.732 -0.113 1
1 803 . 8 1 1 A 77 77 GLU HA H 77 4.310 4.936 -0.626 1
1 808 . 8 1 1 A 77 77 GLU C C 77 177.046 175.891 1.155 1
1 809 . 8 1 1 A 77 77 GLU CA C 77 56.966 54.347 2.619 1
1 810 . 8 1 1 A 77 77 GLU CB C 77 30.318 33.033 -2.715 1
1 812 . 8 1 1 A 77 77 GLU N N 77 125.001 122.897 2.104 1
1 813 . 8 1 1 A 78 78 GLY H H 78 8.446 8.820 -0.374 1
1 814 . 8 1 1 A 78 78 GLY HA2 H 78 3.987 3.946 0.041 1
1 815 . 8 1 1 A 78 78 GLY HA3 H 78 3.987 3.947 0.040 1
1 816 . 8 1 1 A 78 78 GLY C C 78 174.238 175.159 -0.921 1
1 817 . 8 1 1 A 78 78 GLY CA C 78 45.283 46.622 -1.339 1
1 818 . 8 1 1 A 78 78 GLY N N 78 110.357 110.964 -0.607 1
1 819 . 8 1 1 A 79 79 GLU H H 79 8.313 8.284 0.029 1
1 820 . 8 1 1 A 79 79 GLU HA H 79 4.309 4.137 0.172 1
1 825 . 8 1 1 A 79 79 GLU C C 79 176.509 176.808 -0.299 1
1 826 . 8 1 1 A 79 79 GLU CA C 79 56.755 58.799 -2.044 1
1 827 . 8 1 1 A 79 79 GLU CB C 79 30.317 30.151 0.166 1
1 829 . 8 1 1 A 79 79 GLU N N 79 120.638 118.508 2.130 1
1 830 . 8 1 1 A 80 80 ASN H H 80 8.588 7.766 0.822 1
1 831 . 8 1 1 A 80 80 ASN HA H 80 4.801 5.009 -0.208 1
1 834 . 8 1 1 A 80 80 ASN C C 80 175.202 172.804 2.398 1
1 835 . 8 1 1 A 80 80 ASN CA C 80 53.336 53.173 0.163 1
1 836 . 8 1 1 A 80 80 ASN CB C 80 39.051 42.044 -2.993 1
1 837 . 8 1 1 A 80 80 ASN N N 80 119.808 115.861 3.947 1
1 838 . 8 1 1 A 81 81 SER H H 81 8.322 8.725 -0.403 1
1 839 . 8 1 1 A 81 81 SER HA H 81 4.517 5.346 -0.829 1
1 842 . 8 1 1 A 81 81 SER C C 81 174.643 173.988 0.655 1
1 843 . 8 1 1 A 81 81 SER CA C 81 58.499 56.230 2.269 1
1 844 . 8 1 1 A 81 81 SER CB C 81 64.056 65.356 -1.300 1
1 845 . 8 1 1 A 81 81 SER N N 81 116.318 120.306 -3.988 1
1 846 . 8 1 1 A 82 82 GLY H H 82 8.303 8.397 -0.094 1
1 847 . 8 1 1 A 82 82 GLY HA2 H 82 4.170 4.176 -0.006 1
1 848 . 8 1 1 A 82 82 GLY HA3 H 82 4.125 4.177 -0.052 1
1 849 . 8 1 1 A 82 82 GLY C C 82 171.855 170.922 0.933 1
1 850 . 8 1 1 A 82 82 GLY CA C 82 44.719 45.402 -0.683 1
1 851 . 8 1 1 A 82 82 GLY N N 82 110.706 113.069 -2.363 1
1 852 . 8 1 1 A 83 83 PRO HA H 83 4.498 4.646 -0.148 1
1 859 . 8 1 1 A 83 83 PRO C C 83 177.459 175.284 2.175 1
1 860 . 8 1 1 A 83 83 PRO CA C 83 63.274 62.635 0.639 1
1 861 . 8 1 1 A 83 83 PRO CB C 83 32.254 33.417 -1.163 1
1 864 . 8 1 1 A 84 84 SER H H 84 8.541 8.322 0.219 1
1 865 . 8 1 1 A 84 84 SER HA H 84 4.508 5.131 -0.623 1
1 868 . 8 1 1 A 84 84 SER C C 84 174.744 173.144 1.600 1
1 869 . 8 1 1 A 84 84 SER CA C 84 58.412 57.886 0.526 1
1 870 . 8 1 1 A 84 84 SER CB C 84 64.056 65.114 -1.058 1
1 871 . 8 1 1 A 84 84 SER N N 84 116.449 115.664 0.785 1
1 872 . 8 1 1 A 85 85 SER H H 85 8.353 8.621 -0.268 1
1 873 . 8 1 1 A 85 85 SER HA H 85 4.517 4.989 -0.472 1
1 876 . 8 1 1 A 85 85 SER C C 85 173.953 172.889 1.064 1
1 877 . 8 1 1 A 85 85 SER CA C 85 58.492 57.696 0.796 1
1 878 . 8 1 1 A 85 85 SER CB C 85 64.138 67.576 -3.438 1
1 879 . 8 1 1 A 85 85 SER N N 85 117.940 120.555 -2.615 1
1 1 . 9 1 1 A 8 8 ARG HA H 8 4.432 5.093 -0.661 1
1 7 . 9 1 1 A 8 8 ARG CA C 8 56.069 54.806 1.263 1
1 8 . 9 1 1 A 8 8 ARG CB C 8 30.974 33.803 -2.829 1
1 14 . 9 1 1 A 9 9 THR CB C 9 69.816 70.441 -0.625 1
1 16 . 9 1 1 A 10 10 HIS HA H 10 4.730 4.433 0.297 1
1 21 . 9 1 1 A 10 10 HIS CA C 10 56.345 57.681 -1.336 1
1 22 . 9 1 1 A 10 10 HIS CB C 10 31.058 29.765 1.293 1
1 28 . 9 1 1 A 11 11 THR CB C 11 69.816 69.205 0.611 1
1 30 . 9 1 1 A 12 12 GLY HA2 H 12 3.978 4.358 -0.380 1
1 31 . 9 1 1 A 12 12 GLY HA3 H 12 3.978 4.361 -0.383 1
1 32 . 9 1 1 A 12 12 GLY CA C 12 45.442 45.912 -0.470 1
1 33 . 9 1 1 A 13 13 GLU H H 13 8.243 8.733 -0.490 1
1 34 . 9 1 1 A 13 13 GLU HA H 13 4.235 5.024 -0.789 1
1 39 . 9 1 1 A 13 13 GLU CA C 13 56.898 54.469 2.429 1
1 40 . 9 1 1 A 13 13 GLU CB C 13 30.495 33.670 -3.175 1
1 42 . 9 1 1 A 13 13 GLU N N 13 120.364 117.166 3.198 1
1 43 . 9 1 1 A 14 14 LYS H H 14 8.276 8.560 -0.284 1
1 44 . 9 1 1 A 14 14 LYS HA H 14 4.528 5.037 -0.509 1
1 53 . 9 1 1 A 14 14 LYS CA C 14 54.009 52.796 1.213 1
1 54 . 9 1 1 A 14 14 LYS CB C 14 32.667 33.342 -0.675 1
1 58 . 9 1 1 A 14 14 LYS N N 14 121.981 121.576 0.405 1
1 59 . 9 1 1 A 15 15 PRO HA H 15 4.347 4.401 -0.054 1
1 66 . 9 1 1 A 15 15 PRO CA C 15 63.237 64.787 -1.550 1
1 67 . 9 1 1 A 15 15 PRO CB C 15 32.365 31.839 0.526 1
1 70 . 9 1 1 A 16 16 TYR H H 16 8.234 7.585 0.649 1
1 71 . 9 1 1 A 16 16 TYR HA H 16 4.508 4.742 -0.234 1
1 78 . 9 1 1 A 16 16 TYR C C 16 174.453 175.066 -0.613 1
1 79 . 9 1 1 A 16 16 TYR CA C 16 58.076 57.212 0.864 1
1 80 . 9 1 1 A 16 16 TYR CB C 16 38.346 38.206 0.140 1
1 85 . 9 1 1 A 16 16 TYR N N 16 118.751 117.928 0.823 1
1 86 . 9 1 1 A 17 17 ALA H H 17 8.567 9.046 -0.479 1
1 87 . 9 1 1 A 17 17 ALA HA H 17 4.754 5.341 -0.587 1
1 91 . 9 1 1 A 17 17 ALA C C 17 176.249 176.359 -0.110 1
1 92 . 9 1 1 A 17 17 ALA CA C 17 51.274 50.431 0.843 1
1 93 . 9 1 1 A 17 17 ALA CB C 17 20.625 21.459 -0.834 1
1 94 . 9 1 1 A 17 17 ALA N N 17 127.897 127.741 0.156 1
1 95 . 9 1 1 A 18 18 CYS H H 18 8.464 9.165 -0.701 1
1 96 . 9 1 1 A 18 18 CYS HA H 18 4.538 4.680 -0.142 1
1 99 . 9 1 1 A 18 18 CYS C C 18 175.739 175.105 0.634 1
1 100 . 9 1 1 A 18 18 CYS CA C 18 60.966 59.993 0.973 1
1 101 . 9 1 1 A 18 18 CYS CB C 18 29.435 28.836 0.599 1
1 102 . 9 1 1 A 18 18 CYS N N 18 125.366 123.045 2.321 1
1 103 . 9 1 1 A 19 19 SER H H 19 8.439 9.239 -0.800 1
1 104 . 9 1 1 A 19 19 SER HA H 19 4.426 4.546 -0.120 1
1 107 . 9 1 1 A 19 19 SER C C 19 175.890 176.584 -0.694 1
1 108 . 9 1 1 A 19 19 SER CA C 19 60.085 61.566 -1.481 1
1 109 . 9 1 1 A 19 19 SER CB C 19 64.097 63.753 0.344 1
1 110 . 9 1 1 A 19 19 SER N N 19 121.912 121.523 0.389 1
1 111 . 9 1 1 A 20 20 HIS H H 20 9.949 8.120 1.829 1
1 112 . 9 1 1 A 20 20 HIS HA H 20 4.579 4.426 0.153 1
1 117 . 9 1 1 A 20 20 HIS C C 20 174.670 175.605 -0.935 1
1 118 . 9 1 1 A 20 20 HIS CA C 20 57.354 58.878 -1.524 1
1 119 . 9 1 1 A 20 20 HIS CB C 20 30.787 29.391 1.396 1
1 122 . 9 1 1 A 20 20 HIS N N 20 126.154 119.065 7.089 1
1 123 . 9 1 1 A 21 21 CYS H H 21 7.972 8.086 -0.114 1
1 124 . 9 1 1 A 21 21 CYS HA H 21 4.947 4.910 0.037 1
1 127 . 9 1 1 A 21 21 CYS C C 21 172.879 173.580 -0.701 1
1 128 . 9 1 1 A 21 21 CYS CA C 21 58.891 56.642 2.249 1
1 129 . 9 1 1 A 21 21 CYS CB C 21 29.766 30.592 -0.826 1
1 130 . 9 1 1 A 21 21 CYS N N 21 119.638 114.843 4.795 1
1 131 . 9 1 1 A 22 22 ASP H H 22 8.167 8.794 -0.627 1
1 132 . 9 1 1 A 22 22 ASP HA H 22 4.668 4.832 -0.164 1
1 135 . 9 1 1 A 22 22 ASP C C 22 176.857 174.631 2.226 1
1 136 . 9 1 1 A 22 22 ASP CA C 22 54.587 52.972 1.615 1
1 137 . 9 1 1 A 22 22 ASP CB C 22 40.758 39.867 0.891 1
1 138 . 9 1 1 A 22 22 ASP N N 22 115.180 121.979 -6.799 1
1 139 . 9 1 1 A 23 23 LYS H H 23 8.407 7.643 0.764 1
1 140 . 9 1 1 A 23 23 LYS HA H 23 4.085 4.673 -0.588 1
1 148 . 9 1 1 A 23 23 LYS C C 23 175.732 175.975 -0.243 1
1 149 . 9 1 1 A 23 23 LYS CA C 23 57.537 54.501 3.036 1
1 150 . 9 1 1 A 23 23 LYS CB C 23 33.593 35.245 -1.652 1
1 154 . 9 1 1 A 23 23 LYS N N 23 122.302 121.921 0.381 1
1 155 . 9 1 1 A 24 24 THR H H 24 7.462 8.430 -0.968 1
1 156 . 9 1 1 A 24 24 THR HA H 24 5.018 5.416 -0.398 1
1 161 . 9 1 1 A 24 24 THR C C 24 173.047 172.683 0.364 1
1 162 . 9 1 1 A 24 24 THR CA C 24 59.500 58.862 0.638 1
1 163 . 9 1 1 A 24 24 THR CB C 24 71.795 72.147 -0.352 1
1 165 . 9 1 1 A 24 24 THR N N 24 110.405 111.866 -1.461 1
1 166 . 9 1 1 A 25 25 PHE H H 25 8.750 8.890 -0.140 1
1 167 . 9 1 1 A 25 25 PHE HA H 25 4.886 4.936 -0.050 1
1 175 . 9 1 1 A 25 25 PHE C C 25 175.982 175.812 0.170 1
1 176 . 9 1 1 A 25 25 PHE CA C 25 57.301 56.499 0.802 1
1 177 . 9 1 1 A 25 25 PHE CB C 25 44.782 43.417 1.365 1
1 183 . 9 1 1 A 25 25 PHE N N 25 116.161 117.800 -1.639 1
1 184 . 9 1 1 A 26 26 ARG HA H 26 4.550 4.455 0.095 1
1 191 . 9 1 1 A 26 26 ARG C C 26 175.820 176.577 -0.757 1
1 192 . 9 1 1 A 26 26 ARG CA C 26 57.830 58.127 -0.297 1
1 193 . 9 1 1 A 26 26 ARG CB C 26 31.465 31.016 0.449 1
1 196 . 9 1 1 A 27 27 GLN H H 27 7.052 7.815 -0.763 1
1 197 . 9 1 1 A 27 27 GLN HA H 27 4.820 4.306 0.514 1
1 204 . 9 1 1 A 27 27 GLN C C 27 175.929 175.844 0.085 1
1 205 . 9 1 1 A 27 27 GLN CA C 27 53.971 54.774 -0.803 1
1 206 . 9 1 1 A 27 27 GLN CB C 27 32.968 30.200 2.768 1
1 208 . 9 1 1 A 27 27 GLN N N 27 111.833 117.578 -5.745 1
1 210 . 9 1 1 A 28 28 LYS H H 28 8.616 8.191 0.425 1
1 211 . 9 1 1 A 28 28 LYS HA H 28 3.013 3.267 -0.254 1
1 220 . 9 1 1 A 28 28 LYS C C 28 177.891 177.977 -0.086 1
1 221 . 9 1 1 A 28 28 LYS CA C 28 59.351 59.968 -0.617 1
1 222 . 9 1 1 A 28 28 LYS CB C 28 31.901 31.816 0.085 1
1 226 . 9 1 1 A 28 28 LYS N N 28 127.969 125.020 2.949 1
1 227 . 9 1 1 A 29 29 GLN H H 29 9.039 7.712 1.327 1
1 228 . 9 1 1 A 29 29 GLN HA H 29 4.110 3.911 0.199 1
1 235 . 9 1 1 A 29 29 GLN C C 29 178.275 178.232 0.043 1
1 236 . 9 1 1 A 29 29 GLN CA C 29 59.073 58.674 0.399 1
1 237 . 9 1 1 A 29 29 GLN CB C 29 27.673 28.384 -0.711 1
1 239 . 9 1 1 A 29 29 GLN N N 29 116.426 118.632 -2.206 1
1 241 . 9 1 1 A 30 30 LEU H H 30 6.687 7.822 -1.135 1
1 242 . 9 1 1 A 30 30 LEU HA H 30 4.105 3.819 0.286 1
1 252 . 9 1 1 A 30 30 LEU C C 30 179.455 178.841 0.614 1
1 253 . 9 1 1 A 30 30 LEU CA C 30 56.878 57.401 -0.523 1
1 254 . 9 1 1 A 30 30 LEU CB C 30 41.552 41.850 -0.298 1
1 258 . 9 1 1 A 30 30 LEU N N 30 116.469 119.944 -3.475 1
1 259 . 9 1 1 A 31 31 LEU H H 31 6.875 7.720 -0.845 1
1 260 . 9 1 1 A 31 31 LEU HA H 31 3.174 2.695 0.479 1
1 270 . 9 1 1 A 31 31 LEU C C 31 177.599 178.112 -0.513 1
1 271 . 9 1 1 A 31 31 LEU CA C 31 57.829 57.090 0.739 1
1 272 . 9 1 1 A 31 31 LEU CB C 31 39.945 40.773 -0.828 1
1 276 . 9 1 1 A 31 31 LEU N N 31 122.863 119.401 3.462 1
1 277 . 9 1 1 A 32 32 ASP H H 32 8.429 8.247 0.182 1
1 278 . 9 1 1 A 32 32 ASP HA H 32 4.356 4.216 0.140 1
1 281 . 9 1 1 A 32 32 ASP C C 32 179.142 178.061 1.081 1
1 282 . 9 1 1 A 32 32 ASP CA C 32 57.830 57.124 0.706 1
1 283 . 9 1 1 A 32 32 ASP CB C 32 39.978 40.846 -0.868 1
1 284 . 9 1 1 A 32 32 ASP N N 32 120.350 119.181 1.169 1
1 285 . 9 1 1 A 33 33 MET H H 33 7.738 8.407 -0.669 1
1 286 . 9 1 1 A 33 33 MET HA H 33 4.167 3.775 0.392 1
1 294 . 9 1 1 A 33 33 MET C C 33 178.463 178.077 0.386 1
1 295 . 9 1 1 A 33 33 MET CA C 33 58.454 57.853 0.601 1
1 296 . 9 1 1 A 33 33 MET CB C 33 32.924 32.135 0.789 1
1 299 . 9 1 1 A 33 33 MET N N 33 118.109 118.667 -0.558 1
1 300 . 9 1 1 A 34 34 HIS H H 34 7.632 8.038 -0.406 1
1 301 . 9 1 1 A 34 34 HIS HA H 34 4.396 4.217 0.179 1
1 306 . 9 1 1 A 34 34 HIS C C 34 176.258 176.703 -0.445 1
1 307 . 9 1 1 A 34 34 HIS CA C 34 59.715 58.976 0.739 1
1 308 . 9 1 1 A 34 34 HIS CB C 34 28.594 29.832 -1.238 1
1 311 . 9 1 1 A 34 34 HIS N N 34 120.242 120.897 -0.655 1
1 312 . 9 1 1 A 35 35 PHE H H 35 9.373 7.674 1.699 1
1 313 . 9 1 1 A 35 35 PHE HA H 35 3.726 3.900 -0.174 1
1 321 . 9 1 1 A 35 35 PHE C C 35 178.043 177.249 0.794 1
1 322 . 9 1 1 A 35 35 PHE CA C 35 62.870 61.171 1.699 1
1 323 . 9 1 1 A 35 35 PHE CB C 35 39.846 39.289 0.557 1
1 329 . 9 1 1 A 35 35 PHE N N 35 121.691 120.308 1.383 1
1 330 . 9 1 1 A 36 36 LYS H H 36 7.861 7.890 -0.029 1
1 331 . 9 1 1 A 36 36 LYS HA H 36 4.139 4.469 -0.330 1
1 340 . 9 1 1 A 36 36 LYS C C 36 176.843 178.449 -1.606 1
1 341 . 9 1 1 A 36 36 LYS CA C 36 58.198 58.476 -0.278 1
1 342 . 9 1 1 A 36 36 LYS CB C 36 32.906 32.322 0.584 1
1 346 . 9 1 1 A 36 36 LYS N N 36 118.022 117.919 0.103 1
1 347 . 9 1 1 A 37 37 ARG H H 37 7.298 7.539 -0.241 1
1 348 . 9 1 1 A 37 37 ARG HA H 37 3.717 4.394 -0.677 1
1 355 . 9 1 1 A 37 37 ARG C C 37 177.872 178.337 -0.465 1
1 356 . 9 1 1 A 37 37 ARG CA C 37 57.874 58.217 -0.343 1
1 357 . 9 1 1 A 37 37 ARG CB C 37 30.619 30.916 -0.297 1
1 360 . 9 1 1 A 37 37 ARG N N 37 114.740 120.437 -5.697 1
1 361 . 9 1 1 A 38 38 TYR H H 38 7.779 8.385 -0.606 1
1 362 . 9 1 1 A 38 38 TYR HA H 38 4.146 4.159 -0.013 1
1 369 . 9 1 1 A 38 38 TYR C C 38 176.160 178.556 -2.396 1
1 370 . 9 1 1 A 38 38 TYR CA C 38 59.941 60.168 -0.227 1
1 371 . 9 1 1 A 38 38 TYR CB C 38 38.516 38.103 0.413 1
1 376 . 9 1 1 A 38 38 TYR N N 38 112.257 118.801 -6.544 1
1 377 . 9 1 1 A 39 39 HIS H H 39 7.679 7.719 -0.040 1
1 378 . 9 1 1 A 39 39 HIS HA H 39 4.943 4.431 0.512 1
1 383 . 9 1 1 A 39 39 HIS C C 39 173.845 174.910 -1.065 1
1 384 . 9 1 1 A 39 39 HIS CA C 39 54.045 58.342 -4.297 1
1 385 . 9 1 1 A 39 39 HIS CB C 39 29.490 28.984 0.506 1
1 388 . 9 1 1 A 39 39 HIS N N 39 114.679 116.661 -1.982 1
1 389 . 9 1 1 A 40 40 ASP H H 40 7.317 7.832 -0.515 1
1 390 . 9 1 1 A 40 40 ASP HA H 40 4.800 4.959 -0.159 1
1 393 . 9 1 1 A 40 40 ASP C C 40 175.035 175.178 -0.143 1
1 394 . 9 1 1 A 40 40 ASP CA C 40 51.697 50.601 1.096 1
1 395 . 9 1 1 A 40 40 ASP CB C 40 42.630 43.526 -0.896 1
1 396 . 9 1 1 A 40 40 ASP N N 40 119.125 117.450 1.675 1
1 397 . 9 1 1 A 41 41 PRO HA H 41 4.552 4.392 0.160 1
1 404 . 9 1 1 A 41 41 PRO C C 41 177.331 177.817 -0.486 1
1 405 . 9 1 1 A 41 41 PRO CA C 41 64.019 64.104 -0.085 1
1 406 . 9 1 1 A 41 41 PRO CB C 41 32.235 31.832 0.403 1
1 409 . 9 1 1 A 42 42 ASN H H 42 8.484 8.792 -0.308 1
1 410 . 9 1 1 A 42 42 ASN HA H 42 4.703 4.523 0.180 1
1 415 . 9 1 1 A 42 42 ASN C C 42 174.879 176.622 -1.743 1
1 416 . 9 1 1 A 42 42 ASN CA C 42 53.371 56.433 -3.062 1
1 417 . 9 1 1 A 42 42 ASN CB C 42 39.009 38.344 0.665 1
1 418 . 9 1 1 A 42 42 ASN N N 42 116.107 117.336 -1.229 1
1 420 . 9 1 1 A 43 43 PHE H H 43 7.741 7.781 -0.040 1
1 421 . 9 1 1 A 43 43 PHE HA H 43 4.448 4.498 -0.050 1
1 429 . 9 1 1 A 43 43 PHE CA C 43 58.640 59.630 -0.990 1
1 430 . 9 1 1 A 43 43 PHE CB C 43 40.203 39.455 0.748 1
1 436 . 9 1 1 A 43 43 PHE N N 43 121.284 118.743 2.541 1
1 437 . 9 1 1 A 44 44 VAL H H 44 7.718 8.305 -0.587 1
1 438 . 9 1 1 A 44 44 VAL HA H 44 4.221 4.841 -0.620 1
1 446 . 9 1 1 A 44 44 VAL C C 44 173.190 173.612 -0.422 1
1 447 . 9 1 1 A 44 44 VAL CA C 44 59.177 58.333 0.844 1
1 448 . 9 1 1 A 44 44 VAL CB C 44 33.260 34.653 -1.393 1
1 451 . 9 1 1 A 44 44 VAL N N 44 126.832 126.814 0.018 1
1 452 . 9 1 1 A 45 45 PRO HA H 45 4.114 4.701 -0.587 1
1 459 . 9 1 1 A 45 45 PRO C C 45 176.031 177.383 -1.352 1
1 460 . 9 1 1 A 45 45 PRO CA C 45 62.732 62.368 0.364 1
1 461 . 9 1 1 A 45 45 PRO CB C 45 32.197 32.717 -0.520 1
1 464 . 9 1 1 A 46 46 ALA H H 46 8.199 8.411 -0.212 1
1 465 . 9 1 1 A 46 46 ALA HA H 46 4.161 4.547 -0.386 1
1 469 . 9 1 1 A 46 46 ALA C C 46 176.631 176.725 -0.094 1
1 470 . 9 1 1 A 46 46 ALA CA C 46 52.105 52.352 -0.247 1
1 471 . 9 1 1 A 46 46 ALA CB C 46 19.315 19.354 -0.039 1
1 472 . 9 1 1 A 46 46 ALA N N 46 124.122 125.736 -1.614 1
1 473 . 9 1 1 A 47 47 ALA H H 47 7.755 8.840 -1.085 1
1 474 . 9 1 1 A 47 47 ALA HA H 47 4.218 5.149 -0.931 1
1 478 . 9 1 1 A 47 47 ALA C C 47 176.322 176.064 0.258 1
1 479 . 9 1 1 A 47 47 ALA CA C 47 52.140 50.358 1.782 1
1 480 . 9 1 1 A 47 47 ALA CB C 47 20.283 19.744 0.539 1
1 481 . 9 1 1 A 47 47 ALA N N 47 121.689 127.147 -5.458 1
1 482 . 9 1 1 A 48 48 PHE H H 48 8.323 9.177 -0.854 1
1 483 . 9 1 1 A 48 48 PHE HA H 48 4.782 5.028 -0.246 1
1 491 . 9 1 1 A 48 48 PHE C C 48 174.258 174.912 -0.654 1
1 492 . 9 1 1 A 48 48 PHE CA C 48 57.108 56.832 0.276 1
1 493 . 9 1 1 A 48 48 PHE CB C 48 40.615 43.271 -2.656 1
1 499 . 9 1 1 A 48 48 PHE N N 48 118.583 121.724 -3.141 1
1 500 . 9 1 1 A 49 49 VAL H H 49 8.584 9.258 -0.674 1
1 501 . 9 1 1 A 49 49 VAL HA H 49 4.829 5.234 -0.405 1
1 509 . 9 1 1 A 49 49 VAL C C 49 175.667 175.069 0.598 1
1 510 . 9 1 1 A 49 49 VAL CA C 49 60.508 60.348 0.160 1
1 511 . 9 1 1 A 49 49 VAL CB C 49 35.158 35.342 -0.184 1
1 514 . 9 1 1 A 49 49 VAL N N 49 123.555 120.732 2.823 1
1 515 . 9 1 1 A 50 50 CYS H H 50 9.170 9.415 -0.245 1
1 516 . 9 1 1 A 50 50 CYS HA H 50 4.593 4.643 -0.050 1
1 519 . 9 1 1 A 50 50 CYS C C 50 177.661 175.885 1.776 1
1 520 . 9 1 1 A 50 50 CYS CA C 50 59.909 60.009 -0.100 1
1 521 . 9 1 1 A 50 50 CYS CB C 50 30.835 28.663 2.172 1
1 522 . 9 1 1 A 50 50 CYS N N 50 128.866 127.207 1.659 1
1 523 . 9 1 1 A 51 51 SER H H 51 9.205 8.924 0.281 1
1 524 . 9 1 1 A 51 51 SER HA H 51 4.271 4.636 -0.365 1
1 527 . 9 1 1 A 51 51 SER C C 51 174.401 175.027 -0.626 1
1 528 . 9 1 1 A 51 51 SER CA C 51 60.890 58.786 2.104 1
1 529 . 9 1 1 A 51 51 SER CB C 51 63.231 64.010 -0.779 1
1 530 . 9 1 1 A 51 51 SER N N 51 128.162 121.904 6.258 1
1 531 . 9 1 1 A 52 52 LYS H H 52 9.118 7.230 1.888 1
1 532 . 9 1 1 A 52 52 LYS HA H 52 4.421 4.330 0.091 1
1 541 . 9 1 1 A 52 52 LYS C C 52 177.831 178.122 -0.291 1
1 542 . 9 1 1 A 52 52 LYS CA C 52 58.535 57.942 0.593 1
1 543 . 9 1 1 A 52 52 LYS CB C 52 34.152 33.474 0.678 1
1 547 . 9 1 1 A 52 52 LYS N N 52 123.970 119.515 4.455 1
1 548 . 9 1 1 A 53 53 CYS H H 53 8.241 8.178 0.063 1
1 549 . 9 1 1 A 53 53 CYS HA H 53 4.999 4.685 0.314 1
1 552 . 9 1 1 A 53 53 CYS C C 53 176.529 175.587 0.942 1
1 553 . 9 1 1 A 53 53 CYS CA C 53 58.587 59.546 -0.959 1
1 554 . 9 1 1 A 53 53 CYS CB C 53 33.353 30.038 3.315 1
1 555 . 9 1 1 A 53 53 CYS N N 53 115.684 114.541 1.143 1
1 556 . 9 1 1 A 54 54 GLY H H 54 8.290 8.303 -0.013 1
1 557 . 9 1 1 A 54 54 GLY HA2 H 54 4.226 4.079 0.147 1
1 558 . 9 1 1 A 54 54 GLY HA3 H 54 3.733 4.099 -0.366 1
1 559 . 9 1 1 A 54 54 GLY C C 54 173.761 174.458 -0.697 1
1 560 . 9 1 1 A 54 54 GLY CA C 54 46.147 45.481 0.666 1
1 561 . 9 1 1 A 54 54 GLY N N 54 113.723 110.498 3.225 1
1 562 . 9 1 1 A 55 55 LYS H H 55 8.598 7.451 1.147 1
1 563 . 9 1 1 A 55 55 LYS HA H 55 4.074 4.618 -0.544 1
1 572 . 9 1 1 A 55 55 LYS C C 55 174.748 176.230 -1.482 1
1 573 . 9 1 1 A 55 55 LYS CA C 55 58.270 54.862 3.408 1
1 574 . 9 1 1 A 55 55 LYS CB C 55 33.778 34.017 -0.239 1
1 578 . 9 1 1 A 55 55 LYS N N 55 124.175 119.267 4.908 1
1 579 . 9 1 1 A 56 56 THR H H 56 7.708 8.433 -0.725 1
1 580 . 9 1 1 A 56 56 THR HA H 56 5.028 5.165 -0.137 1
1 585 . 9 1 1 A 56 56 THR C C 56 173.673 173.731 -0.058 1
1 586 . 9 1 1 A 56 56 THR CA C 56 60.779 60.330 0.449 1
1 587 . 9 1 1 A 56 56 THR CB C 56 70.823 70.491 0.332 1
1 589 . 9 1 1 A 56 56 THR N N 56 113.091 112.354 0.737 1
1 590 . 9 1 1 A 57 57 PHE H H 57 8.944 9.420 -0.476 1
1 591 . 9 1 1 A 57 57 PHE HA H 57 4.850 5.008 -0.158 1
1 599 . 9 1 1 A 57 57 PHE C C 57 175.764 175.763 0.001 1
1 600 . 9 1 1 A 57 57 PHE CA C 57 56.949 56.699 0.250 1
1 601 . 9 1 1 A 57 57 PHE CB C 57 43.729 42.788 0.941 1
1 607 . 9 1 1 A 57 57 PHE N N 57 119.958 119.887 0.071 1
1 608 . 9 1 1 A 58 58 THR HA H 58 4.629 4.943 -0.314 1
1 613 . 9 1 1 A 58 58 THR CA C 58 62.738 61.982 0.756 1
1 614 . 9 1 1 A 58 58 THR CB C 58 69.810 68.533 1.277 1
1 616 . 9 1 1 A 59 59 ARG H H 59 7.422 7.741 -0.319 1
1 617 . 9 1 1 A 59 59 ARG HA H 59 4.740 4.602 0.138 1
1 624 . 9 1 1 A 59 59 ARG CA C 59 54.724 54.451 0.273 1
1 625 . 9 1 1 A 59 59 ARG CB C 59 33.659 32.372 1.287 1
1 628 . 9 1 1 A 59 59 ARG N N 59 118.359 120.871 -2.512 1
1 629 . 9 1 1 A 60 60 ARG HA H 60 2.949 3.000 -0.051 1
1 636 . 9 1 1 A 60 60 ARG CA C 60 59.468 59.251 0.217 1
1 637 . 9 1 1 A 60 60 ARG CB C 60 29.732 29.093 0.639 1
1 640 . 9 1 1 A 61 61 ASN HA H 61 4.332 4.351 -0.019 1
1 645 . 9 1 1 A 61 61 ASN C C 61 177.497 177.787 -0.290 1
1 646 . 9 1 1 A 61 61 ASN CA C 61 56.212 56.520 -0.308 1
1 647 . 9 1 1 A 61 61 ASN CB C 61 37.142 39.157 -2.015 1
1 649 . 9 1 1 A 62 62 THR H H 62 7.076 8.232 -1.156 1
1 650 . 9 1 1 A 62 62 THR HA H 62 3.893 3.868 0.025 1
1 655 . 9 1 1 A 62 62 THR C C 62 176.684 175.499 1.185 1
1 656 . 9 1 1 A 62 62 THR CA C 62 65.025 67.331 -2.306 1
1 657 . 9 1 1 A 62 62 THR CB C 62 68.112 67.663 0.449 1
1 659 . 9 1 1 A 62 62 THR N N 62 115.050 116.012 -0.962 1
1 660 . 9 1 1 A 63 63 MET H H 63 7.149 8.357 -1.208 1
1 661 . 9 1 1 A 63 63 MET HA H 63 2.545 3.311 -0.766 1
1 669 . 9 1 1 A 63 63 MET C C 63 176.978 177.679 -0.701 1
1 670 . 9 1 1 A 63 63 MET CA C 63 58.791 57.971 0.820 1
1 671 . 9 1 1 A 63 63 MET CB C 63 31.556 31.933 -0.377 1
1 674 . 9 1 1 A 63 63 MET N N 63 122.700 119.888 2.812 1
1 675 . 9 1 1 A 64 64 ALA H H 64 8.383 8.379 0.004 1
1 676 . 9 1 1 A 64 64 ALA HA H 64 3.944 3.936 0.008 1
1 680 . 9 1 1 A 64 64 ALA C C 64 179.879 179.940 -0.061 1
1 681 . 9 1 1 A 64 64 ALA CA C 64 55.324 55.249 0.075 1
1 682 . 9 1 1 A 64 64 ALA CB C 64 18.033 18.367 -0.334 1
1 683 . 9 1 1 A 64 64 ALA N N 64 122.001 121.491 0.510 1
1 684 . 9 1 1 A 65 65 ARG H H 65 7.574 7.834 -0.260 1
1 685 . 9 1 1 A 65 65 ARG HA H 65 4.139 3.945 0.194 1
1 692 . 9 1 1 A 65 65 ARG C C 65 178.946 178.634 0.312 1
1 693 . 9 1 1 A 65 65 ARG CA C 65 58.182 59.312 -1.130 1
1 694 . 9 1 1 A 65 65 ARG CB C 65 30.153 29.964 0.189 1
1 697 . 9 1 1 A 65 65 ARG N N 65 116.551 117.364 -0.813 1
1 698 . 9 1 1 A 66 66 HIS H H 66 7.455 8.283 -0.828 1
1 699 . 9 1 1 A 66 66 HIS HA H 66 4.271 4.222 0.049 1
1 704 . 9 1 1 A 66 66 HIS C C 66 177.633 176.880 0.753 1
1 705 . 9 1 1 A 66 66 HIS CA C 66 59.046 59.635 -0.589 1
1 706 . 9 1 1 A 66 66 HIS CB C 66 27.820 29.446 -1.626 1
1 709 . 9 1 1 A 66 66 HIS N N 66 118.483 119.604 -1.121 1
1 710 . 9 1 1 A 67 67 ALA H H 67 8.869 8.126 0.743 1
1 711 . 9 1 1 A 67 67 ALA HA H 67 3.968 3.602 0.366 1
1 715 . 9 1 1 A 67 67 ALA C C 67 179.374 178.728 0.646 1
1 716 . 9 1 1 A 67 67 ALA CA C 67 55.186 55.018 0.168 1
1 717 . 9 1 1 A 67 67 ALA CB C 67 18.851 18.192 0.659 1
1 718 . 9 1 1 A 67 67 ALA N N 67 122.114 120.591 1.523 1
1 719 . 9 1 1 A 68 68 ASP H H 68 7.476 8.155 -0.679 1
1 720 . 9 1 1 A 68 68 ASP HA H 68 4.401 4.271 0.130 1
1 723 . 9 1 1 A 68 68 ASP C C 68 176.580 177.962 -1.382 1
1 724 . 9 1 1 A 68 68 ASP CA C 68 56.772 57.638 -0.866 1
1 725 . 9 1 1 A 68 68 ASP CB C 68 40.945 41.658 -0.713 1
1 726 . 9 1 1 A 68 68 ASP N N 68 116.466 118.121 -1.655 1
1 727 . 9 1 1 A 69 69 ASN H H 69 7.227 7.342 -0.115 1
1 728 . 9 1 1 A 69 69 ASN HA H 69 4.905 4.745 0.160 1
1 733 . 9 1 1 A 69 69 ASN C C 69 173.603 174.820 -1.217 1
1 734 . 9 1 1 A 69 69 ASN CA C 69 52.518 53.813 -1.295 1
1 735 . 9 1 1 A 69 69 ASN CB C 69 40.657 38.765 1.892 1
1 736 . 9 1 1 A 69 69 ASN N N 69 114.158 114.641 -0.483 1
1 738 . 9 1 1 A 70 70 CYS H H 70 7.201 7.209 -0.008 1
1 739 . 9 1 1 A 70 70 CYS HA H 70 3.902 4.267 -0.365 1
1 742 . 9 1 1 A 70 70 CYS C C 70 175.424 174.193 1.231 1
1 743 . 9 1 1 A 70 70 CYS CA C 70 61.195 58.852 2.343 1
1 744 . 9 1 1 A 70 70 CYS CB C 70 29.288 28.662 0.626 1
1 745 . 9 1 1 A 70 70 CYS N N 70 124.154 120.255 3.899 1
1 746 . 9 1 1 A 71 71 ALA H H 71 8.783 8.856 -0.073 1
1 747 . 9 1 1 A 71 71 ALA HA H 71 4.562 4.467 0.095 1
1 751 . 9 1 1 A 71 71 ALA C C 71 177.513 176.842 0.671 1
1 752 . 9 1 1 A 71 71 ALA CA C 71 51.926 52.472 -0.546 1
1 753 . 9 1 1 A 71 71 ALA CB C 71 19.698 21.067 -1.369 1
1 754 . 9 1 1 A 71 71 ALA N N 71 131.493 124.915 6.578 1
1 755 . 9 1 1 A 72 72 GLY H H 72 8.645 7.334 1.311 1
1 756 . 9 1 1 A 72 72 GLY HA2 H 72 4.469 4.094 0.375 1
1 757 . 9 1 1 A 72 72 GLY HA3 H 72 3.628 4.100 -0.472 1
1 758 . 9 1 1 A 72 72 GLY C C 72 171.320 171.765 -0.445 1
1 759 . 9 1 1 A 72 72 GLY CA C 72 44.286 44.529 -0.243 1
1 760 . 9 1 1 A 72 72 GLY N N 72 110.083 102.600 7.483 1
1 761 . 9 1 1 A 73 73 PRO HA H 73 4.470 4.833 -0.363 1
1 768 . 9 1 1 A 73 73 PRO C C 73 176.905 175.910 0.995 1
1 769 . 9 1 1 A 73 73 PRO CA C 73 63.706 62.680 1.026 1
1 770 . 9 1 1 A 73 73 PRO CB C 73 32.344 31.904 0.440 1
1 773 . 9 1 1 A 74 74 ASP H H 74 8.506 9.032 -0.526 1
1 774 . 9 1 1 A 74 74 ASP HA H 74 4.659 4.812 -0.153 1
1 777 . 9 1 1 A 74 74 ASP C C 74 176.869 175.609 1.260 1
1 778 . 9 1 1 A 74 74 ASP CA C 74 54.617 55.454 -0.837 1
1 779 . 9 1 1 A 74 74 ASP CB C 74 41.335 43.776 -2.441 1
1 780 . 9 1 1 A 74 74 ASP N N 74 120.155 122.207 -2.052 1
1 781 . 9 1 1 A 75 75 GLY H H 75 8.257 7.559 0.698 1
1 782 . 9 1 1 A 75 75 GLY HA2 H 75 4.072 4.094 -0.022 1
1 783 . 9 1 1 A 75 75 GLY HA3 H 75 3.965 4.095 -0.130 1
1 784 . 9 1 1 A 75 75 GLY C C 75 174.256 172.693 1.563 1
1 785 . 9 1 1 A 75 75 GLY CA C 75 45.653 45.322 0.331 1
1 786 . 9 1 1 A 75 75 GLY N N 75 108.913 105.200 3.713 1
1 787 . 9 1 1 A 76 76 VAL H H 76 8.079 8.755 -0.676 1
1 788 . 9 1 1 A 76 76 VAL HA H 76 4.169 4.155 0.014 1
1 796 . 9 1 1 A 76 76 VAL C C 76 176.347 176.202 0.145 1
1 797 . 9 1 1 A 76 76 VAL CA C 76 62.295 62.350 -0.055 1
1 798 . 9 1 1 A 76 76 VAL CB C 76 32.871 32.525 0.346 1
1 801 . 9 1 1 A 76 76 VAL N N 76 119.508 123.598 -4.090 1
1 802 . 9 1 1 A 77 77 GLU H H 77 8.619 8.715 -0.096 1
1 803 . 9 1 1 A 77 77 GLU HA H 77 4.310 4.297 0.013 1
1 808 . 9 1 1 A 77 77 GLU C C 77 177.046 177.225 -0.179 1
1 809 . 9 1 1 A 77 77 GLU CA C 77 56.966 57.802 -0.836 1
1 810 . 9 1 1 A 77 77 GLU CB C 77 30.318 30.674 -0.356 1
1 812 . 9 1 1 A 77 77 GLU N N 77 125.001 125.470 -0.469 1
1 813 . 9 1 1 A 78 78 GLY H H 78 8.446 7.711 0.735 1
1 814 . 9 1 1 A 78 78 GLY HA2 H 78 3.987 4.008 -0.021 1
1 815 . 9 1 1 A 78 78 GLY HA3 H 78 3.987 4.015 -0.028 1
1 816 . 9 1 1 A 78 78 GLY C C 78 174.238 172.829 1.409 1
1 817 . 9 1 1 A 78 78 GLY CA C 78 45.283 45.038 0.245 1
1 818 . 9 1 1 A 78 78 GLY N N 78 110.357 108.438 1.919 1
1 819 . 9 1 1 A 79 79 GLU H H 79 8.313 8.988 -0.675 1
1 820 . 9 1 1 A 79 79 GLU HA H 79 4.309 5.116 -0.807 1
1 825 . 9 1 1 A 79 79 GLU C C 79 176.509 174.272 2.237 1
1 826 . 9 1 1 A 79 79 GLU CA C 79 56.755 54.324 2.431 1
1 827 . 9 1 1 A 79 79 GLU CB C 79 30.317 34.089 -3.772 1
1 829 . 9 1 1 A 79 79 GLU N N 79 120.638 117.695 2.943 1
1 830 . 9 1 1 A 80 80 ASN H H 80 8.588 8.876 -0.288 1
1 831 . 9 1 1 A 80 80 ASN HA H 80 4.801 5.304 -0.503 1
1 834 . 9 1 1 A 80 80 ASN C C 80 175.202 175.266 -0.064 1
1 835 . 9 1 1 A 80 80 ASN CA C 80 53.336 52.224 1.112 1
1 836 . 9 1 1 A 80 80 ASN CB C 80 39.051 40.544 -1.493 1
1 837 . 9 1 1 A 80 80 ASN N N 80 119.808 119.086 0.722 1
1 838 . 9 1 1 A 81 81 SER H H 81 8.322 8.787 -0.465 1
1 839 . 9 1 1 A 81 81 SER HA H 81 4.517 4.400 0.117 1
1 842 . 9 1 1 A 81 81 SER C C 81 174.643 174.096 0.547 1
1 843 . 9 1 1 A 81 81 SER CA C 81 58.499 58.480 0.019 1
1 844 . 9 1 1 A 81 81 SER CB C 81 64.056 63.719 0.337 1
1 845 . 9 1 1 A 81 81 SER N N 81 116.318 120.433 -4.115 1
1 846 . 9 1 1 A 82 82 GLY H H 82 8.303 8.250 0.053 1
1 847 . 9 1 1 A 82 82 GLY HA2 H 82 4.170 4.173 -0.003 1
1 848 . 9 1 1 A 82 82 GLY HA3 H 82 4.125 4.174 -0.049 1
1 849 . 9 1 1 A 82 82 GLY C C 82 171.855 172.099 -0.244 1
1 850 . 9 1 1 A 82 82 GLY CA C 82 44.719 46.195 -1.476 1
1 851 . 9 1 1 A 82 82 GLY N N 82 110.706 108.844 1.862 1
1 852 . 9 1 1 A 83 83 PRO HA H 83 4.498 4.665 -0.167 1
1 859 . 9 1 1 A 83 83 PRO C C 83 177.459 175.377 2.082 1
1 860 . 9 1 1 A 83 83 PRO CA C 83 63.274 62.892 0.382 1
1 861 . 9 1 1 A 83 83 PRO CB C 83 32.254 31.651 0.603 1
1 864 . 9 1 1 A 84 84 SER H H 84 8.541 8.638 -0.097 1
1 865 . 9 1 1 A 84 84 SER HA H 84 4.508 5.028 -0.520 1
1 868 . 9 1 1 A 84 84 SER C C 84 174.744 172.477 2.267 1
1 869 . 9 1 1 A 84 84 SER CA C 84 58.412 56.769 1.643 1
1 870 . 9 1 1 A 84 84 SER CB C 84 64.056 65.457 -1.401 1
1 871 . 9 1 1 A 84 84 SER N N 84 116.449 118.839 -2.390 1
1 872 . 9 1 1 A 85 85 SER H H 85 8.353 8.842 -0.489 1
1 873 . 9 1 1 A 85 85 SER HA H 85 4.517 5.162 -0.645 1
1 876 . 9 1 1 A 85 85 SER C C 85 173.953 175.028 -1.075 1
1 877 . 9 1 1 A 85 85 SER CA C 85 58.492 56.065 2.427 1
1 878 . 9 1 1 A 85 85 SER CB C 85 64.138 65.571 -1.433 1
1 879 . 9 1 1 A 85 85 SER N N 85 117.940 120.679 -2.739 1
1 1 . 10 1 1 A 8 8 ARG HA H 8 4.432 5.043 -0.611 1
1 7 . 10 1 1 A 8 8 ARG CA C 8 56.069 55.130 0.939 1
1 8 . 10 1 1 A 8 8 ARG CB C 8 30.974 31.249 -0.275 1
1 14 . 10 1 1 A 9 9 THR CB C 9 69.816 70.090 -0.274 1
1 16 . 10 1 1 A 10 10 HIS HA H 10 4.730 4.667 0.063 1
1 21 . 10 1 1 A 10 10 HIS CA C 10 56.345 56.767 -0.422 1
1 22 . 10 1 1 A 10 10 HIS CB C 10 31.058 30.837 0.221 1
1 28 . 10 1 1 A 11 11 THR CB C 11 69.816 70.245 -0.429 1
1 30 . 10 1 1 A 12 12 GLY HA2 H 12 3.978 4.170 -0.192 1
1 31 . 10 1 1 A 12 12 GLY HA3 H 12 3.978 4.174 -0.196 1
1 32 . 10 1 1 A 12 12 GLY CA C 12 45.442 45.928 -0.486 1
1 33 . 10 1 1 A 13 13 GLU H H 13 8.243 9.107 -0.864 1
1 34 . 10 1 1 A 13 13 GLU HA H 13 4.235 3.964 0.271 1
1 39 . 10 1 1 A 13 13 GLU CA C 13 56.898 57.257 -0.359 1
1 40 . 10 1 1 A 13 13 GLU CB C 13 30.495 28.258 2.237 1
1 42 . 10 1 1 A 13 13 GLU N N 13 120.364 119.834 0.530 1
1 43 . 10 1 1 A 14 14 LYS H H 14 8.276 8.006 0.270 1
1 44 . 10 1 1 A 14 14 LYS HA H 14 4.528 4.373 0.155 1
1 53 . 10 1 1 A 14 14 LYS CA C 14 54.009 55.025 -1.016 1
1 54 . 10 1 1 A 14 14 LYS CB C 14 32.667 32.877 -0.210 1
1 58 . 10 1 1 A 14 14 LYS N N 14 121.981 120.013 1.968 1
1 59 . 10 1 1 A 15 15 PRO HA H 15 4.347 4.342 0.005 1
1 66 . 10 1 1 A 15 15 PRO CA C 15 63.237 64.995 -1.758 1
1 67 . 10 1 1 A 15 15 PRO CB C 15 32.365 31.786 0.579 1
1 70 . 10 1 1 A 16 16 TYR H H 16 8.234 7.598 0.636 1
1 71 . 10 1 1 A 16 16 TYR HA H 16 4.508 4.707 -0.199 1
1 78 . 10 1 1 A 16 16 TYR C C 16 174.453 175.133 -0.680 1
1 79 . 10 1 1 A 16 16 TYR CA C 16 58.076 57.466 0.610 1
1 80 . 10 1 1 A 16 16 TYR CB C 16 38.346 38.268 0.078 1
1 85 . 10 1 1 A 16 16 TYR N N 16 118.751 117.912 0.839 1
1 86 . 10 1 1 A 17 17 ALA H H 17 8.567 9.040 -0.473 1
1 87 . 10 1 1 A 17 17 ALA HA H 17 4.754 5.311 -0.557 1
1 91 . 10 1 1 A 17 17 ALA C C 17 176.249 176.559 -0.310 1
1 92 . 10 1 1 A 17 17 ALA CA C 17 51.274 50.481 0.793 1
1 93 . 10 1 1 A 17 17 ALA CB C 17 20.625 21.438 -0.813 1
1 94 . 10 1 1 A 17 17 ALA N N 17 127.897 127.778 0.119 1
1 95 . 10 1 1 A 18 18 CYS H H 18 8.464 9.252 -0.788 1
1 96 . 10 1 1 A 18 18 CYS HA H 18 4.538 4.647 -0.109 1
1 99 . 10 1 1 A 18 18 CYS C C 18 175.739 176.444 -0.705 1
1 100 . 10 1 1 A 18 18 CYS CA C 18 60.966 60.012 0.954 1
1 101 . 10 1 1 A 18 18 CYS CB C 18 29.435 28.748 0.687 1
1 102 . 10 1 1 A 18 18 CYS N N 18 125.366 123.393 1.973 1
1 103 . 10 1 1 A 19 19 SER H H 19 8.439 9.008 -0.569 1
1 104 . 10 1 1 A 19 19 SER HA H 19 4.426 4.419 0.007 1
1 107 . 10 1 1 A 19 19 SER C C 19 175.890 176.811 -0.921 1
1 108 . 10 1 1 A 19 19 SER CA C 19 60.085 60.099 -0.014 1
1 109 . 10 1 1 A 19 19 SER CB C 19 64.097 63.978 0.119 1
1 110 . 10 1 1 A 19 19 SER N N 19 121.912 120.989 0.923 1
1 111 . 10 1 1 A 20 20 HIS H H 20 9.949 8.202 1.747 1
1 112 . 10 1 1 A 20 20 HIS HA H 20 4.579 4.359 0.220 1
1 117 . 10 1 1 A 20 20 HIS C C 20 174.670 175.569 -0.899 1
1 118 . 10 1 1 A 20 20 HIS CA C 20 57.354 58.668 -1.314 1
1 119 . 10 1 1 A 20 20 HIS CB C 20 30.787 29.806 0.981 1
1 122 . 10 1 1 A 20 20 HIS N N 20 126.154 119.083 7.071 1
1 123 . 10 1 1 A 21 21 CYS H H 21 7.972 7.995 -0.023 1
1 124 . 10 1 1 A 21 21 CYS HA H 21 4.947 4.927 0.020 1
1 127 . 10 1 1 A 21 21 CYS C C 21 172.879 173.315 -0.436 1
1 128 . 10 1 1 A 21 21 CYS CA C 21 58.891 56.799 2.092 1
1 129 . 10 1 1 A 21 21 CYS CB C 21 29.766 30.979 -1.213 1
1 130 . 10 1 1 A 21 21 CYS N N 21 119.638 114.557 5.081 1
1 131 . 10 1 1 A 22 22 ASP H H 22 8.167 8.685 -0.518 1
1 132 . 10 1 1 A 22 22 ASP HA H 22 4.668 4.820 -0.152 1
1 135 . 10 1 1 A 22 22 ASP C C 22 176.857 174.747 2.110 1
1 136 . 10 1 1 A 22 22 ASP CA C 22 54.587 53.035 1.552 1
1 137 . 10 1 1 A 22 22 ASP CB C 22 40.758 39.757 1.001 1
1 138 . 10 1 1 A 22 22 ASP N N 22 115.180 122.472 -7.292 1
1 139 . 10 1 1 A 23 23 LYS H H 23 8.407 7.646 0.761 1
1 140 . 10 1 1 A 23 23 LYS HA H 23 4.085 4.693 -0.608 1
1 148 . 10 1 1 A 23 23 LYS C C 23 175.732 175.731 0.001 1
1 149 . 10 1 1 A 23 23 LYS CA C 23 57.537 54.598 2.939 1
1 150 . 10 1 1 A 23 23 LYS CB C 23 33.593 35.211 -1.618 1
1 154 . 10 1 1 A 23 23 LYS N N 23 122.302 121.932 0.370 1
1 155 . 10 1 1 A 24 24 THR H H 24 7.462 8.409 -0.947 1
1 156 . 10 1 1 A 24 24 THR HA H 24 5.018 5.571 -0.553 1
1 161 . 10 1 1 A 24 24 THR C C 24 173.047 172.811 0.236 1
1 162 . 10 1 1 A 24 24 THR CA C 24 59.500 58.805 0.695 1
1 163 . 10 1 1 A 24 24 THR CB C 24 71.795 72.187 -0.392 1
1 165 . 10 1 1 A 24 24 THR N N 24 110.405 112.380 -1.975 1
1 166 . 10 1 1 A 25 25 PHE H H 25 8.750 8.805 -0.055 1
1 167 . 10 1 1 A 25 25 PHE HA H 25 4.886 4.929 -0.043 1
1 175 . 10 1 1 A 25 25 PHE C C 25 175.982 175.708 0.274 1
1 176 . 10 1 1 A 25 25 PHE CA C 25 57.301 56.480 0.821 1
1 177 . 10 1 1 A 25 25 PHE CB C 25 44.782 43.324 1.458 1
1 183 . 10 1 1 A 25 25 PHE N N 25 116.161 117.623 -1.462 1
1 184 . 10 1 1 A 26 26 ARG HA H 26 4.550 4.340 0.210 1
1 191 . 10 1 1 A 26 26 ARG C C 26 175.820 176.246 -0.426 1
1 192 . 10 1 1 A 26 26 ARG CA C 26 57.830 58.968 -1.138 1
1 193 . 10 1 1 A 26 26 ARG CB C 26 31.465 30.317 1.148 1
1 196 . 10 1 1 A 27 27 GLN H H 27 7.052 7.955 -0.903 1
1 197 . 10 1 1 A 27 27 GLN HA H 27 4.820 4.419 0.401 1
1 204 . 10 1 1 A 27 27 GLN C C 27 175.929 175.371 0.558 1
1 205 . 10 1 1 A 27 27 GLN CA C 27 53.971 54.111 -0.140 1
1 206 . 10 1 1 A 27 27 GLN CB C 27 32.968 31.096 1.872 1
1 208 . 10 1 1 A 27 27 GLN N N 27 111.833 118.385 -6.552 1
1 210 . 10 1 1 A 28 28 LYS H H 28 8.616 8.256 0.360 1
1 211 . 10 1 1 A 28 28 LYS HA H 28 3.013 3.258 -0.245 1
1 220 . 10 1 1 A 28 28 LYS C C 28 177.891 177.738 0.153 1
1 221 . 10 1 1 A 28 28 LYS CA C 28 59.351 59.709 -0.358 1
1 222 . 10 1 1 A 28 28 LYS CB C 28 31.901 31.839 0.062 1
1 226 . 10 1 1 A 28 28 LYS N N 28 127.969 123.793 4.176 1
1 227 . 10 1 1 A 29 29 GLN H H 29 9.039 7.796 1.243 1
1 228 . 10 1 1 A 29 29 GLN HA H 29 4.110 3.936 0.174 1
1 235 . 10 1 1 A 29 29 GLN C C 29 178.275 178.368 -0.093 1
1 236 . 10 1 1 A 29 29 GLN CA C 29 59.073 58.516 0.557 1
1 237 . 10 1 1 A 29 29 GLN CB C 29 27.673 28.351 -0.678 1
1 239 . 10 1 1 A 29 29 GLN N N 29 116.426 118.638 -2.212 1
1 241 . 10 1 1 A 30 30 LEU H H 30 6.687 7.747 -1.060 1
1 242 . 10 1 1 A 30 30 LEU HA H 30 4.105 3.836 0.269 1
1 252 . 10 1 1 A 30 30 LEU C C 30 179.455 178.698 0.757 1
1 253 . 10 1 1 A 30 30 LEU CA C 30 56.878 57.656 -0.778 1
1 254 . 10 1 1 A 30 30 LEU CB C 30 41.552 41.588 -0.036 1
1 258 . 10 1 1 A 30 30 LEU N N 30 116.469 119.693 -3.224 1
1 259 . 10 1 1 A 31 31 LEU H H 31 6.875 7.461 -0.586 1
1 260 . 10 1 1 A 31 31 LEU HA H 31 3.174 2.625 0.549 1
1 270 . 10 1 1 A 31 31 LEU C C 31 177.599 177.702 -0.103 1
1 271 . 10 1 1 A 31 31 LEU CA C 31 57.829 56.780 1.049 1
1 272 . 10 1 1 A 31 31 LEU CB C 31 39.945 41.008 -1.063 1
1 276 . 10 1 1 A 31 31 LEU N N 31 122.863 119.267 3.596 1
1 277 . 10 1 1 A 32 32 ASP H H 32 8.429 7.886 0.543 1
1 278 . 10 1 1 A 32 32 ASP HA H 32 4.356 4.274 0.082 1
1 281 . 10 1 1 A 32 32 ASP C C 32 179.142 178.136 1.006 1
1 282 . 10 1 1 A 32 32 ASP CA C 32 57.830 56.951 0.879 1
1 283 . 10 1 1 A 32 32 ASP CB C 32 39.978 41.130 -1.152 1
1 284 . 10 1 1 A 32 32 ASP N N 32 120.350 118.878 1.472 1
1 285 . 10 1 1 A 33 33 MET H H 33 7.738 8.192 -0.454 1
1 286 . 10 1 1 A 33 33 MET HA H 33 4.167 3.924 0.243 1
1 294 . 10 1 1 A 33 33 MET C C 33 178.463 178.030 0.433 1
1 295 . 10 1 1 A 33 33 MET CA C 33 58.454 57.711 0.743 1
1 296 . 10 1 1 A 33 33 MET CB C 33 32.924 32.082 0.842 1
1 299 . 10 1 1 A 33 33 MET N N 33 118.109 118.643 -0.534 1
1 300 . 10 1 1 A 34 34 HIS H H 34 7.632 7.594 0.038 1
1 301 . 10 1 1 A 34 34 HIS HA H 34 4.396 4.241 0.155 1
1 306 . 10 1 1 A 34 34 HIS C C 34 176.258 176.989 -0.731 1
1 307 . 10 1 1 A 34 34 HIS CA C 34 59.715 59.314 0.401 1
1 308 . 10 1 1 A 34 34 HIS CB C 34 28.594 29.904 -1.310 1
1 311 . 10 1 1 A 34 34 HIS N N 34 120.242 120.968 -0.726 1
1 312 . 10 1 1 A 35 35 PHE H H 35 9.373 8.069 1.304 1
1 313 . 10 1 1 A 35 35 PHE HA H 35 3.726 3.863 -0.137 1
1 321 . 10 1 1 A 35 35 PHE C C 35 178.043 177.378 0.665 1
1 322 . 10 1 1 A 35 35 PHE CA C 35 62.870 61.187 1.683 1
1 323 . 10 1 1 A 35 35 PHE CB C 35 39.846 39.228 0.618 1
1 329 . 10 1 1 A 35 35 PHE N N 35 121.691 120.011 1.680 1
1 330 . 10 1 1 A 36 36 LYS H H 36 7.861 7.888 -0.027 1
1 331 . 10 1 1 A 36 36 LYS HA H 36 4.139 4.442 -0.303 1
1 340 . 10 1 1 A 36 36 LYS C C 36 176.843 178.433 -1.590 1
1 341 . 10 1 1 A 36 36 LYS CA C 36 58.198 58.470 -0.272 1
1 342 . 10 1 1 A 36 36 LYS CB C 36 32.906 32.331 0.575 1
1 346 . 10 1 1 A 36 36 LYS N N 36 118.022 118.045 -0.023 1
1 347 . 10 1 1 A 37 37 ARG H H 37 7.298 7.889 -0.591 1
1 348 . 10 1 1 A 37 37 ARG HA H 37 3.717 4.243 -0.526 1
1 355 . 10 1 1 A 37 37 ARG C C 37 177.872 178.245 -0.373 1
1 356 . 10 1 1 A 37 37 ARG CA C 37 57.874 58.158 -0.284 1
1 357 . 10 1 1 A 37 37 ARG CB C 37 30.619 30.871 -0.252 1
1 360 . 10 1 1 A 37 37 ARG N N 37 114.740 120.422 -5.682 1
1 361 . 10 1 1 A 38 38 TYR H H 38 7.779 8.208 -0.429 1
1 362 . 10 1 1 A 38 38 TYR HA H 38 4.146 4.159 -0.013 1
1 369 . 10 1 1 A 38 38 TYR C C 38 176.160 178.565 -2.405 1
1 370 . 10 1 1 A 38 38 TYR CA C 38 59.941 60.137 -0.196 1
1 371 . 10 1 1 A 38 38 TYR CB C 38 38.516 38.184 0.332 1
1 376 . 10 1 1 A 38 38 TYR N N 38 112.257 118.841 -6.584 1
1 377 . 10 1 1 A 39 39 HIS H H 39 7.679 7.704 -0.025 1
1 378 . 10 1 1 A 39 39 HIS HA H 39 4.943 4.412 0.531 1
1 383 . 10 1 1 A 39 39 HIS C C 39 173.845 175.100 -1.255 1
1 384 . 10 1 1 A 39 39 HIS CA C 39 54.045 58.408 -4.363 1
1 385 . 10 1 1 A 39 39 HIS CB C 39 29.490 28.880 0.610 1
1 388 . 10 1 1 A 39 39 HIS N N 39 114.679 116.632 -1.953 1
1 389 . 10 1 1 A 40 40 ASP H H 40 7.317 7.372 -0.055 1
1 390 . 10 1 1 A 40 40 ASP HA H 40 4.800 4.953 -0.153 1
1 393 . 10 1 1 A 40 40 ASP C C 40 175.035 174.868 0.167 1
1 394 . 10 1 1 A 40 40 ASP CA C 40 51.697 50.777 0.920 1
1 395 . 10 1 1 A 40 40 ASP CB C 40 42.630 43.414 -0.784 1
1 396 . 10 1 1 A 40 40 ASP N N 40 119.125 118.959 0.166 1
1 397 . 10 1 1 A 41 41 PRO HA H 41 4.552 4.382 0.170 1
1 404 . 10 1 1 A 41 41 PRO C C 41 177.331 177.854 -0.523 1
1 405 . 10 1 1 A 41 41 PRO CA C 41 64.019 64.044 -0.025 1
1 406 . 10 1 1 A 41 41 PRO CB C 41 32.235 31.847 0.388 1
1 409 . 10 1 1 A 42 42 ASN H H 42 8.484 8.781 -0.297 1
1 410 . 10 1 1 A 42 42 ASN HA H 42 4.703 4.543 0.160 1
1 415 . 10 1 1 A 42 42 ASN C C 42 174.879 176.569 -1.690 1
1 416 . 10 1 1 A 42 42 ASN CA C 42 53.371 56.453 -3.082 1
1 417 . 10 1 1 A 42 42 ASN CB C 42 39.009 38.294 0.715 1
1 418 . 10 1 1 A 42 42 ASN N N 42 116.107 116.851 -0.744 1
1 420 . 10 1 1 A 43 43 PHE H H 43 7.741 7.683 0.058 1
1 421 . 10 1 1 A 43 43 PHE HA H 43 4.448 4.410 0.038 1
1 429 . 10 1 1 A 43 43 PHE CA C 43 58.640 59.804 -1.164 1
1 430 . 10 1 1 A 43 43 PHE CB C 43 40.203 39.886 0.317 1
1 436 . 10 1 1 A 43 43 PHE N N 43 121.284 118.612 2.672 1
1 437 . 10 1 1 A 44 44 VAL H H 44 7.718 8.145 -0.427 1
1 438 . 10 1 1 A 44 44 VAL HA H 44 4.221 4.725 -0.504 1
1 446 . 10 1 1 A 44 44 VAL C C 44 173.190 173.758 -0.568 1
1 447 . 10 1 1 A 44 44 VAL CA C 44 59.177 58.598 0.579 1
1 448 . 10 1 1 A 44 44 VAL CB C 44 33.260 34.504 -1.244 1
1 451 . 10 1 1 A 44 44 VAL N N 44 126.832 126.430 0.402 1
1 452 . 10 1 1 A 45 45 PRO HA H 45 4.114 4.659 -0.545 1
1 459 . 10 1 1 A 45 45 PRO C C 45 176.031 176.970 -0.939 1
1 460 . 10 1 1 A 45 45 PRO CA C 45 62.732 62.541 0.191 1
1 461 . 10 1 1 A 45 45 PRO CB C 45 32.197 32.663 -0.466 1
1 464 . 10 1 1 A 46 46 ALA H H 46 8.199 8.376 -0.177 1
1 465 . 10 1 1 A 46 46 ALA HA H 46 4.161 4.557 -0.396 1
1 469 . 10 1 1 A 46 46 ALA C C 46 176.631 176.620 0.011 1
1 470 . 10 1 1 A 46 46 ALA CA C 46 52.105 52.278 -0.173 1
1 471 . 10 1 1 A 46 46 ALA CB C 46 19.315 19.694 -0.379 1
1 472 . 10 1 1 A 46 46 ALA N N 46 124.122 125.131 -1.009 1
1 473 . 10 1 1 A 47 47 ALA H H 47 7.755 8.611 -0.856 1
1 474 . 10 1 1 A 47 47 ALA HA H 47 4.218 5.170 -0.952 1
1 478 . 10 1 1 A 47 47 ALA C C 47 176.322 175.623 0.699 1
1 479 . 10 1 1 A 47 47 ALA CA C 47 52.140 50.636 1.504 1
1 480 . 10 1 1 A 47 47 ALA CB C 47 20.283 20.348 -0.065 1
1 481 . 10 1 1 A 47 47 ALA N N 47 121.689 126.950 -5.261 1
1 482 . 10 1 1 A 48 48 PHE H H 48 8.323 8.809 -0.486 1
1 483 . 10 1 1 A 48 48 PHE HA H 48 4.782 5.100 -0.318 1
1 491 . 10 1 1 A 48 48 PHE C C 48 174.258 174.433 -0.175 1
1 492 . 10 1 1 A 48 48 PHE CA C 48 57.108 56.907 0.201 1
1 493 . 10 1 1 A 48 48 PHE CB C 48 40.615 41.362 -0.747 1
1 499 . 10 1 1 A 48 48 PHE N N 48 118.583 121.456 -2.873 1
1 500 . 10 1 1 A 49 49 VAL H H 49 8.584 9.189 -0.605 1
1 501 . 10 1 1 A 49 49 VAL HA H 49 4.829 5.185 -0.356 1
1 509 . 10 1 1 A 49 49 VAL C C 49 175.667 175.532 0.135 1
1 510 . 10 1 1 A 49 49 VAL CA C 49 60.508 60.733 -0.225 1
1 511 . 10 1 1 A 49 49 VAL CB C 49 35.158 34.482 0.676 1
1 514 . 10 1 1 A 49 49 VAL N N 49 123.555 122.983 0.572 1
1 515 . 10 1 1 A 50 50 CYS H H 50 9.170 9.356 -0.186 1
1 516 . 10 1 1 A 50 50 CYS HA H 50 4.593 4.544 0.049 1
1 519 . 10 1 1 A 50 50 CYS C C 50 177.661 176.058 1.603 1
1 520 . 10 1 1 A 50 50 CYS CA C 50 59.909 59.799 0.110 1
1 521 . 10 1 1 A 50 50 CYS CB C 50 30.835 28.696 2.139 1
1 522 . 10 1 1 A 50 50 CYS N N 50 128.866 127.783 1.083 1
1 523 . 10 1 1 A 51 51 SER H H 51 9.205 8.833 0.372 1
1 524 . 10 1 1 A 51 51 SER HA H 51 4.271 4.548 -0.277 1
1 527 . 10 1 1 A 51 51 SER C C 51 174.401 175.112 -0.711 1
1 528 . 10 1 1 A 51 51 SER CA C 51 60.890 59.397 1.493 1
1 529 . 10 1 1 A 51 51 SER CB C 51 63.231 63.510 -0.279 1
1 530 . 10 1 1 A 51 51 SER N N 51 128.162 122.761 5.401 1
1 531 . 10 1 1 A 52 52 LYS H H 52 9.118 7.770 1.348 1
1 532 . 10 1 1 A 52 52 LYS HA H 52 4.421 4.299 0.122 1
1 541 . 10 1 1 A 52 52 LYS C C 52 177.831 178.129 -0.298 1
1 542 . 10 1 1 A 52 52 LYS CA C 52 58.535 58.047 0.488 1
1 543 . 10 1 1 A 52 52 LYS CB C 52 34.152 33.704 0.448 1
1 547 . 10 1 1 A 52 52 LYS N N 52 123.970 120.094 3.876 1
1 548 . 10 1 1 A 53 53 CYS H H 53 8.241 8.214 0.027 1
1 549 . 10 1 1 A 53 53 CYS HA H 53 4.999 4.662 0.337 1
1 552 . 10 1 1 A 53 53 CYS C C 53 176.529 175.509 1.020 1
1 553 . 10 1 1 A 53 53 CYS CA C 53 58.587 59.588 -1.001 1
1 554 . 10 1 1 A 53 53 CYS CB C 53 33.353 29.791 3.562 1
1 555 . 10 1 1 A 53 53 CYS N N 53 115.684 114.626 1.058 1
1 556 . 10 1 1 A 54 54 GLY H H 54 8.290 8.272 0.018 1
1 557 . 10 1 1 A 54 54 GLY HA2 H 54 4.226 4.081 0.145 1
1 558 . 10 1 1 A 54 54 GLY HA3 H 54 3.733 4.101 -0.368 1
1 559 . 10 1 1 A 54 54 GLY C C 54 173.761 174.230 -0.469 1
1 560 . 10 1 1 A 54 54 GLY CA C 54 46.147 45.375 0.772 1
1 561 . 10 1 1 A 54 54 GLY N N 54 113.723 110.354 3.369 1
1 562 . 10 1 1 A 55 55 LYS H H 55 8.598 7.910 0.688 1
1 563 . 10 1 1 A 55 55 LYS HA H 55 4.074 4.556 -0.482 1
1 572 . 10 1 1 A 55 55 LYS C C 55 174.748 176.594 -1.846 1
1 573 . 10 1 1 A 55 55 LYS CA C 55 58.270 54.638 3.632 1
1 574 . 10 1 1 A 55 55 LYS CB C 55 33.778 33.807 -0.029 1
1 578 . 10 1 1 A 55 55 LYS N N 55 124.175 119.337 4.838 1
1 579 . 10 1 1 A 56 56 THR H H 56 7.708 8.419 -0.711 1
1 580 . 10 1 1 A 56 56 THR HA H 56 5.028 5.051 -0.023 1
1 585 . 10 1 1 A 56 56 THR C C 56 173.673 173.747 -0.074 1
1 586 . 10 1 1 A 56 56 THR CA C 56 60.779 60.810 -0.031 1
1 587 . 10 1 1 A 56 56 THR CB C 56 70.823 70.360 0.463 1
1 589 . 10 1 1 A 56 56 THR N N 56 113.091 112.591 0.500 1
1 590 . 10 1 1 A 57 57 PHE H H 57 8.944 9.030 -0.086 1
1 591 . 10 1 1 A 57 57 PHE HA H 57 4.850 4.840 0.010 1
1 599 . 10 1 1 A 57 57 PHE C C 57 175.764 175.694 0.070 1
1 600 . 10 1 1 A 57 57 PHE CA C 57 56.949 56.307 0.642 1
1 601 . 10 1 1 A 57 57 PHE CB C 57 43.729 43.366 0.363 1
1 607 . 10 1 1 A 57 57 PHE N N 57 119.958 120.086 -0.128 1
1 608 . 10 1 1 A 58 58 THR HA H 58 4.629 4.418 0.211 1
1 613 . 10 1 1 A 58 58 THR CA C 58 62.738 63.656 -0.918 1
1 614 . 10 1 1 A 58 58 THR CB C 58 69.810 70.130 -0.320 1
1 616 . 10 1 1 A 59 59 ARG H H 59 7.422 7.894 -0.472 1
1 617 . 10 1 1 A 59 59 ARG HA H 59 4.740 4.741 -0.001 1
1 624 . 10 1 1 A 59 59 ARG CA C 59 54.724 53.728 0.996 1
1 625 . 10 1 1 A 59 59 ARG CB C 59 33.659 33.458 0.201 1
1 628 . 10 1 1 A 59 59 ARG N N 59 118.359 121.607 -3.248 1
1 629 . 10 1 1 A 60 60 ARG HA H 60 2.949 3.091 -0.142 1
1 636 . 10 1 1 A 60 60 ARG CA C 60 59.468 58.641 0.827 1
1 637 . 10 1 1 A 60 60 ARG CB C 60 29.732 29.092 0.640 1
1 640 . 10 1 1 A 61 61 ASN HA H 61 4.332 4.232 0.100 1
1 645 . 10 1 1 A 61 61 ASN C C 61 177.497 178.071 -0.574 1
1 646 . 10 1 1 A 61 61 ASN CA C 61 56.212 56.363 -0.151 1
1 647 . 10 1 1 A 61 61 ASN CB C 61 37.142 37.891 -0.749 1
1 649 . 10 1 1 A 62 62 THR H H 62 7.076 8.116 -1.040 1
1 650 . 10 1 1 A 62 62 THR HA H 62 3.893 3.763 0.130 1
1 655 . 10 1 1 A 62 62 THR C C 62 176.684 175.548 1.136 1
1 656 . 10 1 1 A 62 62 THR CA C 62 65.025 67.241 -2.216 1
1 657 . 10 1 1 A 62 62 THR CB C 62 68.112 68.466 -0.354 1
1 659 . 10 1 1 A 62 62 THR N N 62 115.050 114.978 0.072 1
1 660 . 10 1 1 A 63 63 MET H H 63 7.149 7.759 -0.610 1
1 661 . 10 1 1 A 63 63 MET HA H 63 2.545 2.782 -0.237 1
1 669 . 10 1 1 A 63 63 MET C C 63 176.978 177.640 -0.662 1
1 670 . 10 1 1 A 63 63 MET CA C 63 58.791 57.978 0.813 1
1 671 . 10 1 1 A 63 63 MET CB C 63 31.556 31.712 -0.156 1
1 674 . 10 1 1 A 63 63 MET N N 63 122.700 119.632 3.068 1
1 675 . 10 1 1 A 64 64 ALA H H 64 8.383 8.390 -0.007 1
1 676 . 10 1 1 A 64 64 ALA HA H 64 3.944 3.960 -0.016 1
1 680 . 10 1 1 A 64 64 ALA C C 64 179.879 180.122 -0.243 1
1 681 . 10 1 1 A 64 64 ALA CA C 64 55.324 55.276 0.048 1
1 682 . 10 1 1 A 64 64 ALA CB C 64 18.033 18.412 -0.379 1
1 683 . 10 1 1 A 64 64 ALA N N 64 122.001 121.191 0.810 1
1 684 . 10 1 1 A 65 65 ARG H H 65 7.574 7.936 -0.362 1
1 685 . 10 1 1 A 65 65 ARG HA H 65 4.139 3.941 0.198 1
1 692 . 10 1 1 A 65 65 ARG C C 65 178.946 178.529 0.417 1
1 693 . 10 1 1 A 65 65 ARG CA C 65 58.182 59.411 -1.229 1
1 694 . 10 1 1 A 65 65 ARG CB C 65 30.153 30.015 0.138 1
1 697 . 10 1 1 A 65 65 ARG N N 65 116.551 117.526 -0.975 1
1 698 . 10 1 1 A 66 66 HIS H H 66 7.455 8.050 -0.595 1
1 699 . 10 1 1 A 66 66 HIS HA H 66 4.271 4.198 0.073 1
1 704 . 10 1 1 A 66 66 HIS C C 66 177.633 176.515 1.118 1
1 705 . 10 1 1 A 66 66 HIS CA C 66 59.046 59.748 -0.702 1
1 706 . 10 1 1 A 66 66 HIS CB C 66 27.820 29.579 -1.759 1
1 709 . 10 1 1 A 66 66 HIS N N 66 118.483 119.609 -1.126 1
1 710 . 10 1 1 A 67 67 ALA H H 67 8.869 8.087 0.782 1
1 711 . 10 1 1 A 67 67 ALA HA H 67 3.968 3.654 0.314 1
1 715 . 10 1 1 A 67 67 ALA C C 67 179.374 178.690 0.684 1
1 716 . 10 1 1 A 67 67 ALA CA C 67 55.186 55.069 0.117 1
1 717 . 10 1 1 A 67 67 ALA CB C 67 18.851 18.185 0.666 1
1 718 . 10 1 1 A 67 67 ALA N N 67 122.114 120.845 1.269 1
1 719 . 10 1 1 A 68 68 ASP H H 68 7.476 8.259 -0.783 1
1 720 . 10 1 1 A 68 68 ASP HA H 68 4.401 4.233 0.168 1
1 723 . 10 1 1 A 68 68 ASP C C 68 176.580 178.142 -1.562 1
1 724 . 10 1 1 A 68 68 ASP CA C 68 56.772 57.570 -0.798 1
1 725 . 10 1 1 A 68 68 ASP CB C 68 40.945 41.476 -0.531 1
1 726 . 10 1 1 A 68 68 ASP N N 68 116.466 118.226 -1.760 1
1 727 . 10 1 1 A 69 69 ASN H H 69 7.227 7.271 -0.044 1
1 728 . 10 1 1 A 69 69 ASN HA H 69 4.905 4.747 0.158 1
1 733 . 10 1 1 A 69 69 ASN C C 69 173.603 174.965 -1.362 1
1 734 . 10 1 1 A 69 69 ASN CA C 69 52.518 53.784 -1.266 1
1 735 . 10 1 1 A 69 69 ASN CB C 69 40.657 38.734 1.923 1
1 736 . 10 1 1 A 69 69 ASN N N 69 114.158 114.579 -0.421 1
1 738 . 10 1 1 A 70 70 CYS H H 70 7.201 7.282 -0.081 1
1 739 . 10 1 1 A 70 70 CYS HA H 70 3.902 4.270 -0.368 1
1 742 . 10 1 1 A 70 70 CYS C C 70 175.424 174.201 1.223 1
1 743 . 10 1 1 A 70 70 CYS CA C 70 61.195 59.026 2.169 1
1 744 . 10 1 1 A 70 70 CYS CB C 70 29.288 28.602 0.686 1
1 745 . 10 1 1 A 70 70 CYS N N 70 124.154 120.402 3.752 1
1 746 . 10 1 1 A 71 71 ALA H H 71 8.783 8.805 -0.022 1
1 747 . 10 1 1 A 71 71 ALA HA H 71 4.562 4.521 0.041 1
1 751 . 10 1 1 A 71 71 ALA C C 71 177.513 176.926 0.587 1
1 752 . 10 1 1 A 71 71 ALA CA C 71 51.926 52.723 -0.797 1
1 753 . 10 1 1 A 71 71 ALA CB C 71 19.698 21.090 -1.392 1
1 754 . 10 1 1 A 71 71 ALA N N 71 131.493 125.613 5.880 1
1 755 . 10 1 1 A 72 72 GLY H H 72 8.645 7.330 1.315 1
1 756 . 10 1 1 A 72 72 GLY HA2 H 72 4.469 4.141 0.328 1
1 757 . 10 1 1 A 72 72 GLY HA3 H 72 3.628 4.151 -0.523 1
1 758 . 10 1 1 A 72 72 GLY C C 72 171.320 172.287 -0.967 1
1 759 . 10 1 1 A 72 72 GLY CA C 72 44.286 44.105 0.181 1
1 760 . 10 1 1 A 72 72 GLY N N 72 110.083 103.377 6.706 1
1 761 . 10 1 1 A 73 73 PRO HA H 73 4.470 4.771 -0.301 1
1 768 . 10 1 1 A 73 73 PRO C C 73 176.905 176.079 0.826 1
1 769 . 10 1 1 A 73 73 PRO CA C 73 63.706 62.873 0.833 1
1 770 . 10 1 1 A 73 73 PRO CB C 73 32.344 31.940 0.404 1
1 773 . 10 1 1 A 74 74 ASP H H 74 8.506 8.718 -0.212 1
1 774 . 10 1 1 A 74 74 ASP HA H 74 4.659 4.929 -0.270 1
1 777 . 10 1 1 A 74 74 ASP C C 74 176.869 176.521 0.348 1
1 778 . 10 1 1 A 74 74 ASP CA C 74 54.617 53.022 1.595 1
1 779 . 10 1 1 A 74 74 ASP CB C 74 41.335 41.150 0.185 1
1 780 . 10 1 1 A 74 74 ASP N N 74 120.155 118.778 1.377 1
1 781 . 10 1 1 A 75 75 GLY H H 75 8.257 8.330 -0.073 1
1 782 . 10 1 1 A 75 75 GLY HA2 H 75 4.072 3.962 0.110 1
1 783 . 10 1 1 A 75 75 GLY HA3 H 75 3.965 3.964 0.001 1
1 784 . 10 1 1 A 75 75 GLY C C 75 174.256 174.509 -0.253 1
1 785 . 10 1 1 A 75 75 GLY CA C 75 45.653 45.404 0.249 1
1 786 . 10 1 1 A 75 75 GLY N N 75 108.913 110.258 -1.345 1
1 787 . 10 1 1 A 76 76 VAL H H 76 8.079 8.892 -0.813 1
1 788 . 10 1 1 A 76 76 VAL HA H 76 4.169 3.792 0.377 1
1 796 . 10 1 1 A 76 76 VAL C C 76 176.347 175.025 1.322 1
1 797 . 10 1 1 A 76 76 VAL CA C 76 62.295 63.236 -0.941 1
1 798 . 10 1 1 A 76 76 VAL CB C 76 32.871 30.531 2.340 1
1 801 . 10 1 1 A 76 76 VAL N N 76 119.508 121.242 -1.734 1
1 802 . 10 1 1 A 77 77 GLU H H 77 8.619 7.815 0.804 1
1 803 . 10 1 1 A 77 77 GLU HA H 77 4.310 4.998 -0.688 1
1 808 . 10 1 1 A 77 77 GLU C C 77 177.046 174.908 2.138 1
1 809 . 10 1 1 A 77 77 GLU CA C 77 56.966 54.796 2.170 1
1 810 . 10 1 1 A 77 77 GLU CB C 77 30.318 32.993 -2.675 1
1 812 . 10 1 1 A 77 77 GLU N N 77 125.001 121.606 3.395 1
1 813 . 10 1 1 A 78 78 GLY H H 78 8.446 8.531 -0.085 1
1 814 . 10 1 1 A 78 78 GLY HA2 H 78 3.987 4.206 -0.219 1
1 815 . 10 1 1 A 78 78 GLY HA3 H 78 3.987 4.207 -0.220 1
1 816 . 10 1 1 A 78 78 GLY C C 78 174.238 174.529 -0.291 1
1 817 . 10 1 1 A 78 78 GLY CA C 78 45.283 45.797 -0.514 1
1 818 . 10 1 1 A 78 78 GLY N N 78 110.357 113.692 -3.335 1
1 819 . 10 1 1 A 79 79 GLU H H 79 8.313 7.725 0.588 1
1 820 . 10 1 1 A 79 79 GLU HA H 79 4.309 4.730 -0.421 1
1 825 . 10 1 1 A 79 79 GLU C C 79 176.509 174.374 2.135 1
1 826 . 10 1 1 A 79 79 GLU CA C 79 56.755 55.210 1.545 1
1 827 . 10 1 1 A 79 79 GLU CB C 79 30.317 32.548 -2.231 1
1 829 . 10 1 1 A 79 79 GLU N N 79 120.638 114.178 6.460 1
1 830 . 10 1 1 A 80 80 ASN H H 80 8.588 8.792 -0.204 1
1 831 . 10 1 1 A 80 80 ASN HA H 80 4.801 5.337 -0.536 1
1 834 . 10 1 1 A 80 80 ASN C C 80 175.202 174.833 0.369 1
1 835 . 10 1 1 A 80 80 ASN CA C 80 53.336 51.319 2.017 1
1 836 . 10 1 1 A 80 80 ASN CB C 80 39.051 41.117 -2.066 1
1 837 . 10 1 1 A 80 80 ASN N N 80 119.808 120.178 -0.370 1
1 838 . 10 1 1 A 81 81 SER H H 81 8.322 8.362 -0.040 1
1 839 . 10 1 1 A 81 81 SER HA H 81 4.517 4.661 -0.144 1
1 842 . 10 1 1 A 81 81 SER C C 81 174.643 174.927 -0.284 1
1 843 . 10 1 1 A 81 81 SER CA C 81 58.499 58.435 0.064 1
1 844 . 10 1 1 A 81 81 SER CB C 81 64.056 65.411 -1.355 1
1 845 . 10 1 1 A 81 81 SER N N 81 116.318 112.972 3.346 1
1 846 . 10 1 1 A 82 82 GLY H H 82 8.303 7.904 0.399 1
1 847 . 10 1 1 A 82 82 GLY HA2 H 82 4.170 4.066 0.104 1
1 848 . 10 1 1 A 82 82 GLY HA3 H 82 4.125 4.076 0.049 1
1 849 . 10 1 1 A 82 82 GLY C C 82 171.855 173.173 -1.318 1
1 850 . 10 1 1 A 82 82 GLY CA C 82 44.719 44.869 -0.150 1
1 851 . 10 1 1 A 82 82 GLY N N 82 110.706 110.352 0.354 1
1 852 . 10 1 1 A 83 83 PRO HA H 83 4.498 4.665 -0.167 1
1 859 . 10 1 1 A 83 83 PRO C C 83 177.459 175.333 2.126 1
1 860 . 10 1 1 A 83 83 PRO CA C 83 63.274 62.682 0.592 1
1 861 . 10 1 1 A 83 83 PRO CB C 83 32.254 33.260 -1.006 1
1 864 . 10 1 1 A 84 84 SER H H 84 8.541 8.540 0.001 1
1 865 . 10 1 1 A 84 84 SER HA H 84 4.508 4.895 -0.387 1
1 868 . 10 1 1 A 84 84 SER C C 84 174.744 173.262 1.482 1
1 869 . 10 1 1 A 84 84 SER CA C 84 58.412 57.837 0.575 1
1 870 . 10 1 1 A 84 84 SER CB C 84 64.056 63.867 0.189 1
1 871 . 10 1 1 A 84 84 SER N N 84 116.449 117.450 -1.001 1
1 872 . 10 1 1 A 85 85 SER H H 85 8.353 8.603 -0.250 1
1 873 . 10 1 1 A 85 85 SER HA H 85 4.517 5.240 -0.723 1
1 876 . 10 1 1 A 85 85 SER C C 85 173.953 173.189 0.764 1
1 877 . 10 1 1 A 85 85 SER CA C 85 58.492 57.782 0.710 1
1 878 . 10 1 1 A 85 85 SER CB C 85 64.138 66.862 -2.724 1
1 879 . 10 1 1 A 85 85 SER N N 85 117.940 121.198 -3.258 1
1 1 . 11 1 1 A 8 8 ARG HA H 8 4.432 4.516 -0.084 1
1 7 . 11 1 1 A 8 8 ARG CA C 8 56.069 55.060 1.009 1
1 8 . 11 1 1 A 8 8 ARG CB C 8 30.974 30.197 0.777 1
1 14 . 11 1 1 A 9 9 THR CB C 9 69.816 68.422 1.394 1
1 16 . 11 1 1 A 10 10 HIS HA H 10 4.730 5.643 -0.913 1
1 21 . 11 1 1 A 10 10 HIS CA C 10 56.345 53.264 3.081 1
1 22 . 11 1 1 A 10 10 HIS CB C 10 31.058 33.129 -2.071 1
1 28 . 11 1 1 A 11 11 THR CB C 11 69.816 69.993 -0.177 1
1 30 . 11 1 1 A 12 12 GLY HA2 H 12 3.978 4.129 -0.151 1
1 31 . 11 1 1 A 12 12 GLY HA3 H 12 3.978 4.163 -0.185 1
1 32 . 11 1 1 A 12 12 GLY CA C 12 45.442 45.408 0.034 1
1 33 . 11 1 1 A 13 13 GLU H H 13 8.243 8.375 -0.132 1
1 34 . 11 1 1 A 13 13 GLU HA H 13 4.235 5.091 -0.856 1
1 39 . 11 1 1 A 13 13 GLU CA C 13 56.898 54.988 1.910 1
1 40 . 11 1 1 A 13 13 GLU CB C 13 30.495 32.715 -2.220 1
1 42 . 11 1 1 A 13 13 GLU N N 13 120.364 119.698 0.666 1
1 43 . 11 1 1 A 14 14 LYS H H 14 8.276 8.659 -0.383 1
1 44 . 11 1 1 A 14 14 LYS HA H 14 4.528 5.064 -0.536 1
1 53 . 11 1 1 A 14 14 LYS CA C 14 54.009 52.823 1.186 1
1 54 . 11 1 1 A 14 14 LYS CB C 14 32.667 33.804 -1.137 1
1 58 . 11 1 1 A 14 14 LYS N N 14 121.981 124.915 -2.934 1
1 59 . 11 1 1 A 15 15 PRO HA H 15 4.347 4.398 -0.051 1
1 66 . 11 1 1 A 15 15 PRO CA C 15 63.237 64.724 -1.487 1
1 67 . 11 1 1 A 15 15 PRO CB C 15 32.365 31.843 0.522 1
1 70 . 11 1 1 A 16 16 TYR H H 16 8.234 7.655 0.579 1
1 71 . 11 1 1 A 16 16 TYR HA H 16 4.508 4.784 -0.276 1
1 78 . 11 1 1 A 16 16 TYR C C 16 174.453 174.811 -0.358 1
1 79 . 11 1 1 A 16 16 TYR CA C 16 58.076 57.036 1.040 1
1 80 . 11 1 1 A 16 16 TYR CB C 16 38.346 38.154 0.192 1
1 85 . 11 1 1 A 16 16 TYR N N 16 118.751 117.803 0.948 1
1 86 . 11 1 1 A 17 17 ALA H H 17 8.567 9.003 -0.436 1
1 87 . 11 1 1 A 17 17 ALA HA H 17 4.754 5.347 -0.593 1
1 91 . 11 1 1 A 17 17 ALA C C 17 176.249 176.455 -0.206 1
1 92 . 11 1 1 A 17 17 ALA CA C 17 51.274 50.474 0.800 1
1 93 . 11 1 1 A 17 17 ALA CB C 17 20.625 21.000 -0.375 1
1 94 . 11 1 1 A 17 17 ALA N N 17 127.897 127.748 0.149 1
1 95 . 11 1 1 A 18 18 CYS H H 18 8.464 9.242 -0.778 1
1 96 . 11 1 1 A 18 18 CYS HA H 18 4.538 4.710 -0.172 1
1 99 . 11 1 1 A 18 18 CYS C C 18 175.739 175.079 0.660 1
1 100 . 11 1 1 A 18 18 CYS CA C 18 60.966 59.979 0.987 1
1 101 . 11 1 1 A 18 18 CYS CB C 18 29.435 28.772 0.663 1
1 102 . 11 1 1 A 18 18 CYS N N 18 125.366 123.014 2.352 1
1 103 . 11 1 1 A 19 19 SER H H 19 8.439 9.290 -0.851 1
1 104 . 11 1 1 A 19 19 SER HA H 19 4.426 4.429 -0.003 1
1 107 . 11 1 1 A 19 19 SER C C 19 175.890 176.753 -0.863 1
1 108 . 11 1 1 A 19 19 SER CA C 19 60.085 61.572 -1.487 1
1 109 . 11 1 1 A 19 19 SER CB C 19 64.097 63.215 0.882 1
1 110 . 11 1 1 A 19 19 SER N N 19 121.912 121.766 0.146 1
1 111 . 11 1 1 A 20 20 HIS H H 20 9.949 8.544 1.405 1
1 112 . 11 1 1 A 20 20 HIS HA H 20 4.579 4.370 0.209 1
1 117 . 11 1 1 A 20 20 HIS C C 20 174.670 175.551 -0.881 1
1 118 . 11 1 1 A 20 20 HIS CA C 20 57.354 58.264 -0.910 1
1 119 . 11 1 1 A 20 20 HIS CB C 20 30.787 29.458 1.329 1
1 122 . 11 1 1 A 20 20 HIS N N 20 126.154 119.007 7.147 1
1 123 . 11 1 1 A 21 21 CYS H H 21 7.972 8.034 -0.062 1
1 124 . 11 1 1 A 21 21 CYS HA H 21 4.947 4.964 -0.017 1
1 127 . 11 1 1 A 21 21 CYS C C 21 172.879 174.369 -1.490 1
1 128 . 11 1 1 A 21 21 CYS CA C 21 58.891 56.587 2.304 1
1 129 . 11 1 1 A 21 21 CYS CB C 21 29.766 30.887 -1.121 1
1 130 . 11 1 1 A 21 21 CYS N N 21 119.638 114.716 4.922 1
1 131 . 11 1 1 A 22 22 ASP H H 22 8.167 8.711 -0.544 1
1 132 . 11 1 1 A 22 22 ASP HA H 22 4.668 4.854 -0.186 1
1 135 . 11 1 1 A 22 22 ASP C C 22 176.857 175.464 1.393 1
1 136 . 11 1 1 A 22 22 ASP CA C 22 54.587 53.046 1.541 1
1 137 . 11 1 1 A 22 22 ASP CB C 22 40.758 40.673 0.085 1
1 138 . 11 1 1 A 22 22 ASP N N 22 115.180 121.816 -6.636 1
1 139 . 11 1 1 A 23 23 LYS H H 23 8.407 7.703 0.704 1
1 140 . 11 1 1 A 23 23 LYS HA H 23 4.085 4.478 -0.393 1
1 148 . 11 1 1 A 23 23 LYS C C 23 175.732 175.958 -0.226 1
1 149 . 11 1 1 A 23 23 LYS CA C 23 57.537 54.880 2.657 1
1 150 . 11 1 1 A 23 23 LYS CB C 23 33.593 33.980 -0.387 1
1 154 . 11 1 1 A 23 23 LYS N N 23 122.302 120.622 1.680 1
1 155 . 11 1 1 A 24 24 THR H H 24 7.462 8.407 -0.945 1
1 156 . 11 1 1 A 24 24 THR HA H 24 5.018 5.377 -0.359 1
1 161 . 11 1 1 A 24 24 THR C C 24 173.047 172.607 0.440 1
1 162 . 11 1 1 A 24 24 THR CA C 24 59.500 59.087 0.413 1
1 163 . 11 1 1 A 24 24 THR CB C 24 71.795 72.168 -0.373 1
1 165 . 11 1 1 A 24 24 THR N N 24 110.405 111.959 -1.554 1
1 166 . 11 1 1 A 25 25 PHE H H 25 8.750 8.822 -0.072 1
1 167 . 11 1 1 A 25 25 PHE HA H 25 4.886 4.940 -0.054 1
1 175 . 11 1 1 A 25 25 PHE C C 25 175.982 175.725 0.257 1
1 176 . 11 1 1 A 25 25 PHE CA C 25 57.301 56.505 0.796 1
1 177 . 11 1 1 A 25 25 PHE CB C 25 44.782 43.423 1.359 1
1 183 . 11 1 1 A 25 25 PHE N N 25 116.161 118.021 -1.860 1
1 184 . 11 1 1 A 26 26 ARG HA H 26 4.550 4.454 0.096 1
1 191 . 11 1 1 A 26 26 ARG C C 26 175.820 176.574 -0.754 1
1 192 . 11 1 1 A 26 26 ARG CA C 26 57.830 58.126 -0.296 1
1 193 . 11 1 1 A 26 26 ARG CB C 26 31.465 31.003 0.462 1
1 196 . 11 1 1 A 27 27 GLN H H 27 7.052 7.812 -0.760 1
1 197 . 11 1 1 A 27 27 GLN HA H 27 4.820 4.327 0.493 1
1 204 . 11 1 1 A 27 27 GLN C C 27 175.929 176.693 -0.764 1
1 205 . 11 1 1 A 27 27 GLN CA C 27 53.971 54.862 -0.891 1
1 206 . 11 1 1 A 27 27 GLN CB C 27 32.968 29.875 3.093 1
1 208 . 11 1 1 A 27 27 GLN N N 27 111.833 117.814 -5.981 1
1 210 . 11 1 1 A 28 28 LYS H H 28 8.616 7.857 0.759 1
1 211 . 11 1 1 A 28 28 LYS HA H 28 3.013 3.402 -0.389 1
1 220 . 11 1 1 A 28 28 LYS C C 28 177.891 178.208 -0.317 1
1 221 . 11 1 1 A 28 28 LYS CA C 28 59.351 58.812 0.539 1
1 222 . 11 1 1 A 28 28 LYS CB C 28 31.901 31.806 0.095 1
1 226 . 11 1 1 A 28 28 LYS N N 28 127.969 123.289 4.680 1
1 227 . 11 1 1 A 29 29 GLN H H 29 9.039 7.753 1.286 1
1 228 . 11 1 1 A 29 29 GLN HA H 29 4.110 3.897 0.213 1
1 235 . 11 1 1 A 29 29 GLN C C 29 178.275 178.157 0.118 1
1 236 . 11 1 1 A 29 29 GLN CA C 29 59.073 58.791 0.282 1
1 237 . 11 1 1 A 29 29 GLN CB C 29 27.673 28.393 -0.720 1
1 239 . 11 1 1 A 29 29 GLN N N 29 116.426 118.808 -2.382 1
1 241 . 11 1 1 A 30 30 LEU H H 30 6.687 7.823 -1.136 1
1 242 . 11 1 1 A 30 30 LEU HA H 30 4.105 3.830 0.275 1
1 252 . 11 1 1 A 30 30 LEU C C 30 179.455 178.554 0.901 1
1 253 . 11 1 1 A 30 30 LEU CA C 30 56.878 57.544 -0.666 1
1 254 . 11 1 1 A 30 30 LEU CB C 30 41.552 41.968 -0.416 1
1 258 . 11 1 1 A 30 30 LEU N N 30 116.469 119.958 -3.489 1
1 259 . 11 1 1 A 31 31 LEU H H 31 6.875 7.297 -0.422 1
1 260 . 11 1 1 A 31 31 LEU HA H 31 3.174 2.459 0.715 1
1 270 . 11 1 1 A 31 31 LEU C C 31 177.599 178.030 -0.431 1
1 271 . 11 1 1 A 31 31 LEU CA C 31 57.829 57.241 0.588 1
1 272 . 11 1 1 A 31 31 LEU CB C 31 39.945 40.745 -0.800 1
1 276 . 11 1 1 A 31 31 LEU N N 31 122.863 119.124 3.739 1
1 277 . 11 1 1 A 32 32 ASP H H 32 8.429 8.407 0.022 1
1 278 . 11 1 1 A 32 32 ASP HA H 32 4.356 4.247 0.109 1
1 281 . 11 1 1 A 32 32 ASP C C 32 179.142 178.110 1.032 1
1 282 . 11 1 1 A 32 32 ASP CA C 32 57.830 57.208 0.622 1
1 283 . 11 1 1 A 32 32 ASP CB C 32 39.978 40.916 -0.938 1
1 284 . 11 1 1 A 32 32 ASP N N 32 120.350 119.045 1.305 1
1 285 . 11 1 1 A 33 33 MET H H 33 7.738 8.446 -0.708 1
1 286 . 11 1 1 A 33 33 MET HA H 33 4.167 3.708 0.459 1
1 294 . 11 1 1 A 33 33 MET C C 33 178.463 177.975 0.488 1
1 295 . 11 1 1 A 33 33 MET CA C 33 58.454 57.864 0.590 1
1 296 . 11 1 1 A 33 33 MET CB C 33 32.924 32.314 0.610 1
1 299 . 11 1 1 A 33 33 MET N N 33 118.109 118.715 -0.606 1
1 300 . 11 1 1 A 34 34 HIS H H 34 7.632 8.169 -0.537 1
1 301 . 11 1 1 A 34 34 HIS HA H 34 4.396 4.212 0.184 1
1 306 . 11 1 1 A 34 34 HIS C C 34 176.258 176.692 -0.434 1
1 307 . 11 1 1 A 34 34 HIS CA C 34 59.715 58.976 0.739 1
1 308 . 11 1 1 A 34 34 HIS CB C 34 28.594 29.881 -1.287 1
1 311 . 11 1 1 A 34 34 HIS N N 34 120.242 120.778 -0.536 1
1 312 . 11 1 1 A 35 35 PHE H H 35 9.373 7.763 1.610 1
1 313 . 11 1 1 A 35 35 PHE HA H 35 3.726 3.879 -0.153 1
1 321 . 11 1 1 A 35 35 PHE C C 35 178.043 177.392 0.651 1
1 322 . 11 1 1 A 35 35 PHE CA C 35 62.870 61.210 1.660 1
1 323 . 11 1 1 A 35 35 PHE CB C 35 39.846 39.206 0.640 1
1 329 . 11 1 1 A 35 35 PHE N N 35 121.691 120.196 1.495 1
1 330 . 11 1 1 A 36 36 LYS H H 36 7.861 7.936 -0.075 1
1 331 . 11 1 1 A 36 36 LYS HA H 36 4.139 4.447 -0.308 1
1 340 . 11 1 1 A 36 36 LYS C C 36 176.843 178.447 -1.604 1
1 341 . 11 1 1 A 36 36 LYS CA C 36 58.198 58.484 -0.286 1
1 342 . 11 1 1 A 36 36 LYS CB C 36 32.906 32.312 0.594 1
1 346 . 11 1 1 A 36 36 LYS N N 36 118.022 118.129 -0.107 1
1 347 . 11 1 1 A 37 37 ARG H H 37 7.298 7.554 -0.256 1
1 348 . 11 1 1 A 37 37 ARG HA H 37 3.717 4.398 -0.681 1
1 355 . 11 1 1 A 37 37 ARG C C 37 177.872 178.341 -0.469 1
1 356 . 11 1 1 A 37 37 ARG CA C 37 57.874 58.221 -0.347 1
1 357 . 11 1 1 A 37 37 ARG CB C 37 30.619 30.927 -0.308 1
1 360 . 11 1 1 A 37 37 ARG N N 37 114.740 120.432 -5.692 1
1 361 . 11 1 1 A 38 38 TYR H H 38 7.779 8.444 -0.665 1
1 362 . 11 1 1 A 38 38 TYR HA H 38 4.146 4.148 -0.002 1
1 369 . 11 1 1 A 38 38 TYR C C 38 176.160 178.539 -2.379 1
1 370 . 11 1 1 A 38 38 TYR CA C 38 59.941 60.168 -0.227 1
1 371 . 11 1 1 A 38 38 TYR CB C 38 38.516 37.995 0.521 1
1 376 . 11 1 1 A 38 38 TYR N N 38 112.257 118.832 -6.575 1
1 377 . 11 1 1 A 39 39 HIS H H 39 7.679 7.679 0.000 1
1 378 . 11 1 1 A 39 39 HIS HA H 39 4.943 4.391 0.552 1
1 383 . 11 1 1 A 39 39 HIS C C 39 173.845 174.829 -0.984 1
1 384 . 11 1 1 A 39 39 HIS CA C 39 54.045 58.346 -4.301 1
1 385 . 11 1 1 A 39 39 HIS CB C 39 29.490 29.130 0.360 1
1 388 . 11 1 1 A 39 39 HIS N N 39 114.679 116.901 -2.222 1
1 389 . 11 1 1 A 40 40 ASP H H 40 7.317 7.433 -0.116 1
1 390 . 11 1 1 A 40 40 ASP HA H 40 4.800 4.948 -0.148 1
1 393 . 11 1 1 A 40 40 ASP C C 40 175.035 174.997 0.038 1
1 394 . 11 1 1 A 40 40 ASP CA C 40 51.697 50.593 1.104 1
1 395 . 11 1 1 A 40 40 ASP CB C 40 42.630 42.957 -0.327 1
1 396 . 11 1 1 A 40 40 ASP N N 40 119.125 118.047 1.078 1
1 397 . 11 1 1 A 41 41 PRO HA H 41 4.552 4.405 0.147 1
1 404 . 11 1 1 A 41 41 PRO C C 41 177.331 177.499 -0.168 1
1 405 . 11 1 1 A 41 41 PRO CA C 41 64.019 64.032 -0.013 1
1 406 . 11 1 1 A 41 41 PRO CB C 41 32.235 31.984 0.251 1
1 409 . 11 1 1 A 42 42 ASN H H 42 8.484 8.574 -0.090 1
1 410 . 11 1 1 A 42 42 ASN HA H 42 4.703 4.587 0.116 1
1 415 . 11 1 1 A 42 42 ASN C C 42 174.879 176.490 -1.611 1
1 416 . 11 1 1 A 42 42 ASN CA C 42 53.371 56.322 -2.951 1
1 417 . 11 1 1 A 42 42 ASN CB C 42 39.009 38.884 0.125 1
1 418 . 11 1 1 A 42 42 ASN N N 42 116.107 116.717 -0.610 1
1 420 . 11 1 1 A 43 43 PHE H H 43 7.741 7.675 0.066 1
1 421 . 11 1 1 A 43 43 PHE HA H 43 4.448 4.451 -0.003 1
1 429 . 11 1 1 A 43 43 PHE CA C 43 58.640 59.816 -1.176 1
1 430 . 11 1 1 A 43 43 PHE CB C 43 40.203 39.858 0.345 1
1 436 . 11 1 1 A 43 43 PHE N N 43 121.284 118.485 2.799 1
1 437 . 11 1 1 A 44 44 VAL H H 44 7.718 8.257 -0.539 1
1 438 . 11 1 1 A 44 44 VAL HA H 44 4.221 4.801 -0.580 1
1 446 . 11 1 1 A 44 44 VAL C C 44 173.190 173.681 -0.491 1
1 447 . 11 1 1 A 44 44 VAL CA C 44 59.177 58.467 0.710 1
1 448 . 11 1 1 A 44 44 VAL CB C 44 33.260 34.959 -1.699 1
1 451 . 11 1 1 A 44 44 VAL N N 44 126.832 126.540 0.292 1
1 452 . 11 1 1 A 45 45 PRO HA H 45 4.114 4.758 -0.644 1
1 459 . 11 1 1 A 45 45 PRO C C 45 176.031 177.297 -1.266 1
1 460 . 11 1 1 A 45 45 PRO CA C 45 62.732 62.366 0.366 1
1 461 . 11 1 1 A 45 45 PRO CB C 45 32.197 32.709 -0.512 1
1 464 . 11 1 1 A 46 46 ALA H H 46 8.199 8.420 -0.221 1
1 465 . 11 1 1 A 46 46 ALA HA H 46 4.161 4.467 -0.306 1
1 469 . 11 1 1 A 46 46 ALA C C 46 176.631 176.708 -0.077 1
1 470 . 11 1 1 A 46 46 ALA CA C 46 52.105 52.351 -0.246 1
1 471 . 11 1 1 A 46 46 ALA CB C 46 19.315 19.327 -0.012 1
1 472 . 11 1 1 A 46 46 ALA N N 46 124.122 125.968 -1.846 1
1 473 . 11 1 1 A 47 47 ALA H H 47 7.755 8.667 -0.912 1
1 474 . 11 1 1 A 47 47 ALA HA H 47 4.218 5.181 -0.963 1
1 478 . 11 1 1 A 47 47 ALA C C 47 176.322 175.546 0.776 1
1 479 . 11 1 1 A 47 47 ALA CA C 47 52.140 50.537 1.603 1
1 480 . 11 1 1 A 47 47 ALA CB C 47 20.283 20.247 0.036 1
1 481 . 11 1 1 A 47 47 ALA N N 47 121.689 127.268 -5.579 1
1 482 . 11 1 1 A 48 48 PHE H H 48 8.323 9.033 -0.710 1
1 483 . 11 1 1 A 48 48 PHE HA H 48 4.782 5.150 -0.368 1
1 491 . 11 1 1 A 48 48 PHE C C 48 174.258 174.370 -0.112 1
1 492 . 11 1 1 A 48 48 PHE CA C 48 57.108 56.789 0.319 1
1 493 . 11 1 1 A 48 48 PHE CB C 48 40.615 40.554 0.061 1
1 499 . 11 1 1 A 48 48 PHE N N 48 118.583 123.060 -4.477 1
1 500 . 11 1 1 A 49 49 VAL H H 49 8.584 9.223 -0.639 1
1 501 . 11 1 1 A 49 49 VAL HA H 49 4.829 5.032 -0.203 1
1 509 . 11 1 1 A 49 49 VAL C C 49 175.667 175.422 0.245 1
1 510 . 11 1 1 A 49 49 VAL CA C 49 60.508 61.202 -0.694 1
1 511 . 11 1 1 A 49 49 VAL CB C 49 35.158 34.363 0.795 1
1 514 . 11 1 1 A 49 49 VAL N N 49 123.555 123.523 0.032 1
1 515 . 11 1 1 A 50 50 CYS H H 50 9.170 9.514 -0.344 1
1 516 . 11 1 1 A 50 50 CYS HA H 50 4.593 4.618 -0.025 1
1 519 . 11 1 1 A 50 50 CYS C C 50 177.661 175.636 2.025 1
1 520 . 11 1 1 A 50 50 CYS CA C 50 59.909 59.910 -0.001 1
1 521 . 11 1 1 A 50 50 CYS CB C 50 30.835 28.362 2.473 1
1 522 . 11 1 1 A 50 50 CYS N N 50 128.866 127.128 1.738 1
1 523 . 11 1 1 A 51 51 SER H H 51 9.205 8.974 0.231 1
1 524 . 11 1 1 A 51 51 SER HA H 51 4.271 4.625 -0.354 1
1 527 . 11 1 1 A 51 51 SER C C 51 174.401 175.179 -0.778 1
1 528 . 11 1 1 A 51 51 SER CA C 51 60.890 59.128 1.762 1
1 529 . 11 1 1 A 51 51 SER CB C 51 63.231 63.905 -0.674 1
1 530 . 11 1 1 A 51 51 SER N N 51 128.162 121.876 6.286 1
1 531 . 11 1 1 A 52 52 LYS H H 52 9.118 7.275 1.843 1
1 532 . 11 1 1 A 52 52 LYS HA H 52 4.421 4.209 0.212 1
1 541 . 11 1 1 A 52 52 LYS C C 52 177.831 178.166 -0.335 1
1 542 . 11 1 1 A 52 52 LYS CA C 52 58.535 58.735 -0.200 1
1 543 . 11 1 1 A 52 52 LYS CB C 52 34.152 33.129 1.023 1
1 547 . 11 1 1 A 52 52 LYS N N 52 123.970 120.862 3.108 1
1 548 . 11 1 1 A 53 53 CYS H H 53 8.241 8.187 0.054 1
1 549 . 11 1 1 A 53 53 CYS HA H 53 4.999 4.650 0.349 1
1 552 . 11 1 1 A 53 53 CYS C C 53 176.529 175.461 1.068 1
1 553 . 11 1 1 A 53 53 CYS CA C 53 58.587 59.666 -1.079 1
1 554 . 11 1 1 A 53 53 CYS CB C 53 33.353 29.949 3.404 1
1 555 . 11 1 1 A 53 53 CYS N N 53 115.684 114.275 1.409 1
1 556 . 11 1 1 A 54 54 GLY H H 54 8.290 8.179 0.111 1
1 557 . 11 1 1 A 54 54 GLY HA2 H 54 4.226 4.097 0.129 1
1 558 . 11 1 1 A 54 54 GLY HA3 H 54 3.733 4.118 -0.385 1
1 559 . 11 1 1 A 54 54 GLY C C 54 173.761 174.251 -0.490 1
1 560 . 11 1 1 A 54 54 GLY CA C 54 46.147 45.278 0.869 1
1 561 . 11 1 1 A 54 54 GLY N N 54 113.723 110.402 3.321 1
1 562 . 11 1 1 A 55 55 LYS H H 55 8.598 7.855 0.743 1
1 563 . 11 1 1 A 55 55 LYS HA H 55 4.074 4.419 -0.345 1
1 572 . 11 1 1 A 55 55 LYS C C 55 174.748 176.727 -1.979 1
1 573 . 11 1 1 A 55 55 LYS CA C 55 58.270 55.484 2.786 1
1 574 . 11 1 1 A 55 55 LYS CB C 55 33.778 33.468 0.310 1
1 578 . 11 1 1 A 55 55 LYS N N 55 124.175 119.895 4.280 1
1 579 . 11 1 1 A 56 56 THR H H 56 7.708 8.375 -0.667 1
1 580 . 11 1 1 A 56 56 THR HA H 56 5.028 5.035 -0.007 1
1 585 . 11 1 1 A 56 56 THR C C 56 173.673 173.969 -0.296 1
1 586 . 11 1 1 A 56 56 THR CA C 56 60.779 60.962 -0.183 1
1 587 . 11 1 1 A 56 56 THR CB C 56 70.823 70.224 0.599 1
1 589 . 11 1 1 A 56 56 THR N N 56 113.091 113.699 -0.608 1
1 590 . 11 1 1 A 57 57 PHE H H 57 8.944 9.054 -0.110 1
1 591 . 11 1 1 A 57 57 PHE HA H 57 4.850 4.915 -0.065 1
1 599 . 11 1 1 A 57 57 PHE C C 57 175.764 175.885 -0.121 1
1 600 . 11 1 1 A 57 57 PHE CA C 57 56.949 56.529 0.420 1
1 601 . 11 1 1 A 57 57 PHE CB C 57 43.729 42.383 1.346 1
1 607 . 11 1 1 A 57 57 PHE N N 57 119.958 120.261 -0.303 1
1 608 . 11 1 1 A 58 58 THR HA H 58 4.629 4.304 0.325 1
1 613 . 11 1 1 A 58 58 THR CA C 58 62.738 64.914 -2.176 1
1 614 . 11 1 1 A 58 58 THR CB C 58 69.810 69.628 0.182 1
1 616 . 11 1 1 A 59 59 ARG H H 59 7.422 7.882 -0.460 1
1 617 . 11 1 1 A 59 59 ARG HA H 59 4.740 4.675 0.065 1
1 624 . 11 1 1 A 59 59 ARG CA C 59 54.724 54.217 0.507 1
1 625 . 11 1 1 A 59 59 ARG CB C 59 33.659 32.858 0.801 1
1 628 . 11 1 1 A 59 59 ARG N N 59 118.359 119.547 -1.188 1
1 629 . 11 1 1 A 60 60 ARG HA H 60 2.949 3.042 -0.093 1
1 636 . 11 1 1 A 60 60 ARG CA C 60 59.468 58.424 1.044 1
1 637 . 11 1 1 A 60 60 ARG CB C 60 29.732 29.277 0.455 1
1 640 . 11 1 1 A 61 61 ASN HA H 61 4.332 4.258 0.074 1
1 645 . 11 1 1 A 61 61 ASN C C 61 177.497 177.976 -0.479 1
1 646 . 11 1 1 A 61 61 ASN CA C 61 56.212 56.411 -0.199 1
1 647 . 11 1 1 A 61 61 ASN CB C 61 37.142 37.965 -0.823 1
1 649 . 11 1 1 A 62 62 THR H H 62 7.076 8.161 -1.085 1
1 650 . 11 1 1 A 62 62 THR HA H 62 3.893 3.857 0.036 1
1 655 . 11 1 1 A 62 62 THR C C 62 176.684 176.135 0.549 1
1 656 . 11 1 1 A 62 62 THR CA C 62 65.025 67.133 -2.108 1
1 657 . 11 1 1 A 62 62 THR CB C 62 68.112 68.651 -0.539 1
1 659 . 11 1 1 A 62 62 THR N N 62 115.050 114.900 0.150 1
1 660 . 11 1 1 A 63 63 MET H H 63 7.149 8.021 -0.872 1
1 661 . 11 1 1 A 63 63 MET HA H 63 2.545 3.104 -0.559 1
1 669 . 11 1 1 A 63 63 MET C C 63 176.978 177.615 -0.637 1
1 670 . 11 1 1 A 63 63 MET CA C 63 58.791 57.603 1.188 1
1 671 . 11 1 1 A 63 63 MET CB C 63 31.556 31.826 -0.270 1
1 674 . 11 1 1 A 63 63 MET N N 63 122.700 119.868 2.832 1
1 675 . 11 1 1 A 64 64 ALA H H 64 8.383 8.496 -0.113 1
1 676 . 11 1 1 A 64 64 ALA HA H 64 3.944 3.961 -0.017 1
1 680 . 11 1 1 A 64 64 ALA C C 64 179.879 180.073 -0.194 1
1 681 . 11 1 1 A 64 64 ALA CA C 64 55.324 55.350 -0.026 1
1 682 . 11 1 1 A 64 64 ALA CB C 64 18.033 18.500 -0.467 1
1 683 . 11 1 1 A 64 64 ALA N N 64 122.001 121.310 0.691 1
1 684 . 11 1 1 A 65 65 ARG H H 65 7.574 8.147 -0.573 1
1 685 . 11 1 1 A 65 65 ARG HA H 65 4.139 4.232 -0.093 1
1 692 . 11 1 1 A 65 65 ARG C C 65 178.946 179.084 -0.138 1
1 693 . 11 1 1 A 65 65 ARG CA C 65 58.182 59.281 -1.099 1
1 694 . 11 1 1 A 65 65 ARG CB C 65 30.153 29.742 0.411 1
1 697 . 11 1 1 A 65 65 ARG N N 65 116.551 117.780 -1.229 1
1 698 . 11 1 1 A 66 66 HIS H H 66 7.455 7.831 -0.376 1
1 699 . 11 1 1 A 66 66 HIS HA H 66 4.271 4.287 -0.016 1
1 704 . 11 1 1 A 66 66 HIS C C 66 177.633 176.849 0.784 1
1 705 . 11 1 1 A 66 66 HIS CA C 66 59.046 59.738 -0.692 1
1 706 . 11 1 1 A 66 66 HIS CB C 66 27.820 29.258 -1.438 1
1 709 . 11 1 1 A 66 66 HIS N N 66 118.483 120.043 -1.560 1
1 710 . 11 1 1 A 67 67 ALA H H 67 8.869 8.109 0.760 1
1 711 . 11 1 1 A 67 67 ALA HA H 67 3.968 3.762 0.206 1
1 715 . 11 1 1 A 67 67 ALA C C 67 179.374 179.437 -0.063 1
1 716 . 11 1 1 A 67 67 ALA CA C 67 55.186 55.002 0.184 1
1 717 . 11 1 1 A 67 67 ALA CB C 67 18.851 18.276 0.575 1
1 718 . 11 1 1 A 67 67 ALA N N 67 122.114 120.693 1.421 1
1 719 . 11 1 1 A 68 68 ASP H H 68 7.476 7.773 -0.297 1
1 720 . 11 1 1 A 68 68 ASP HA H 68 4.401 4.208 0.193 1
1 723 . 11 1 1 A 68 68 ASP C C 68 176.580 178.778 -2.198 1
1 724 . 11 1 1 A 68 68 ASP CA C 68 56.772 57.596 -0.824 1
1 725 . 11 1 1 A 68 68 ASP CB C 68 40.945 40.204 0.741 1
1 726 . 11 1 1 A 68 68 ASP N N 68 116.466 119.244 -2.778 1
1 727 . 11 1 1 A 69 69 ASN H H 69 7.227 7.545 -0.318 1
1 728 . 11 1 1 A 69 69 ASN HA H 69 4.905 4.579 0.326 1
1 733 . 11 1 1 A 69 69 ASN C C 69 173.603 175.480 -1.877 1
1 734 . 11 1 1 A 69 69 ASN CA C 69 52.518 55.072 -2.554 1
1 735 . 11 1 1 A 69 69 ASN CB C 69 40.657 38.410 2.247 1
1 736 . 11 1 1 A 69 69 ASN N N 69 114.158 115.227 -1.069 1
1 738 . 11 1 1 A 70 70 CYS H H 70 7.201 7.450 -0.249 1
1 739 . 11 1 1 A 70 70 CYS HA H 70 3.902 4.296 -0.394 1
1 742 . 11 1 1 A 70 70 CYS C C 70 175.424 174.109 1.315 1
1 743 . 11 1 1 A 70 70 CYS CA C 70 61.195 58.858 2.337 1
1 744 . 11 1 1 A 70 70 CYS CB C 70 29.288 28.758 0.530 1
1 745 . 11 1 1 A 70 70 CYS N N 70 124.154 118.210 5.944 1
1 746 . 11 1 1 A 71 71 ALA H H 71 8.783 8.917 -0.134 1
1 747 . 11 1 1 A 71 71 ALA HA H 71 4.562 4.512 0.050 1
1 751 . 11 1 1 A 71 71 ALA C C 71 177.513 177.037 0.476 1
1 752 . 11 1 1 A 71 71 ALA CA C 71 51.926 52.477 -0.551 1
1 753 . 11 1 1 A 71 71 ALA CB C 71 19.698 21.456 -1.758 1
1 754 . 11 1 1 A 71 71 ALA N N 71 131.493 125.004 6.489 1
1 755 . 11 1 1 A 72 72 GLY H H 72 8.645 7.349 1.296 1
1 756 . 11 1 1 A 72 72 GLY HA2 H 72 4.469 4.099 0.370 1
1 757 . 11 1 1 A 72 72 GLY HA3 H 72 3.628 4.107 -0.479 1
1 758 . 11 1 1 A 72 72 GLY C C 72 171.320 173.887 -2.567 1
1 759 . 11 1 1 A 72 72 GLY CA C 72 44.286 45.108 -0.822 1
1 760 . 11 1 1 A 72 72 GLY N N 72 110.083 102.713 7.370 1
1 761 . 11 1 1 A 73 73 PRO HA H 73 4.470 4.549 -0.079 1
1 768 . 11 1 1 A 73 73 PRO C C 73 176.905 175.536 1.369 1
1 769 . 11 1 1 A 73 73 PRO CA C 73 63.706 63.655 0.051 1
1 770 . 11 1 1 A 73 73 PRO CB C 73 32.344 31.459 0.885 1
1 773 . 11 1 1 A 74 74 ASP H H 74 8.506 7.739 0.767 1
1 774 . 11 1 1 A 74 74 ASP HA H 74 4.659 5.102 -0.443 1
1 777 . 11 1 1 A 74 74 ASP C C 74 176.869 175.371 1.498 1
1 778 . 11 1 1 A 74 74 ASP CA C 74 54.617 53.181 1.436 1
1 779 . 11 1 1 A 74 74 ASP CB C 74 41.335 42.569 -1.234 1
1 780 . 11 1 1 A 74 74 ASP N N 74 120.155 118.917 1.238 1
1 781 . 11 1 1 A 75 75 GLY H H 75 8.257 8.359 -0.102 1
1 782 . 11 1 1 A 75 75 GLY HA2 H 75 4.072 4.105 -0.033 1
1 783 . 11 1 1 A 75 75 GLY HA3 H 75 3.965 4.110 -0.145 1
1 784 . 11 1 1 A 75 75 GLY C C 75 174.256 173.148 1.108 1
1 785 . 11 1 1 A 75 75 GLY CA C 75 45.653 44.305 1.348 1
1 786 . 11 1 1 A 75 75 GLY N N 75 108.913 111.988 -3.075 1
1 787 . 11 1 1 A 76 76 VAL H H 76 8.079 8.194 -0.115 1
1 788 . 11 1 1 A 76 76 VAL HA H 76 4.169 4.531 -0.362 1
1 796 . 11 1 1 A 76 76 VAL C C 76 176.347 174.943 1.404 1
1 797 . 11 1 1 A 76 76 VAL CA C 76 62.295 60.850 1.445 1
1 798 . 11 1 1 A 76 76 VAL CB C 76 32.871 33.588 -0.717 1
1 801 . 11 1 1 A 76 76 VAL N N 76 119.508 117.113 2.395 1
1 802 . 11 1 1 A 77 77 GLU H H 77 8.619 9.188 -0.569 1
1 803 . 11 1 1 A 77 77 GLU HA H 77 4.310 5.101 -0.791 1
1 808 . 11 1 1 A 77 77 GLU C C 77 177.046 174.547 2.499 1
1 809 . 11 1 1 A 77 77 GLU CA C 77 56.966 54.338 2.628 1
1 810 . 11 1 1 A 77 77 GLU CB C 77 30.318 33.605 -3.287 1
1 812 . 11 1 1 A 77 77 GLU N N 77 125.001 117.650 7.351 1
1 813 . 11 1 1 A 78 78 GLY H H 78 8.446 8.560 -0.114 1
1 814 . 11 1 1 A 78 78 GLY HA2 H 78 3.987 4.376 -0.389 1
1 815 . 11 1 1 A 78 78 GLY HA3 H 78 3.987 4.377 -0.390 1
1 816 . 11 1 1 A 78 78 GLY C C 78 174.238 171.600 2.638 1
1 817 . 11 1 1 A 78 78 GLY CA C 78 45.283 44.454 0.829 1
1 818 . 11 1 1 A 78 78 GLY N N 78 110.357 107.509 2.848 1
1 819 . 11 1 1 A 79 79 GLU H H 79 8.313 8.544 -0.231 1
1 820 . 11 1 1 A 79 79 GLU HA H 79 4.309 4.863 -0.554 1
1 825 . 11 1 1 A 79 79 GLU C C 79 176.509 175.939 0.570 1
1 826 . 11 1 1 A 79 79 GLU CA C 79 56.755 55.231 1.524 1
1 827 . 11 1 1 A 79 79 GLU CB C 79 30.317 30.676 -0.359 1
1 829 . 11 1 1 A 79 79 GLU N N 79 120.638 120.759 -0.121 1
1 830 . 11 1 1 A 80 80 ASN H H 80 8.588 8.714 -0.126 1
1 831 . 11 1 1 A 80 80 ASN HA H 80 4.801 4.763 0.038 1
1 834 . 11 1 1 A 80 80 ASN C C 80 175.202 175.223 -0.021 1
1 835 . 11 1 1 A 80 80 ASN CA C 80 53.336 52.449 0.887 1
1 836 . 11 1 1 A 80 80 ASN CB C 80 39.051 39.165 -0.114 1
1 837 . 11 1 1 A 80 80 ASN N N 80 119.808 124.298 -4.490 1
1 838 . 11 1 1 A 81 81 SER H H 81 8.322 8.917 -0.595 1
1 839 . 11 1 1 A 81 81 SER HA H 81 4.517 4.112 0.405 1
1 842 . 11 1 1 A 81 81 SER C C 81 174.643 174.082 0.561 1
1 843 . 11 1 1 A 81 81 SER CA C 81 58.499 59.272 -0.773 1
1 844 . 11 1 1 A 81 81 SER CB C 81 64.056 62.081 1.975 1
1 845 . 11 1 1 A 81 81 SER N N 81 116.318 115.364 0.954 1
1 846 . 11 1 1 A 82 82 GLY H H 82 8.303 7.820 0.483 1
1 847 . 11 1 1 A 82 82 GLY HA2 H 82 4.170 4.071 0.099 1
1 848 . 11 1 1 A 82 82 GLY HA3 H 82 4.125 4.074 0.051 1
1 849 . 11 1 1 A 82 82 GLY C C 82 171.855 174.627 -2.772 1
1 850 . 11 1 1 A 82 82 GLY CA C 82 44.719 44.466 0.253 1
1 851 . 11 1 1 A 82 82 GLY N N 82 110.706 109.584 1.122 1
1 852 . 11 1 1 A 83 83 PRO HA H 83 4.498 4.366 0.132 1
1 859 . 11 1 1 A 83 83 PRO C C 83 177.459 177.200 0.259 1
1 860 . 11 1 1 A 83 83 PRO CA C 83 63.274 65.175 -1.901 1
1 861 . 11 1 1 A 83 83 PRO CB C 83 32.254 31.492 0.762 1
1 864 . 11 1 1 A 84 84 SER H H 84 8.541 8.095 0.446 1
1 865 . 11 1 1 A 84 84 SER HA H 84 4.508 4.216 0.292 1
1 868 . 11 1 1 A 84 84 SER C C 84 174.744 174.240 0.504 1
1 869 . 11 1 1 A 84 84 SER CA C 84 58.412 59.069 -0.657 1
1 870 . 11 1 1 A 84 84 SER CB C 84 64.056 61.644 2.412 1
1 871 . 11 1 1 A 84 84 SER N N 84 116.449 111.426 5.023 1
1 872 . 11 1 1 A 85 85 SER H H 85 8.353 8.035 0.318 1
1 873 . 11 1 1 A 85 85 SER HA H 85 4.517 4.143 0.374 1
1 876 . 11 1 1 A 85 85 SER C C 85 173.953 174.913 -0.960 1
1 877 . 11 1 1 A 85 85 SER CA C 85 58.492 61.040 -2.548 1
1 878 . 11 1 1 A 85 85 SER CB C 85 64.138 63.245 0.893 1
1 879 . 11 1 1 A 85 85 SER N N 85 117.940 115.429 2.511 1
1 1 . 12 1 1 A 8 8 ARG HA H 8 4.432 4.469 -0.037 1
1 7 . 12 1 1 A 8 8 ARG CA C 8 56.069 56.585 -0.516 1
1 8 . 12 1 1 A 8 8 ARG CB C 8 30.974 30.518 0.456 1
1 14 . 12 1 1 A 9 9 THR CB C 9 69.816 70.223 -0.407 1
1 16 . 12 1 1 A 10 10 HIS HA H 10 4.730 5.068 -0.338 1
1 21 . 12 1 1 A 10 10 HIS CA C 10 56.345 54.728 1.617 1
1 22 . 12 1 1 A 10 10 HIS CB C 10 31.058 31.841 -0.783 1
1 28 . 12 1 1 A 11 11 THR CB C 11 69.816 70.891 -1.075 1
1 30 . 12 1 1 A 12 12 GLY HA2 H 12 3.978 4.124 -0.146 1
1 31 . 12 1 1 A 12 12 GLY HA3 H 12 3.978 4.171 -0.193 1
1 32 . 12 1 1 A 12 12 GLY CA C 12 45.442 46.010 -0.568 1
1 33 . 12 1 1 A 13 13 GLU H H 13 8.243 8.668 -0.425 1
1 34 . 12 1 1 A 13 13 GLU HA H 13 4.235 4.630 -0.395 1
1 39 . 12 1 1 A 13 13 GLU CA C 13 56.898 55.788 1.110 1
1 40 . 12 1 1 A 13 13 GLU CB C 13 30.495 28.906 1.589 1
1 42 . 12 1 1 A 13 13 GLU N N 13 120.364 118.403 1.961 1
1 43 . 12 1 1 A 14 14 LYS H H 14 8.276 7.457 0.819 1
1 44 . 12 1 1 A 14 14 LYS HA H 14 4.528 4.912 -0.384 1
1 53 . 12 1 1 A 14 14 LYS CA C 14 54.009 52.623 1.386 1
1 54 . 12 1 1 A 14 14 LYS CB C 14 32.667 34.573 -1.906 1
1 58 . 12 1 1 A 14 14 LYS N N 14 121.981 124.005 -2.024 1
1 59 . 12 1 1 A 15 15 PRO HA H 15 4.347 4.370 -0.023 1
1 66 . 12 1 1 A 15 15 PRO CA C 15 63.237 64.735 -1.498 1
1 67 . 12 1 1 A 15 15 PRO CB C 15 32.365 31.764 0.601 1
1 70 . 12 1 1 A 16 16 TYR H H 16 8.234 7.927 0.307 1
1 71 . 12 1 1 A 16 16 TYR HA H 16 4.508 4.718 -0.210 1
1 78 . 12 1 1 A 16 16 TYR C C 16 174.453 174.919 -0.466 1
1 79 . 12 1 1 A 16 16 TYR CA C 16 58.076 57.585 0.491 1
1 80 . 12 1 1 A 16 16 TYR CB C 16 38.346 37.877 0.469 1
1 85 . 12 1 1 A 16 16 TYR N N 16 118.751 117.812 0.939 1
1 86 . 12 1 1 A 17 17 ALA H H 17 8.567 8.987 -0.420 1
1 87 . 12 1 1 A 17 17 ALA HA H 17 4.754 5.223 -0.469 1
1 91 . 12 1 1 A 17 17 ALA C C 17 176.249 177.009 -0.760 1
1 92 . 12 1 1 A 17 17 ALA CA C 17 51.274 50.595 0.679 1
1 93 . 12 1 1 A 17 17 ALA CB C 17 20.625 20.686 -0.061 1
1 94 . 12 1 1 A 17 17 ALA N N 17 127.897 128.040 -0.143 1
1 95 . 12 1 1 A 18 18 CYS H H 18 8.464 8.850 -0.386 1
1 96 . 12 1 1 A 18 18 CYS HA H 18 4.538 4.405 0.133 1
1 99 . 12 1 1 A 18 18 CYS C C 18 175.739 175.548 0.191 1
1 100 . 12 1 1 A 18 18 CYS CA C 18 60.966 60.132 0.834 1
1 101 . 12 1 1 A 18 18 CYS CB C 18 29.435 28.802 0.633 1
1 102 . 12 1 1 A 18 18 CYS N N 18 125.366 123.443 1.923 1
1 103 . 12 1 1 A 19 19 SER H H 19 8.439 9.072 -0.633 1
1 104 . 12 1 1 A 19 19 SER HA H 19 4.426 4.246 0.180 1
1 107 . 12 1 1 A 19 19 SER C C 19 175.890 176.357 -0.467 1
1 108 . 12 1 1 A 19 19 SER CA C 19 60.085 62.260 -2.175 1
1 109 . 12 1 1 A 19 19 SER CB C 19 64.097 63.688 0.409 1
1 110 . 12 1 1 A 19 19 SER N N 19 121.912 122.470 -0.558 1
1 111 . 12 1 1 A 20 20 HIS H H 20 9.949 8.466 1.483 1
1 112 . 12 1 1 A 20 20 HIS HA H 20 4.579 4.371 0.208 1
1 117 . 12 1 1 A 20 20 HIS C C 20 174.670 175.640 -0.970 1
1 118 . 12 1 1 A 20 20 HIS CA C 20 57.354 58.288 -0.934 1
1 119 . 12 1 1 A 20 20 HIS CB C 20 30.787 29.374 1.413 1
1 122 . 12 1 1 A 20 20 HIS N N 20 126.154 118.641 7.513 1
1 123 . 12 1 1 A 21 21 CYS H H 21 7.972 8.056 -0.084 1
1 124 . 12 1 1 A 21 21 CYS HA H 21 4.947 4.849 0.098 1
1 127 . 12 1 1 A 21 21 CYS C C 21 172.879 174.364 -1.485 1
1 128 . 12 1 1 A 21 21 CYS CA C 21 58.891 56.727 2.164 1
1 129 . 12 1 1 A 21 21 CYS CB C 21 29.766 30.327 -0.561 1
1 130 . 12 1 1 A 21 21 CYS N N 21 119.638 114.815 4.823 1
1 131 . 12 1 1 A 22 22 ASP H H 22 8.167 8.711 -0.544 1
1 132 . 12 1 1 A 22 22 ASP HA H 22 4.668 4.865 -0.197 1
1 135 . 12 1 1 A 22 22 ASP C C 22 176.857 175.959 0.898 1
1 136 . 12 1 1 A 22 22 ASP CA C 22 54.587 53.030 1.557 1
1 137 . 12 1 1 A 22 22 ASP CB C 22 40.758 41.290 -0.532 1
1 138 . 12 1 1 A 22 22 ASP N N 22 115.180 121.068 -5.888 1
1 139 . 12 1 1 A 23 23 LYS H H 23 8.407 7.226 1.181 1
1 140 . 12 1 1 A 23 23 LYS HA H 23 4.085 4.338 -0.253 1
1 148 . 12 1 1 A 23 23 LYS C C 23 175.732 175.925 -0.193 1
1 149 . 12 1 1 A 23 23 LYS CA C 23 57.537 55.581 1.956 1
1 150 . 12 1 1 A 23 23 LYS CB C 23 33.593 33.835 -0.242 1
1 154 . 12 1 1 A 23 23 LYS N N 23 122.302 119.925 2.377 1
1 155 . 12 1 1 A 24 24 THR H H 24 7.462 8.404 -0.942 1
1 156 . 12 1 1 A 24 24 THR HA H 24 5.018 5.500 -0.482 1
1 161 . 12 1 1 A 24 24 THR C C 24 173.047 172.703 0.344 1
1 162 . 12 1 1 A 24 24 THR CA C 24 59.500 59.298 0.202 1
1 163 . 12 1 1 A 24 24 THR CB C 24 71.795 72.344 -0.549 1
1 165 . 12 1 1 A 24 24 THR N N 24 110.405 111.759 -1.354 1
1 166 . 12 1 1 A 25 25 PHE H H 25 8.750 8.808 -0.058 1
1 167 . 12 1 1 A 25 25 PHE HA H 25 4.886 4.907 -0.021 1
1 175 . 12 1 1 A 25 25 PHE C C 25 175.982 175.429 0.553 1
1 176 . 12 1 1 A 25 25 PHE CA C 25 57.301 56.491 0.810 1
1 177 . 12 1 1 A 25 25 PHE CB C 25 44.782 43.416 1.366 1
1 183 . 12 1 1 A 25 25 PHE N N 25 116.161 117.945 -1.784 1
1 184 . 12 1 1 A 26 26 ARG HA H 26 4.550 4.347 0.203 1
1 191 . 12 1 1 A 26 26 ARG C C 26 175.820 175.716 0.104 1
1 192 . 12 1 1 A 26 26 ARG CA C 26 57.830 58.311 -0.481 1
1 193 . 12 1 1 A 26 26 ARG CB C 26 31.465 30.757 0.708 1
1 196 . 12 1 1 A 27 27 GLN H H 27 7.052 7.664 -0.612 1
1 197 . 12 1 1 A 27 27 GLN HA H 27 4.820 4.359 0.461 1
1 204 . 12 1 1 A 27 27 GLN C C 27 175.929 175.531 0.398 1
1 205 . 12 1 1 A 27 27 GLN CA C 27 53.971 55.031 -1.060 1
1 206 . 12 1 1 A 27 27 GLN CB C 27 32.968 29.525 3.443 1
1 208 . 12 1 1 A 27 27 GLN N N 27 111.833 117.709 -5.876 1
1 210 . 12 1 1 A 28 28 LYS H H 28 8.616 8.244 0.372 1
1 211 . 12 1 1 A 28 28 LYS HA H 28 3.013 3.191 -0.178 1
1 220 . 12 1 1 A 28 28 LYS C C 28 177.891 177.890 0.001 1
1 221 . 12 1 1 A 28 28 LYS CA C 28 59.351 59.859 -0.508 1
1 222 . 12 1 1 A 28 28 LYS CB C 28 31.901 32.018 -0.117 1
1 226 . 12 1 1 A 28 28 LYS N N 28 127.969 126.366 1.603 1
1 227 . 12 1 1 A 29 29 GLN H H 29 9.039 7.678 1.361 1
1 228 . 12 1 1 A 29 29 GLN HA H 29 4.110 3.915 0.195 1
1 235 . 12 1 1 A 29 29 GLN C C 29 178.275 177.995 0.280 1
1 236 . 12 1 1 A 29 29 GLN CA C 29 59.073 58.712 0.361 1
1 237 . 12 1 1 A 29 29 GLN CB C 29 27.673 28.524 -0.851 1
1 239 . 12 1 1 A 29 29 GLN N N 29 116.426 118.526 -2.100 1
1 241 . 12 1 1 A 30 30 LEU H H 30 6.687 7.749 -1.062 1
1 242 . 12 1 1 A 30 30 LEU HA H 30 4.105 3.820 0.285 1
1 252 . 12 1 1 A 30 30 LEU C C 30 179.455 179.162 0.293 1
1 253 . 12 1 1 A 30 30 LEU CA C 30 56.878 57.689 -0.811 1
1 254 . 12 1 1 A 30 30 LEU CB C 30 41.552 41.647 -0.095 1
1 258 . 12 1 1 A 30 30 LEU N N 30 116.469 119.602 -3.133 1
1 259 . 12 1 1 A 31 31 LEU H H 31 6.875 7.475 -0.600 1
1 260 . 12 1 1 A 31 31 LEU HA H 31 3.174 2.279 0.895 1
1 270 . 12 1 1 A 31 31 LEU C C 31 177.599 177.996 -0.397 1
1 271 . 12 1 1 A 31 31 LEU CA C 31 57.829 57.129 0.700 1
1 272 . 12 1 1 A 31 31 LEU CB C 31 39.945 40.566 -0.621 1
1 276 . 12 1 1 A 31 31 LEU N N 31 122.863 119.625 3.238 1
1 277 . 12 1 1 A 32 32 ASP H H 32 8.429 8.085 0.344 1
1 278 . 12 1 1 A 32 32 ASP HA H 32 4.356 4.215 0.141 1
1 281 . 12 1 1 A 32 32 ASP C C 32 179.142 178.124 1.018 1
1 282 . 12 1 1 A 32 32 ASP CA C 32 57.830 57.350 0.480 1
1 283 . 12 1 1 A 32 32 ASP CB C 32 39.978 40.995 -1.017 1
1 284 . 12 1 1 A 32 32 ASP N N 32 120.350 119.051 1.299 1
1 285 . 12 1 1 A 33 33 MET H H 33 7.738 8.417 -0.679 1
1 286 . 12 1 1 A 33 33 MET HA H 33 4.167 3.772 0.395 1
1 294 . 12 1 1 A 33 33 MET C C 33 178.463 178.020 0.443 1
1 295 . 12 1 1 A 33 33 MET CA C 33 58.454 57.924 0.530 1
1 296 . 12 1 1 A 33 33 MET CB C 33 32.924 32.200 0.724 1
1 299 . 12 1 1 A 33 33 MET N N 33 118.109 118.551 -0.442 1
1 300 . 12 1 1 A 34 34 HIS H H 34 7.632 8.017 -0.385 1
1 301 . 12 1 1 A 34 34 HIS HA H 34 4.396 4.278 0.118 1
1 306 . 12 1 1 A 34 34 HIS C C 34 176.258 176.650 -0.392 1
1 307 . 12 1 1 A 34 34 HIS CA C 34 59.715 59.165 0.550 1
1 308 . 12 1 1 A 34 34 HIS CB C 34 28.594 30.059 -1.465 1
1 311 . 12 1 1 A 34 34 HIS N N 34 120.242 120.872 -0.630 1
1 312 . 12 1 1 A 35 35 PHE H H 35 9.373 7.828 1.545 1
1 313 . 12 1 1 A 35 35 PHE HA H 35 3.726 3.951 -0.225 1
1 321 . 12 1 1 A 35 35 PHE C C 35 178.043 177.187 0.856 1
1 322 . 12 1 1 A 35 35 PHE CA C 35 62.870 61.255 1.615 1
1 323 . 12 1 1 A 35 35 PHE CB C 35 39.846 39.119 0.727 1
1 329 . 12 1 1 A 35 35 PHE N N 35 121.691 120.290 1.401 1
1 330 . 12 1 1 A 36 36 LYS H H 36 7.861 7.933 -0.072 1
1 331 . 12 1 1 A 36 36 LYS HA H 36 4.139 4.445 -0.306 1
1 340 . 12 1 1 A 36 36 LYS C C 36 176.843 178.430 -1.587 1
1 341 . 12 1 1 A 36 36 LYS CA C 36 58.198 58.462 -0.264 1
1 342 . 12 1 1 A 36 36 LYS CB C 36 32.906 32.286 0.620 1
1 346 . 12 1 1 A 36 36 LYS N N 36 118.022 117.928 0.094 1
1 347 . 12 1 1 A 37 37 ARG H H 37 7.298 7.802 -0.504 1
1 348 . 12 1 1 A 37 37 ARG HA H 37 3.717 4.363 -0.646 1
1 355 . 12 1 1 A 37 37 ARG C C 37 177.872 178.314 -0.442 1
1 356 . 12 1 1 A 37 37 ARG CA C 37 57.874 58.202 -0.328 1
1 357 . 12 1 1 A 37 37 ARG CB C 37 30.619 30.899 -0.280 1
1 360 . 12 1 1 A 37 37 ARG N N 37 114.740 120.414 -5.674 1
1 361 . 12 1 1 A 38 38 TYR H H 38 7.779 8.400 -0.621 1
1 362 . 12 1 1 A 38 38 TYR HA H 38 4.146 4.133 0.013 1
1 369 . 12 1 1 A 38 38 TYR C C 38 176.160 178.539 -2.379 1
1 370 . 12 1 1 A 38 38 TYR CA C 38 59.941 60.136 -0.195 1
1 371 . 12 1 1 A 38 38 TYR CB C 38 38.516 37.920 0.596 1
1 376 . 12 1 1 A 38 38 TYR N N 38 112.257 118.807 -6.550 1
1 377 . 12 1 1 A 39 39 HIS H H 39 7.679 7.691 -0.012 1
1 378 . 12 1 1 A 39 39 HIS HA H 39 4.943 4.395 0.548 1
1 383 . 12 1 1 A 39 39 HIS C C 39 173.845 175.159 -1.314 1
1 384 . 12 1 1 A 39 39 HIS CA C 39 54.045 58.220 -4.175 1
1 385 . 12 1 1 A 39 39 HIS CB C 39 29.490 29.082 0.408 1
1 388 . 12 1 1 A 39 39 HIS N N 39 114.679 116.565 -1.886 1
1 389 . 12 1 1 A 40 40 ASP H H 40 7.317 7.360 -0.043 1
1 390 . 12 1 1 A 40 40 ASP HA H 40 4.800 4.952 -0.152 1
1 393 . 12 1 1 A 40 40 ASP C C 40 175.035 174.964 0.071 1
1 394 . 12 1 1 A 40 40 ASP CA C 40 51.697 50.539 1.158 1
1 395 . 12 1 1 A 40 40 ASP CB C 40 42.630 43.672 -1.042 1
1 396 . 12 1 1 A 40 40 ASP N N 40 119.125 117.985 1.140 1
1 397 . 12 1 1 A 41 41 PRO HA H 41 4.552 4.379 0.173 1
1 404 . 12 1 1 A 41 41 PRO C C 41 177.331 178.076 -0.745 1
1 405 . 12 1 1 A 41 41 PRO CA C 41 64.019 64.023 -0.004 1
1 406 . 12 1 1 A 41 41 PRO CB C 41 32.235 31.906 0.329 1
1 409 . 12 1 1 A 42 42 ASN H H 42 8.484 9.069 -0.585 1
1 410 . 12 1 1 A 42 42 ASN HA H 42 4.703 4.546 0.157 1
1 415 . 12 1 1 A 42 42 ASN C C 42 174.879 176.546 -1.667 1
1 416 . 12 1 1 A 42 42 ASN CA C 42 53.371 56.481 -3.110 1
1 417 . 12 1 1 A 42 42 ASN CB C 42 39.009 38.462 0.547 1
1 418 . 12 1 1 A 42 42 ASN N N 42 116.107 116.699 -0.592 1
1 420 . 12 1 1 A 43 43 PHE H H 43 7.741 7.702 0.039 1
1 421 . 12 1 1 A 43 43 PHE HA H 43 4.448 4.479 -0.031 1
1 429 . 12 1 1 A 43 43 PHE CA C 43 58.640 59.730 -1.090 1
1 430 . 12 1 1 A 43 43 PHE CB C 43 40.203 39.856 0.347 1
1 436 . 12 1 1 A 43 43 PHE N N 43 121.284 118.781 2.503 1
1 437 . 12 1 1 A 44 44 VAL H H 44 7.718 8.227 -0.509 1
1 438 . 12 1 1 A 44 44 VAL HA H 44 4.221 4.728 -0.507 1
1 446 . 12 1 1 A 44 44 VAL C C 44 173.190 173.660 -0.470 1
1 447 . 12 1 1 A 44 44 VAL CA C 44 59.177 58.562 0.615 1
1 448 . 12 1 1 A 44 44 VAL CB C 44 33.260 34.943 -1.683 1
1 451 . 12 1 1 A 44 44 VAL N N 44 126.832 126.273 0.559 1
1 452 . 12 1 1 A 45 45 PRO HA H 45 4.114 4.673 -0.559 1
1 459 . 12 1 1 A 45 45 PRO C C 45 176.031 176.644 -0.613 1
1 460 . 12 1 1 A 45 45 PRO CA C 45 62.732 62.648 0.084 1
1 461 . 12 1 1 A 45 45 PRO CB C 45 32.197 32.428 -0.231 1
1 464 . 12 1 1 A 46 46 ALA H H 46 8.199 8.391 -0.192 1
1 465 . 12 1 1 A 46 46 ALA HA H 46 4.161 4.518 -0.357 1
1 469 . 12 1 1 A 46 46 ALA C C 46 176.631 176.725 -0.094 1
1 470 . 12 1 1 A 46 46 ALA CA C 46 52.105 52.267 -0.162 1
1 471 . 12 1 1 A 46 46 ALA CB C 46 19.315 19.553 -0.238 1
1 472 . 12 1 1 A 46 46 ALA N N 46 124.122 125.260 -1.138 1
1 473 . 12 1 1 A 47 47 ALA H H 47 7.755 8.660 -0.905 1
1 474 . 12 1 1 A 47 47 ALA HA H 47 4.218 5.181 -0.963 1
1 478 . 12 1 1 A 47 47 ALA C C 47 176.322 175.549 0.773 1
1 479 . 12 1 1 A 47 47 ALA CA C 47 52.140 50.560 1.580 1
1 480 . 12 1 1 A 47 47 ALA CB C 47 20.283 20.229 0.054 1
1 481 . 12 1 1 A 47 47 ALA N N 47 121.689 126.939 -5.250 1
1 482 . 12 1 1 A 48 48 PHE H H 48 8.323 9.384 -1.061 1
1 483 . 12 1 1 A 48 48 PHE HA H 48 4.782 5.157 -0.375 1
1 491 . 12 1 1 A 48 48 PHE C C 48 174.258 174.614 -0.356 1
1 492 . 12 1 1 A 48 48 PHE CA C 48 57.108 56.730 0.378 1
1 493 . 12 1 1 A 48 48 PHE CB C 48 40.615 40.545 0.070 1
1 499 . 12 1 1 A 48 48 PHE N N 48 118.583 123.028 -4.445 1
1 500 . 12 1 1 A 49 49 VAL H H 49 8.584 9.071 -0.487 1
1 501 . 12 1 1 A 49 49 VAL HA H 49 4.829 4.981 -0.152 1
1 509 . 12 1 1 A 49 49 VAL C C 49 175.667 175.852 -0.185 1
1 510 . 12 1 1 A 49 49 VAL CA C 49 60.508 61.519 -1.011 1
1 511 . 12 1 1 A 49 49 VAL CB C 49 35.158 33.298 1.860 1
1 514 . 12 1 1 A 49 49 VAL N N 49 123.555 124.297 -0.742 1
1 515 . 12 1 1 A 50 50 CYS H H 50 9.170 9.001 0.169 1
1 516 . 12 1 1 A 50 50 CYS HA H 50 4.593 4.548 0.045 1
1 519 . 12 1 1 A 50 50 CYS C C 50 177.661 175.611 2.050 1
1 520 . 12 1 1 A 50 50 CYS CA C 50 59.909 59.315 0.594 1
1 521 . 12 1 1 A 50 50 CYS CB C 50 30.835 28.806 2.029 1
1 522 . 12 1 1 A 50 50 CYS N N 50 128.866 127.529 1.337 1
1 523 . 12 1 1 A 51 51 SER H H 51 9.205 8.542 0.663 1
1 524 . 12 1 1 A 51 51 SER HA H 51 4.271 4.831 -0.560 1
1 527 . 12 1 1 A 51 51 SER C C 51 174.401 175.668 -1.267 1
1 528 . 12 1 1 A 51 51 SER CA C 51 60.890 57.628 3.262 1
1 529 . 12 1 1 A 51 51 SER CB C 51 63.231 64.752 -1.521 1
1 530 . 12 1 1 A 51 51 SER N N 51 128.162 117.441 10.721 1
1 531 . 12 1 1 A 52 52 LYS H H 52 9.118 7.913 1.205 1
1 532 . 12 1 1 A 52 52 LYS HA H 52 4.421 4.368 0.053 1
1 541 . 12 1 1 A 52 52 LYS C C 52 177.831 178.050 -0.219 1
1 542 . 12 1 1 A 52 52 LYS CA C 52 58.535 57.915 0.620 1
1 543 . 12 1 1 A 52 52 LYS CB C 52 34.152 33.247 0.905 1
1 547 . 12 1 1 A 52 52 LYS N N 52 123.970 119.309 4.661 1
1 548 . 12 1 1 A 53 53 CYS H H 53 8.241 8.114 0.127 1
1 549 . 12 1 1 A 53 53 CYS HA H 53 4.999 4.702 0.297 1
1 552 . 12 1 1 A 53 53 CYS C C 53 176.529 175.589 0.940 1
1 553 . 12 1 1 A 53 53 CYS CA C 53 58.587 59.707 -1.120 1
1 554 . 12 1 1 A 53 53 CYS CB C 53 33.353 29.926 3.427 1
1 555 . 12 1 1 A 53 53 CYS N N 53 115.684 114.884 0.800 1
1 556 . 12 1 1 A 54 54 GLY H H 54 8.290 8.159 0.131 1
1 557 . 12 1 1 A 54 54 GLY HA2 H 54 4.226 4.096 0.130 1
1 558 . 12 1 1 A 54 54 GLY HA3 H 54 3.733 4.118 -0.385 1
1 559 . 12 1 1 A 54 54 GLY C C 54 173.761 174.680 -0.919 1
1 560 . 12 1 1 A 54 54 GLY CA C 54 46.147 45.207 0.940 1
1 561 . 12 1 1 A 54 54 GLY N N 54 113.723 110.367 3.356 1
1 562 . 12 1 1 A 55 55 LYS H H 55 8.598 7.417 1.181 1
1 563 . 12 1 1 A 55 55 LYS HA H 55 4.074 4.424 -0.350 1
1 572 . 12 1 1 A 55 55 LYS C C 55 174.748 175.869 -1.121 1
1 573 . 12 1 1 A 55 55 LYS CA C 55 58.270 56.245 2.025 1
1 574 . 12 1 1 A 55 55 LYS CB C 55 33.778 34.485 -0.707 1
1 578 . 12 1 1 A 55 55 LYS N N 55 124.175 120.089 4.086 1
1 579 . 12 1 1 A 56 56 THR H H 56 7.708 8.441 -0.733 1
1 580 . 12 1 1 A 56 56 THR HA H 56 5.028 5.481 -0.453 1
1 585 . 12 1 1 A 56 56 THR C C 56 173.673 173.488 0.185 1
1 586 . 12 1 1 A 56 56 THR CA C 56 60.779 59.371 1.408 1
1 587 . 12 1 1 A 56 56 THR CB C 56 70.823 71.519 -0.696 1
1 589 . 12 1 1 A 56 56 THR N N 56 113.091 111.791 1.300 1
1 590 . 12 1 1 A 57 57 PHE H H 57 8.944 8.769 0.175 1
1 591 . 12 1 1 A 57 57 PHE HA H 57 4.850 4.954 -0.104 1
1 599 . 12 1 1 A 57 57 PHE C C 57 175.764 175.340 0.424 1
1 600 . 12 1 1 A 57 57 PHE CA C 57 56.949 56.768 0.181 1
1 601 . 12 1 1 A 57 57 PHE CB C 57 43.729 43.046 0.683 1
1 607 . 12 1 1 A 57 57 PHE N N 57 119.958 119.584 0.374 1
1 608 . 12 1 1 A 58 58 THR HA H 58 4.629 4.861 -0.232 1
1 613 . 12 1 1 A 58 58 THR CA C 58 62.738 62.082 0.656 1
1 614 . 12 1 1 A 58 58 THR CB C 58 69.810 68.822 0.988 1
1 616 . 12 1 1 A 59 59 ARG H H 59 7.422 7.675 -0.253 1
1 617 . 12 1 1 A 59 59 ARG HA H 59 4.740 4.514 0.226 1
1 624 . 12 1 1 A 59 59 ARG CA C 59 54.724 54.322 0.402 1
1 625 . 12 1 1 A 59 59 ARG CB C 59 33.659 33.120 0.539 1
1 628 . 12 1 1 A 59 59 ARG N N 59 118.359 120.948 -2.589 1
1 629 . 12 1 1 A 60 60 ARG HA H 60 2.949 2.916 0.033 1
1 636 . 12 1 1 A 60 60 ARG CA C 60 59.468 59.232 0.236 1
1 637 . 12 1 1 A 60 60 ARG CB C 60 29.732 29.457 0.275 1
1 640 . 12 1 1 A 61 61 ASN HA H 61 4.332 4.294 0.038 1
1 645 . 12 1 1 A 61 61 ASN C C 61 177.497 178.089 -0.592 1
1 646 . 12 1 1 A 61 61 ASN CA C 61 56.212 56.161 0.051 1
1 647 . 12 1 1 A 61 61 ASN CB C 61 37.142 38.137 -0.995 1
1 649 . 12 1 1 A 62 62 THR H H 62 7.076 8.023 -0.947 1
1 650 . 12 1 1 A 62 62 THR HA H 62 3.893 3.789 0.104 1
1 655 . 12 1 1 A 62 62 THR C C 62 176.684 175.733 0.951 1
1 656 . 12 1 1 A 62 62 THR CA C 62 65.025 67.097 -2.072 1
1 657 . 12 1 1 A 62 62 THR CB C 62 68.112 68.560 -0.448 1
1 659 . 12 1 1 A 62 62 THR N N 62 115.050 114.813 0.237 1
1 660 . 12 1 1 A 63 63 MET H H 63 7.149 8.307 -1.158 1
1 661 . 12 1 1 A 63 63 MET HA H 63 2.545 2.964 -0.419 1
1 669 . 12 1 1 A 63 63 MET C C 63 176.978 177.670 -0.692 1
1 670 . 12 1 1 A 63 63 MET CA C 63 58.791 58.347 0.444 1
1 671 . 12 1 1 A 63 63 MET CB C 63 31.556 31.579 -0.023 1
1 674 . 12 1 1 A 63 63 MET N N 63 122.700 119.655 3.045 1
1 675 . 12 1 1 A 64 64 ALA H H 64 8.383 8.240 0.143 1
1 676 . 12 1 1 A 64 64 ALA HA H 64 3.944 3.936 0.008 1
1 680 . 12 1 1 A 64 64 ALA C C 64 179.879 179.913 -0.034 1
1 681 . 12 1 1 A 64 64 ALA CA C 64 55.324 55.342 -0.018 1
1 682 . 12 1 1 A 64 64 ALA CB C 64 18.033 18.455 -0.422 1
1 683 . 12 1 1 A 64 64 ALA N N 64 122.001 120.855 1.146 1
1 684 . 12 1 1 A 65 65 ARG H H 65 7.574 7.891 -0.317 1
1 685 . 12 1 1 A 65 65 ARG HA H 65 4.139 3.969 0.170 1
1 692 . 12 1 1 A 65 65 ARG C C 65 178.946 178.302 0.644 1
1 693 . 12 1 1 A 65 65 ARG CA C 65 58.182 59.263 -1.081 1
1 694 . 12 1 1 A 65 65 ARG CB C 65 30.153 29.695 0.458 1
1 697 . 12 1 1 A 65 65 ARG N N 65 116.551 117.989 -1.438 1
1 698 . 12 1 1 A 66 66 HIS H H 66 7.455 8.357 -0.902 1
1 699 . 12 1 1 A 66 66 HIS HA H 66 4.271 4.278 -0.007 1
1 704 . 12 1 1 A 66 66 HIS C C 66 177.633 176.236 1.397 1
1 705 . 12 1 1 A 66 66 HIS CA C 66 59.046 59.626 -0.580 1
1 706 . 12 1 1 A 66 66 HIS CB C 66 27.820 29.409 -1.589 1
1 709 . 12 1 1 A 66 66 HIS N N 66 118.483 119.792 -1.309 1
1 710 . 12 1 1 A 67 67 ALA H H 67 8.869 7.940 0.929 1
1 711 . 12 1 1 A 67 67 ALA HA H 67 3.968 3.624 0.344 1
1 715 . 12 1 1 A 67 67 ALA C C 67 179.374 178.894 0.480 1
1 716 . 12 1 1 A 67 67 ALA CA C 67 55.186 55.087 0.099 1
1 717 . 12 1 1 A 67 67 ALA CB C 67 18.851 18.273 0.578 1
1 718 . 12 1 1 A 67 67 ALA N N 67 122.114 120.422 1.692 1
1 719 . 12 1 1 A 68 68 ASP H H 68 7.476 8.304 -0.828 1
1 720 . 12 1 1 A 68 68 ASP HA H 68 4.401 4.260 0.141 1
1 723 . 12 1 1 A 68 68 ASP C C 68 176.580 177.960 -1.380 1
1 724 . 12 1 1 A 68 68 ASP CA C 68 56.772 57.750 -0.978 1
1 725 . 12 1 1 A 68 68 ASP CB C 68 40.945 40.991 -0.046 1
1 726 . 12 1 1 A 68 68 ASP N N 68 116.466 118.313 -1.847 1
1 727 . 12 1 1 A 69 69 ASN H H 69 7.227 7.437 -0.210 1
1 728 . 12 1 1 A 69 69 ASN HA H 69 4.905 4.752 0.153 1
1 733 . 12 1 1 A 69 69 ASN C C 69 173.603 174.838 -1.235 1
1 734 . 12 1 1 A 69 69 ASN CA C 69 52.518 53.705 -1.187 1
1 735 . 12 1 1 A 69 69 ASN CB C 69 40.657 38.914 1.743 1
1 736 . 12 1 1 A 69 69 ASN N N 69 114.158 114.456 -0.298 1
1 738 . 12 1 1 A 70 70 CYS H H 70 7.201 7.468 -0.267 1
1 739 . 12 1 1 A 70 70 CYS HA H 70 3.902 4.321 -0.419 1
1 742 . 12 1 1 A 70 70 CYS C C 70 175.424 174.154 1.270 1
1 743 . 12 1 1 A 70 70 CYS CA C 70 61.195 59.047 2.148 1
1 744 . 12 1 1 A 70 70 CYS CB C 70 29.288 28.638 0.650 1
1 745 . 12 1 1 A 70 70 CYS N N 70 124.154 120.276 3.878 1
1 746 . 12 1 1 A 71 71 ALA H H 71 8.783 8.871 -0.088 1
1 747 . 12 1 1 A 71 71 ALA HA H 71 4.562 4.457 0.105 1
1 751 . 12 1 1 A 71 71 ALA C C 71 177.513 176.842 0.671 1
1 752 . 12 1 1 A 71 71 ALA CA C 71 51.926 53.088 -1.162 1
1 753 . 12 1 1 A 71 71 ALA CB C 71 19.698 21.135 -1.437 1
1 754 . 12 1 1 A 71 71 ALA N N 71 131.493 125.177 6.316 1
1 755 . 12 1 1 A 72 72 GLY H H 72 8.645 7.276 1.369 1
1 756 . 12 1 1 A 72 72 GLY HA2 H 72 4.469 4.099 0.370 1
1 757 . 12 1 1 A 72 72 GLY HA3 H 72 3.628 4.109 -0.481 1
1 758 . 12 1 1 A 72 72 GLY C C 72 171.320 173.997 -2.677 1
1 759 . 12 1 1 A 72 72 GLY CA C 72 44.286 44.347 -0.061 1
1 760 . 12 1 1 A 72 72 GLY N N 72 110.083 102.637 7.446 1
1 761 . 12 1 1 A 73 73 PRO HA H 73 4.470 4.549 -0.079 1
1 768 . 12 1 1 A 73 73 PRO C C 73 176.905 175.726 1.179 1
1 769 . 12 1 1 A 73 73 PRO CA C 73 63.706 63.801 -0.095 1
1 770 . 12 1 1 A 73 73 PRO CB C 73 32.344 31.638 0.706 1
1 773 . 12 1 1 A 74 74 ASP H H 74 8.506 7.841 0.665 1
1 774 . 12 1 1 A 74 74 ASP HA H 74 4.659 4.829 -0.170 1
1 777 . 12 1 1 A 74 74 ASP C C 74 176.869 175.661 1.208 1
1 778 . 12 1 1 A 74 74 ASP CA C 74 54.617 53.821 0.796 1
1 779 . 12 1 1 A 74 74 ASP CB C 74 41.335 42.355 -1.020 1
1 780 . 12 1 1 A 74 74 ASP N N 74 120.155 118.711 1.444 1
1 781 . 12 1 1 A 75 75 GLY H H 75 8.257 8.317 -0.060 1
1 782 . 12 1 1 A 75 75 GLY HA2 H 75 4.072 4.148 -0.076 1
1 783 . 12 1 1 A 75 75 GLY HA3 H 75 3.965 4.153 -0.188 1
1 784 . 12 1 1 A 75 75 GLY C C 75 174.256 172.138 2.118 1
1 785 . 12 1 1 A 75 75 GLY CA C 75 45.653 43.996 1.657 1
1 786 . 12 1 1 A 75 75 GLY N N 75 108.913 112.189 -3.276 1
1 787 . 12 1 1 A 76 76 VAL H H 76 8.079 8.325 -0.246 1
1 788 . 12 1 1 A 76 76 VAL HA H 76 4.169 4.816 -0.647 1
1 796 . 12 1 1 A 76 76 VAL C C 76 176.347 175.823 0.524 1
1 797 . 12 1 1 A 76 76 VAL CA C 76 62.295 60.216 2.079 1
1 798 . 12 1 1 A 76 76 VAL CB C 76 32.871 33.873 -1.002 1
1 801 . 12 1 1 A 76 76 VAL N N 76 119.508 119.953 -0.445 1
1 802 . 12 1 1 A 77 77 GLU H H 77 8.619 8.613 0.006 1
1 803 . 12 1 1 A 77 77 GLU HA H 77 4.310 4.364 -0.054 1
1 808 . 12 1 1 A 77 77 GLU C C 77 177.046 176.003 1.043 1
1 809 . 12 1 1 A 77 77 GLU CA C 77 56.966 55.799 1.167 1
1 810 . 12 1 1 A 77 77 GLU CB C 77 30.318 30.918 -0.600 1
1 812 . 12 1 1 A 77 77 GLU N N 77 125.001 127.930 -2.929 1
1 813 . 12 1 1 A 78 78 GLY H H 78 8.446 8.477 -0.031 1
1 814 . 12 1 1 A 78 78 GLY HA2 H 78 3.987 4.127 -0.140 1
1 815 . 12 1 1 A 78 78 GLY HA3 H 78 3.987 4.130 -0.143 1
1 816 . 12 1 1 A 78 78 GLY C C 78 174.238 172.092 2.146 1
1 817 . 12 1 1 A 78 78 GLY CA C 78 45.283 45.732 -0.449 1
1 818 . 12 1 1 A 78 78 GLY N N 78 110.357 107.492 2.865 1
1 819 . 12 1 1 A 79 79 GLU H H 79 8.313 9.045 -0.732 1
1 820 . 12 1 1 A 79 79 GLU HA H 79 4.309 5.191 -0.882 1
1 825 . 12 1 1 A 79 79 GLU C C 79 176.509 174.346 2.163 1
1 826 . 12 1 1 A 79 79 GLU CA C 79 56.755 54.459 2.296 1
1 827 . 12 1 1 A 79 79 GLU CB C 79 30.317 33.498 -3.181 1
1 829 . 12 1 1 A 79 79 GLU N N 79 120.638 121.725 -1.087 1
1 830 . 12 1 1 A 80 80 ASN H H 80 8.588 8.865 -0.277 1
1 831 . 12 1 1 A 80 80 ASN HA H 80 4.801 5.430 -0.629 1
1 834 . 12 1 1 A 80 80 ASN C C 80 175.202 173.356 1.846 1
1 835 . 12 1 1 A 80 80 ASN CA C 80 53.336 52.775 0.561 1
1 836 . 12 1 1 A 80 80 ASN CB C 80 39.051 42.674 -3.623 1
1 837 . 12 1 1 A 80 80 ASN N N 80 119.808 119.686 0.122 1
1 838 . 12 1 1 A 81 81 SER H H 81 8.322 8.715 -0.393 1
1 839 . 12 1 1 A 81 81 SER HA H 81 4.517 4.829 -0.312 1
1 842 . 12 1 1 A 81 81 SER C C 81 174.643 172.750 1.893 1
1 843 . 12 1 1 A 81 81 SER CA C 81 58.499 56.810 1.689 1
1 844 . 12 1 1 A 81 81 SER CB C 81 64.056 65.484 -1.428 1
1 845 . 12 1 1 A 81 81 SER N N 81 116.318 118.435 -2.117 1
1 846 . 12 1 1 A 82 82 GLY H H 82 8.303 8.384 -0.081 1
1 847 . 12 1 1 A 82 82 GLY HA2 H 82 4.170 4.092 0.078 1
1 848 . 12 1 1 A 82 82 GLY HA3 H 82 4.125 4.092 0.033 1
1 849 . 12 1 1 A 82 82 GLY C C 82 171.855 174.116 -2.261 1
1 850 . 12 1 1 A 82 82 GLY CA C 82 44.719 46.024 -1.305 1
1 851 . 12 1 1 A 82 82 GLY N N 82 110.706 110.532 0.174 1
1 852 . 12 1 1 A 83 83 PRO HA H 83 4.498 4.450 0.048 1
1 859 . 12 1 1 A 83 83 PRO C C 83 177.459 176.844 0.615 1
1 860 . 12 1 1 A 83 83 PRO CA C 83 63.274 62.512 0.762 1
1 861 . 12 1 1 A 83 83 PRO CB C 83 32.254 33.063 -0.809 1
1 864 . 12 1 1 A 84 84 SER H H 84 8.541 8.768 -0.227 1
1 865 . 12 1 1 A 84 84 SER HA H 84 4.508 4.408 0.100 1
1 868 . 12 1 1 A 84 84 SER C C 84 174.744 174.561 0.183 1
1 869 . 12 1 1 A 84 84 SER CA C 84 58.412 60.897 -2.485 1
1 870 . 12 1 1 A 84 84 SER CB C 84 64.056 63.148 0.908 1
1 871 . 12 1 1 A 84 84 SER N N 84 116.449 116.383 0.066 1
1 872 . 12 1 1 A 85 85 SER H H 85 8.353 7.863 0.490 1
1 873 . 12 1 1 A 85 85 SER HA H 85 4.517 4.158 0.359 1
1 876 . 12 1 1 A 85 85 SER C C 85 173.953 175.233 -1.280 1
1 877 . 12 1 1 A 85 85 SER CA C 85 58.492 59.723 -1.231 1
1 878 . 12 1 1 A 85 85 SER CB C 85 64.138 63.298 0.840 1
1 879 . 12 1 1 A 85 85 SER N N 85 117.940 115.883 2.057 1
1 1 . 13 1 1 A 8 8 ARG HA H 8 4.432 4.263 0.169 1
1 7 . 13 1 1 A 8 8 ARG CA C 8 56.069 56.028 0.041 1
1 8 . 13 1 1 A 8 8 ARG CB C 8 30.974 30.252 0.722 1
1 14 . 13 1 1 A 9 9 THR CB C 9 69.816 72.027 -2.211 1
1 16 . 13 1 1 A 10 10 HIS HA H 10 4.730 5.025 -0.295 1
1 21 . 13 1 1 A 10 10 HIS CA C 10 56.345 54.265 2.080 1
1 22 . 13 1 1 A 10 10 HIS CB C 10 31.058 32.052 -0.994 1
1 28 . 13 1 1 A 11 11 THR CB C 11 69.816 68.976 0.840 1
1 30 . 13 1 1 A 12 12 GLY HA2 H 12 3.978 4.079 -0.101 1
1 31 . 13 1 1 A 12 12 GLY HA3 H 12 3.978 4.083 -0.105 1
1 32 . 13 1 1 A 12 12 GLY CA C 12 45.442 44.531 0.911 1
1 33 . 13 1 1 A 13 13 GLU H H 13 8.243 8.392 -0.149 1
1 34 . 13 1 1 A 13 13 GLU HA H 13 4.235 4.724 -0.489 1
1 39 . 13 1 1 A 13 13 GLU CA C 13 56.898 55.400 1.498 1
1 40 . 13 1 1 A 13 13 GLU CB C 13 30.495 31.498 -1.003 1
1 42 . 13 1 1 A 13 13 GLU N N 13 120.364 122.203 -1.839 1
1 43 . 13 1 1 A 14 14 LYS H H 14 8.276 8.461 -0.185 1
1 44 . 13 1 1 A 14 14 LYS HA H 14 4.528 5.063 -0.535 1
1 53 . 13 1 1 A 14 14 LYS CA C 14 54.009 53.153 0.856 1
1 54 . 13 1 1 A 14 14 LYS CB C 14 32.667 33.306 -0.639 1
1 58 . 13 1 1 A 14 14 LYS N N 14 121.981 127.151 -5.170 1
1 59 . 13 1 1 A 15 15 PRO HA H 15 4.347 4.479 -0.132 1
1 66 . 13 1 1 A 15 15 PRO CA C 15 63.237 64.425 -1.188 1
1 67 . 13 1 1 A 15 15 PRO CB C 15 32.365 31.635 0.730 1
1 70 . 13 1 1 A 16 16 TYR H H 16 8.234 7.475 0.759 1
1 71 . 13 1 1 A 16 16 TYR HA H 16 4.508 4.860 -0.352 1
1 78 . 13 1 1 A 16 16 TYR C C 16 174.453 174.452 0.001 1
1 79 . 13 1 1 A 16 16 TYR CA C 16 58.076 57.070 1.006 1
1 80 . 13 1 1 A 16 16 TYR CB C 16 38.346 38.659 -0.313 1
1 85 . 13 1 1 A 16 16 TYR N N 16 118.751 118.770 -0.019 1
1 86 . 13 1 1 A 17 17 ALA H H 17 8.567 9.142 -0.575 1
1 87 . 13 1 1 A 17 17 ALA HA H 17 4.754 5.295 -0.541 1
1 91 . 13 1 1 A 17 17 ALA C C 17 176.249 176.603 -0.354 1
1 92 . 13 1 1 A 17 17 ALA CA C 17 51.274 50.507 0.767 1
1 93 . 13 1 1 A 17 17 ALA CB C 17 20.625 21.276 -0.651 1
1 94 . 13 1 1 A 17 17 ALA N N 17 127.897 127.988 -0.091 1
1 95 . 13 1 1 A 18 18 CYS H H 18 8.464 9.150 -0.686 1
1 96 . 13 1 1 A 18 18 CYS HA H 18 4.538 4.568 -0.030 1
1 99 . 13 1 1 A 18 18 CYS C C 18 175.739 175.000 0.739 1
1 100 . 13 1 1 A 18 18 CYS CA C 18 60.966 60.191 0.775 1
1 101 . 13 1 1 A 18 18 CYS CB C 18 29.435 28.942 0.493 1
1 102 . 13 1 1 A 18 18 CYS N N 18 125.366 123.429 1.937 1
1 103 . 13 1 1 A 19 19 SER H H 19 8.439 9.306 -0.867 1
1 104 . 13 1 1 A 19 19 SER HA H 19 4.426 4.390 0.036 1
1 107 . 13 1 1 A 19 19 SER C C 19 175.890 176.921 -1.031 1
1 108 . 13 1 1 A 19 19 SER CA C 19 60.085 61.724 -1.639 1
1 109 . 13 1 1 A 19 19 SER CB C 19 64.097 63.089 1.008 1
1 110 . 13 1 1 A 19 19 SER N N 19 121.912 121.351 0.561 1
1 111 . 13 1 1 A 20 20 HIS H H 20 9.949 8.294 1.655 1
1 112 . 13 1 1 A 20 20 HIS HA H 20 4.579 4.434 0.145 1
1 117 . 13 1 1 A 20 20 HIS C C 20 174.670 175.667 -0.997 1
1 118 . 13 1 1 A 20 20 HIS CA C 20 57.354 58.783 -1.429 1
1 119 . 13 1 1 A 20 20 HIS CB C 20 30.787 29.293 1.494 1
1 122 . 13 1 1 A 20 20 HIS N N 20 126.154 118.836 7.318 1
1 123 . 13 1 1 A 21 21 CYS H H 21 7.972 8.114 -0.142 1
1 124 . 13 1 1 A 21 21 CYS HA H 21 4.947 4.925 0.022 1
1 127 . 13 1 1 A 21 21 CYS C C 21 172.879 173.425 -0.546 1
1 128 . 13 1 1 A 21 21 CYS CA C 21 58.891 56.724 2.167 1
1 129 . 13 1 1 A 21 21 CYS CB C 21 29.766 30.710 -0.944 1
1 130 . 13 1 1 A 21 21 CYS N N 21 119.638 114.652 4.986 1
1 131 . 13 1 1 A 22 22 ASP H H 22 8.167 8.859 -0.692 1
1 132 . 13 1 1 A 22 22 ASP HA H 22 4.668 4.868 -0.200 1
1 135 . 13 1 1 A 22 22 ASP C C 22 176.857 174.589 2.268 1
1 136 . 13 1 1 A 22 22 ASP CA C 22 54.587 53.014 1.573 1
1 137 . 13 1 1 A 22 22 ASP CB C 22 40.758 40.197 0.561 1
1 138 . 13 1 1 A 22 22 ASP N N 22 115.180 122.314 -7.134 1
1 139 . 13 1 1 A 23 23 LYS H H 23 8.407 7.648 0.759 1
1 140 . 13 1 1 A 23 23 LYS HA H 23 4.085 4.691 -0.606 1
1 148 . 13 1 1 A 23 23 LYS C C 23 175.732 175.887 -0.155 1
1 149 . 13 1 1 A 23 23 LYS CA C 23 57.537 54.407 3.130 1
1 150 . 13 1 1 A 23 23 LYS CB C 23 33.593 35.309 -1.716 1
1 154 . 13 1 1 A 23 23 LYS N N 23 122.302 122.259 0.043 1
1 155 . 13 1 1 A 24 24 THR H H 24 7.462 8.415 -0.953 1
1 156 . 13 1 1 A 24 24 THR HA H 24 5.018 5.575 -0.557 1
1 161 . 13 1 1 A 24 24 THR C C 24 173.047 172.994 0.053 1
1 162 . 13 1 1 A 24 24 THR CA C 24 59.500 58.948 0.552 1
1 163 . 13 1 1 A 24 24 THR CB C 24 71.795 72.108 -0.313 1
1 165 . 13 1 1 A 24 24 THR N N 24 110.405 111.516 -1.111 1
1 166 . 13 1 1 A 25 25 PHE H H 25 8.750 8.874 -0.124 1
1 167 . 13 1 1 A 25 25 PHE HA H 25 4.886 4.889 -0.003 1
1 175 . 13 1 1 A 25 25 PHE C C 25 175.982 175.975 0.007 1
1 176 . 13 1 1 A 25 25 PHE CA C 25 57.301 56.308 0.993 1
1 177 . 13 1 1 A 25 25 PHE CB C 25 44.782 43.001 1.781 1
1 183 . 13 1 1 A 25 25 PHE N N 25 116.161 118.149 -1.988 1
1 184 . 13 1 1 A 26 26 ARG HA H 26 4.550 4.302 0.248 1
1 191 . 13 1 1 A 26 26 ARG C C 26 175.820 176.072 -0.252 1
1 192 . 13 1 1 A 26 26 ARG CA C 26 57.830 58.185 -0.355 1
1 193 . 13 1 1 A 26 26 ARG CB C 26 31.465 30.366 1.099 1
1 196 . 13 1 1 A 27 27 GLN H H 27 7.052 7.794 -0.742 1
1 197 . 13 1 1 A 27 27 GLN HA H 27 4.820 4.511 0.309 1
1 204 . 13 1 1 A 27 27 GLN C C 27 175.929 175.316 0.613 1
1 205 . 13 1 1 A 27 27 GLN CA C 27 53.971 54.558 -0.587 1
1 206 . 13 1 1 A 27 27 GLN CB C 27 32.968 31.213 1.755 1
1 208 . 13 1 1 A 27 27 GLN N N 27 111.833 119.699 -7.866 1
1 210 . 13 1 1 A 28 28 LYS H H 28 8.616 8.398 0.218 1
1 211 . 13 1 1 A 28 28 LYS HA H 28 3.013 3.036 -0.023 1
1 220 . 13 1 1 A 28 28 LYS C C 28 177.891 177.897 -0.006 1
1 221 . 13 1 1 A 28 28 LYS CA C 28 59.351 59.953 -0.602 1
1 222 . 13 1 1 A 28 28 LYS CB C 28 31.901 31.661 0.240 1
1 226 . 13 1 1 A 28 28 LYS N N 28 127.969 125.053 2.916 1
1 227 . 13 1 1 A 29 29 GLN H H 29 9.039 7.722 1.317 1
1 228 . 13 1 1 A 29 29 GLN HA H 29 4.110 3.901 0.209 1
1 235 . 13 1 1 A 29 29 GLN C C 29 178.275 178.050 0.225 1
1 236 . 13 1 1 A 29 29 GLN CA C 29 59.073 58.812 0.261 1
1 237 . 13 1 1 A 29 29 GLN CB C 29 27.673 28.342 -0.669 1
1 239 . 13 1 1 A 29 29 GLN N N 29 116.426 118.582 -2.156 1
1 241 . 13 1 1 A 30 30 LEU H H 30 6.687 7.778 -1.091 1
1 242 . 13 1 1 A 30 30 LEU HA H 30 4.105 3.814 0.291 1
1 252 . 13 1 1 A 30 30 LEU C C 30 179.455 178.716 0.739 1
1 253 . 13 1 1 A 30 30 LEU CA C 30 56.878 57.387 -0.509 1
1 254 . 13 1 1 A 30 30 LEU CB C 30 41.552 41.486 0.066 1
1 258 . 13 1 1 A 30 30 LEU N N 30 116.469 119.500 -3.031 1
1 259 . 13 1 1 A 31 31 LEU H H 31 6.875 7.504 -0.629 1
1 260 . 13 1 1 A 31 31 LEU HA H 31 3.174 2.752 0.422 1
1 270 . 13 1 1 A 31 31 LEU C C 31 177.599 177.693 -0.094 1
1 271 . 13 1 1 A 31 31 LEU CA C 31 57.829 56.796 1.033 1
1 272 . 13 1 1 A 31 31 LEU CB C 31 39.945 40.975 -1.030 1
1 276 . 13 1 1 A 31 31 LEU N N 31 122.863 119.319 3.544 1
1 277 . 13 1 1 A 32 32 ASP H H 32 8.429 7.717 0.712 1
1 278 . 13 1 1 A 32 32 ASP HA H 32 4.356 4.325 0.031 1
1 281 . 13 1 1 A 32 32 ASP C C 32 179.142 178.009 1.133 1
1 282 . 13 1 1 A 32 32 ASP CA C 32 57.830 56.913 0.917 1
1 283 . 13 1 1 A 32 32 ASP CB C 32 39.978 41.016 -1.038 1
1 284 . 13 1 1 A 32 32 ASP N N 32 120.350 118.855 1.495 1
1 285 . 13 1 1 A 33 33 MET H H 33 7.738 8.248 -0.510 1
1 286 . 13 1 1 A 33 33 MET HA H 33 4.167 3.706 0.461 1
1 294 . 13 1 1 A 33 33 MET C C 33 178.463 178.169 0.294 1
1 295 . 13 1 1 A 33 33 MET CA C 33 58.454 57.787 0.667 1
1 296 . 13 1 1 A 33 33 MET CB C 33 32.924 32.062 0.862 1
1 299 . 13 1 1 A 33 33 MET N N 33 118.109 118.256 -0.147 1
1 300 . 13 1 1 A 34 34 HIS H H 34 7.632 8.002 -0.370 1
1 301 . 13 1 1 A 34 34 HIS HA H 34 4.396 4.205 0.191 1
1 306 . 13 1 1 A 34 34 HIS C C 34 176.258 176.826 -0.568 1
1 307 . 13 1 1 A 34 34 HIS CA C 34 59.715 59.263 0.452 1
1 308 . 13 1 1 A 34 34 HIS CB C 34 28.594 29.615 -1.021 1
1 311 . 13 1 1 A 34 34 HIS N N 34 120.242 120.801 -0.559 1
1 312 . 13 1 1 A 35 35 PHE H H 35 9.373 8.124 1.249 1
1 313 . 13 1 1 A 35 35 PHE HA H 35 3.726 3.905 -0.179 1
1 321 . 13 1 1 A 35 35 PHE C C 35 178.043 177.488 0.555 1
1 322 . 13 1 1 A 35 35 PHE CA C 35 62.870 61.267 1.603 1
1 323 . 13 1 1 A 35 35 PHE CB C 35 39.846 39.135 0.711 1
1 329 . 13 1 1 A 35 35 PHE N N 35 121.691 120.068 1.623 1
1 330 . 13 1 1 A 36 36 LYS H H 36 7.861 7.864 -0.003 1
1 331 . 13 1 1 A 36 36 LYS HA H 36 4.139 4.386 -0.247 1
1 340 . 13 1 1 A 36 36 LYS C C 36 176.843 178.406 -1.563 1
1 341 . 13 1 1 A 36 36 LYS CA C 36 58.198 58.967 -0.769 1
1 342 . 13 1 1 A 36 36 LYS CB C 36 32.906 32.322 0.584 1
1 346 . 13 1 1 A 36 36 LYS N N 36 118.022 117.881 0.141 1
1 347 . 13 1 1 A 37 37 ARG H H 37 7.298 7.574 -0.276 1
1 348 . 13 1 1 A 37 37 ARG HA H 37 3.717 4.377 -0.660 1
1 355 . 13 1 1 A 37 37 ARG C C 37 177.872 178.326 -0.454 1
1 356 . 13 1 1 A 37 37 ARG CA C 37 57.874 58.214 -0.340 1
1 357 . 13 1 1 A 37 37 ARG CB C 37 30.619 30.958 -0.339 1
1 360 . 13 1 1 A 37 37 ARG N N 37 114.740 120.479 -5.739 1
1 361 . 13 1 1 A 38 38 TYR H H 38 7.779 8.410 -0.631 1
1 362 . 13 1 1 A 38 38 TYR HA H 38 4.146 4.145 0.001 1
1 369 . 13 1 1 A 38 38 TYR C C 38 176.160 178.603 -2.443 1
1 370 . 13 1 1 A 38 38 TYR CA C 38 59.941 60.166 -0.225 1
1 371 . 13 1 1 A 38 38 TYR CB C 38 38.516 38.081 0.435 1
1 376 . 13 1 1 A 38 38 TYR N N 38 112.257 118.811 -6.554 1
1 377 . 13 1 1 A 39 39 HIS H H 39 7.679 7.657 0.022 1
1 378 . 13 1 1 A 39 39 HIS HA H 39 4.943 4.405 0.538 1
1 383 . 13 1 1 A 39 39 HIS C C 39 173.845 174.434 -0.589 1
1 384 . 13 1 1 A 39 39 HIS CA C 39 54.045 58.320 -4.275 1
1 385 . 13 1 1 A 39 39 HIS CB C 39 29.490 28.867 0.623 1
1 388 . 13 1 1 A 39 39 HIS N N 39 114.679 116.640 -1.961 1
1 389 . 13 1 1 A 40 40 ASP H H 40 7.317 7.672 -0.355 1
1 390 . 13 1 1 A 40 40 ASP HA H 40 4.800 4.903 -0.103 1
1 393 . 13 1 1 A 40 40 ASP C C 40 175.035 175.032 0.003 1
1 394 . 13 1 1 A 40 40 ASP CA C 40 51.697 50.573 1.124 1
1 395 . 13 1 1 A 40 40 ASP CB C 40 42.630 43.576 -0.946 1
1 396 . 13 1 1 A 40 40 ASP N N 40 119.125 117.529 1.596 1
1 397 . 13 1 1 A 41 41 PRO HA H 41 4.552 4.398 0.154 1
1 404 . 13 1 1 A 41 41 PRO C C 41 177.331 177.610 -0.279 1
1 405 . 13 1 1 A 41 41 PRO CA C 41 64.019 64.101 -0.082 1
1 406 . 13 1 1 A 41 41 PRO CB C 41 32.235 31.832 0.403 1
1 409 . 13 1 1 A 42 42 ASN H H 42 8.484 8.696 -0.212 1
1 410 . 13 1 1 A 42 42 ASN HA H 42 4.703 4.546 0.157 1
1 415 . 13 1 1 A 42 42 ASN C C 42 174.879 176.695 -1.816 1
1 416 . 13 1 1 A 42 42 ASN CA C 42 53.371 56.405 -3.034 1
1 417 . 13 1 1 A 42 42 ASN CB C 42 39.009 38.586 0.423 1
1 418 . 13 1 1 A 42 42 ASN N N 42 116.107 116.761 -0.654 1
1 420 . 13 1 1 A 43 43 PHE H H 43 7.741 7.717 0.024 1
1 421 . 13 1 1 A 43 43 PHE HA H 43 4.448 4.449 -0.001 1
1 429 . 13 1 1 A 43 43 PHE CA C 43 58.640 59.939 -1.299 1
1 430 . 13 1 1 A 43 43 PHE CB C 43 40.203 39.828 0.375 1
1 436 . 13 1 1 A 43 43 PHE N N 43 121.284 118.688 2.596 1
1 437 . 13 1 1 A 44 44 VAL H H 44 7.718 8.222 -0.504 1
1 438 . 13 1 1 A 44 44 VAL HA H 44 4.221 4.833 -0.612 1
1 446 . 13 1 1 A 44 44 VAL C C 44 173.190 173.356 -0.166 1
1 447 . 13 1 1 A 44 44 VAL CA C 44 59.177 58.308 0.869 1
1 448 . 13 1 1 A 44 44 VAL CB C 44 33.260 34.733 -1.473 1
1 451 . 13 1 1 A 44 44 VAL N N 44 126.832 126.670 0.162 1
1 452 . 13 1 1 A 45 45 PRO HA H 45 4.114 4.763 -0.649 1
1 459 . 13 1 1 A 45 45 PRO C C 45 176.031 177.563 -1.532 1
1 460 . 13 1 1 A 45 45 PRO CA C 45 62.732 62.243 0.489 1
1 461 . 13 1 1 A 45 45 PRO CB C 45 32.197 32.459 -0.262 1
1 464 . 13 1 1 A 46 46 ALA H H 46 8.199 8.393 -0.194 1
1 465 . 13 1 1 A 46 46 ALA HA H 46 4.161 4.480 -0.319 1
1 469 . 13 1 1 A 46 46 ALA C C 46 176.631 176.582 0.049 1
1 470 . 13 1 1 A 46 46 ALA CA C 46 52.105 52.334 -0.229 1
1 471 . 13 1 1 A 46 46 ALA CB C 46 19.315 19.549 -0.234 1
1 472 . 13 1 1 A 46 46 ALA N N 46 124.122 125.720 -1.598 1
1 473 . 13 1 1 A 47 47 ALA H H 47 7.755 8.858 -1.103 1
1 474 . 13 1 1 A 47 47 ALA HA H 47 4.218 5.120 -0.902 1
1 478 . 13 1 1 A 47 47 ALA C C 47 176.322 175.495 0.827 1
1 479 . 13 1 1 A 47 47 ALA CA C 47 52.140 50.375 1.765 1
1 480 . 13 1 1 A 47 47 ALA CB C 47 20.283 19.581 0.702 1
1 481 . 13 1 1 A 47 47 ALA N N 47 121.689 127.113 -5.424 1
1 482 . 13 1 1 A 48 48 PHE H H 48 8.323 8.750 -0.427 1
1 483 . 13 1 1 A 48 48 PHE HA H 48 4.782 5.131 -0.349 1
1 491 . 13 1 1 A 48 48 PHE C C 48 174.258 174.400 -0.142 1
1 492 . 13 1 1 A 48 48 PHE CA C 48 57.108 56.849 0.259 1
1 493 . 13 1 1 A 48 48 PHE CB C 48 40.615 41.018 -0.403 1
1 499 . 13 1 1 A 48 48 PHE N N 48 118.583 122.390 -3.807 1
1 500 . 13 1 1 A 49 49 VAL H H 49 8.584 9.144 -0.560 1
1 501 . 13 1 1 A 49 49 VAL HA H 49 4.829 5.111 -0.282 1
1 509 . 13 1 1 A 49 49 VAL C C 49 175.667 175.486 0.181 1
1 510 . 13 1 1 A 49 49 VAL CA C 49 60.508 60.924 -0.416 1
1 511 . 13 1 1 A 49 49 VAL CB C 49 35.158 34.359 0.799 1
1 514 . 13 1 1 A 49 49 VAL N N 49 123.555 123.240 0.315 1
1 515 . 13 1 1 A 50 50 CYS H H 50 9.170 9.242 -0.072 1
1 516 . 13 1 1 A 50 50 CYS HA H 50 4.593 4.527 0.066 1
1 519 . 13 1 1 A 50 50 CYS C C 50 177.661 176.391 1.270 1
1 520 . 13 1 1 A 50 50 CYS CA C 50 59.909 59.865 0.044 1
1 521 . 13 1 1 A 50 50 CYS CB C 50 30.835 28.532 2.303 1
1 522 . 13 1 1 A 50 50 CYS N N 50 128.866 127.182 1.684 1
1 523 . 13 1 1 A 51 51 SER H H 51 9.205 9.110 0.095 1
1 524 . 13 1 1 A 51 51 SER HA H 51 4.271 4.361 -0.090 1
1 527 . 13 1 1 A 51 51 SER C C 51 174.401 175.381 -0.980 1
1 528 . 13 1 1 A 51 51 SER CA C 51 60.890 60.316 0.574 1
1 529 . 13 1 1 A 51 51 SER CB C 51 63.231 62.995 0.236 1
1 530 . 13 1 1 A 51 51 SER N N 51 128.162 123.318 4.844 1
1 531 . 13 1 1 A 52 52 LYS H H 52 9.118 7.570 1.548 1
1 532 . 13 1 1 A 52 52 LYS HA H 52 4.421 4.219 0.202 1
1 541 . 13 1 1 A 52 52 LYS C C 52 177.831 178.082 -0.251 1
1 542 . 13 1 1 A 52 52 LYS CA C 52 58.535 58.474 0.061 1
1 543 . 13 1 1 A 52 52 LYS CB C 52 34.152 33.359 0.793 1
1 547 . 13 1 1 A 52 52 LYS N N 52 123.970 119.844 4.126 1
1 548 . 13 1 1 A 53 53 CYS H H 53 8.241 8.148 0.093 1
1 549 . 13 1 1 A 53 53 CYS HA H 53 4.999 4.600 0.399 1
1 552 . 13 1 1 A 53 53 CYS C C 53 176.529 175.328 1.201 1
1 553 . 13 1 1 A 53 53 CYS CA C 53 58.587 59.768 -1.181 1
1 554 . 13 1 1 A 53 53 CYS CB C 53 33.353 29.497 3.856 1
1 555 . 13 1 1 A 53 53 CYS N N 53 115.684 114.055 1.629 1
1 556 . 13 1 1 A 54 54 GLY H H 54 8.290 7.937 0.353 1
1 557 . 13 1 1 A 54 54 GLY HA2 H 54 4.226 4.095 0.131 1
1 558 . 13 1 1 A 54 54 GLY HA3 H 54 3.733 4.115 -0.382 1
1 559 . 13 1 1 A 54 54 GLY C C 54 173.761 174.159 -0.398 1
1 560 . 13 1 1 A 54 54 GLY CA C 54 46.147 45.233 0.914 1
1 561 . 13 1 1 A 54 54 GLY N N 54 113.723 110.453 3.270 1
1 562 . 13 1 1 A 55 55 LYS H H 55 8.598 7.339 1.259 1
1 563 . 13 1 1 A 55 55 LYS HA H 55 4.074 4.530 -0.456 1
1 572 . 13 1 1 A 55 55 LYS C C 55 174.748 176.434 -1.686 1
1 573 . 13 1 1 A 55 55 LYS CA C 55 58.270 54.718 3.552 1
1 574 . 13 1 1 A 55 55 LYS CB C 55 33.778 33.867 -0.089 1
1 578 . 13 1 1 A 55 55 LYS N N 55 124.175 119.212 4.963 1
1 579 . 13 1 1 A 56 56 THR H H 56 7.708 8.466 -0.758 1
1 580 . 13 1 1 A 56 56 THR HA H 56 5.028 5.063 -0.035 1
1 585 . 13 1 1 A 56 56 THR C C 56 173.673 174.153 -0.480 1
1 586 . 13 1 1 A 56 56 THR CA C 56 60.779 61.116 -0.337 1
1 587 . 13 1 1 A 56 56 THR CB C 56 70.823 70.185 0.638 1
1 589 . 13 1 1 A 56 56 THR N N 56 113.091 113.219 -0.128 1
1 590 . 13 1 1 A 57 57 PHE H H 57 8.944 9.289 -0.345 1
1 591 . 13 1 1 A 57 57 PHE HA H 57 4.850 5.030 -0.180 1
1 599 . 13 1 1 A 57 57 PHE C C 57 175.764 176.201 -0.437 1
1 600 . 13 1 1 A 57 57 PHE CA C 57 56.949 56.465 0.484 1
1 601 . 13 1 1 A 57 57 PHE CB C 57 43.729 42.936 0.793 1
1 607 . 13 1 1 A 57 57 PHE N N 57 119.958 121.341 -1.383 1
1 608 . 13 1 1 A 58 58 THR HA H 58 4.629 4.598 0.031 1
1 613 . 13 1 1 A 58 58 THR CA C 58 62.738 62.583 0.155 1
1 614 . 13 1 1 A 58 58 THR CB C 58 69.810 69.672 0.138 1
1 616 . 13 1 1 A 59 59 ARG H H 59 7.422 7.834 -0.412 1
1 617 . 13 1 1 A 59 59 ARG HA H 59 4.740 4.656 0.084 1
1 624 . 13 1 1 A 59 59 ARG CA C 59 54.724 54.317 0.407 1
1 625 . 13 1 1 A 59 59 ARG CB C 59 33.659 33.091 0.568 1
1 628 . 13 1 1 A 59 59 ARG N N 59 118.359 121.223 -2.864 1
1 629 . 13 1 1 A 60 60 ARG HA H 60 2.949 3.183 -0.234 1
1 636 . 13 1 1 A 60 60 ARG CA C 60 59.468 58.745 0.723 1
1 637 . 13 1 1 A 60 60 ARG CB C 60 29.732 29.057 0.675 1
1 640 . 13 1 1 A 61 61 ASN HA H 61 4.332 4.256 0.076 1
1 645 . 13 1 1 A 61 61 ASN C C 61 177.497 177.928 -0.431 1
1 646 . 13 1 1 A 61 61 ASN CA C 61 56.212 56.157 0.055 1
1 647 . 13 1 1 A 61 61 ASN CB C 61 37.142 37.989 -0.847 1
1 649 . 13 1 1 A 62 62 THR H H 62 7.076 8.124 -1.048 1
1 650 . 13 1 1 A 62 62 THR HA H 62 3.893 3.854 0.039 1
1 655 . 13 1 1 A 62 62 THR C C 62 176.684 175.547 1.137 1
1 656 . 13 1 1 A 62 62 THR CA C 62 65.025 67.368 -2.343 1
1 657 . 13 1 1 A 62 62 THR CB C 62 68.112 68.091 0.021 1
1 659 . 13 1 1 A 62 62 THR N N 62 115.050 115.958 -0.908 1
1 660 . 13 1 1 A 63 63 MET H H 63 7.149 7.675 -0.526 1
1 661 . 13 1 1 A 63 63 MET HA H 63 2.545 3.222 -0.677 1
1 669 . 13 1 1 A 63 63 MET C C 63 176.978 177.665 -0.687 1
1 670 . 13 1 1 A 63 63 MET CA C 63 58.791 57.874 0.917 1
1 671 . 13 1 1 A 63 63 MET CB C 63 31.556 31.774 -0.218 1
1 674 . 13 1 1 A 63 63 MET N N 63 122.700 119.866 2.834 1
1 675 . 13 1 1 A 64 64 ALA H H 64 8.383 8.435 -0.052 1
1 676 . 13 1 1 A 64 64 ALA HA H 64 3.944 3.949 -0.005 1
1 680 . 13 1 1 A 64 64 ALA C C 64 179.879 180.090 -0.211 1
1 681 . 13 1 1 A 64 64 ALA CA C 64 55.324 55.207 0.117 1
1 682 . 13 1 1 A 64 64 ALA CB C 64 18.033 18.472 -0.439 1
1 683 . 13 1 1 A 64 64 ALA N N 64 122.001 121.194 0.807 1
1 684 . 13 1 1 A 65 65 ARG H H 65 7.574 7.990 -0.416 1
1 685 . 13 1 1 A 65 65 ARG HA H 65 4.139 3.997 0.142 1
1 692 . 13 1 1 A 65 65 ARG C C 65 178.946 179.039 -0.093 1
1 693 . 13 1 1 A 65 65 ARG CA C 65 58.182 59.503 -1.321 1
1 694 . 13 1 1 A 65 65 ARG CB C 65 30.153 29.631 0.522 1
1 697 . 13 1 1 A 65 65 ARG N N 65 116.551 117.350 -0.799 1
1 698 . 13 1 1 A 66 66 HIS H H 66 7.455 8.025 -0.570 1
1 699 . 13 1 1 A 66 66 HIS HA H 66 4.271 4.315 -0.044 1
1 704 . 13 1 1 A 66 66 HIS C C 66 177.633 177.036 0.597 1
1 705 . 13 1 1 A 66 66 HIS CA C 66 59.046 59.764 -0.718 1
1 706 . 13 1 1 A 66 66 HIS CB C 66 27.820 29.253 -1.433 1
1 709 . 13 1 1 A 66 66 HIS N N 66 118.483 119.946 -1.463 1
1 710 . 13 1 1 A 67 67 ALA H H 67 8.869 8.453 0.416 1
1 711 . 13 1 1 A 67 67 ALA HA H 67 3.968 3.655 0.313 1
1 715 . 13 1 1 A 67 67 ALA C C 67 179.374 178.679 0.695 1
1 716 . 13 1 1 A 67 67 ALA CA C 67 55.186 54.990 0.196 1
1 717 . 13 1 1 A 67 67 ALA CB C 67 18.851 18.157 0.694 1
1 718 . 13 1 1 A 67 67 ALA N N 67 122.114 120.682 1.432 1
1 719 . 13 1 1 A 68 68 ASP H H 68 7.476 7.814 -0.338 1
1 720 . 13 1 1 A 68 68 ASP HA H 68 4.401 4.290 0.111 1
1 723 . 13 1 1 A 68 68 ASP C C 68 176.580 177.979 -1.399 1
1 724 . 13 1 1 A 68 68 ASP CA C 68 56.772 57.645 -0.873 1
1 725 . 13 1 1 A 68 68 ASP CB C 68 40.945 41.618 -0.673 1
1 726 . 13 1 1 A 68 68 ASP N N 68 116.466 118.853 -2.387 1
1 727 . 13 1 1 A 69 69 ASN H H 69 7.227 7.162 0.065 1
1 728 . 13 1 1 A 69 69 ASN HA H 69 4.905 4.738 0.167 1
1 733 . 13 1 1 A 69 69 ASN C C 69 173.603 174.916 -1.313 1
1 734 . 13 1 1 A 69 69 ASN CA C 69 52.518 53.790 -1.272 1
1 735 . 13 1 1 A 69 69 ASN CB C 69 40.657 38.715 1.942 1
1 736 . 13 1 1 A 69 69 ASN N N 69 114.158 114.632 -0.474 1
1 738 . 13 1 1 A 70 70 CYS H H 70 7.201 7.143 0.058 1
1 739 . 13 1 1 A 70 70 CYS HA H 70 3.902 4.289 -0.387 1
1 742 . 13 1 1 A 70 70 CYS C C 70 175.424 174.230 1.194 1
1 743 . 13 1 1 A 70 70 CYS CA C 70 61.195 58.885 2.310 1
1 744 . 13 1 1 A 70 70 CYS CB C 70 29.288 28.645 0.643 1
1 745 . 13 1 1 A 70 70 CYS N N 70 124.154 120.289 3.865 1
1 746 . 13 1 1 A 71 71 ALA H H 71 8.783 8.792 -0.009 1
1 747 . 13 1 1 A 71 71 ALA HA H 71 4.562 4.587 -0.025 1
1 751 . 13 1 1 A 71 71 ALA C C 71 177.513 176.773 0.740 1
1 752 . 13 1 1 A 71 71 ALA CA C 71 51.926 52.097 -0.171 1
1 753 . 13 1 1 A 71 71 ALA CB C 71 19.698 21.017 -1.319 1
1 754 . 13 1 1 A 71 71 ALA N N 71 131.493 125.100 6.393 1
1 755 . 13 1 1 A 72 72 GLY H H 72 8.645 7.279 1.366 1
1 756 . 13 1 1 A 72 72 GLY HA2 H 72 4.469 4.116 0.353 1
1 757 . 13 1 1 A 72 72 GLY HA3 H 72 3.628 4.122 -0.494 1
1 758 . 13 1 1 A 72 72 GLY C C 72 171.320 172.314 -0.994 1
1 759 . 13 1 1 A 72 72 GLY CA C 72 44.286 44.148 0.138 1
1 760 . 13 1 1 A 72 72 GLY N N 72 110.083 103.661 6.422 1
1 761 . 13 1 1 A 73 73 PRO HA H 73 4.470 4.851 -0.381 1
1 768 . 13 1 1 A 73 73 PRO C C 73 176.905 175.650 1.255 1
1 769 . 13 1 1 A 73 73 PRO CA C 73 63.706 62.395 1.311 1
1 770 . 13 1 1 A 73 73 PRO CB C 73 32.344 29.869 2.475 1
1 773 . 13 1 1 A 74 74 ASP H H 74 8.506 8.490 0.016 1
1 774 . 13 1 1 A 74 74 ASP HA H 74 4.659 5.001 -0.342 1
1 777 . 13 1 1 A 74 74 ASP C C 74 176.869 175.950 0.919 1
1 778 . 13 1 1 A 74 74 ASP CA C 74 54.617 53.041 1.576 1
1 779 . 13 1 1 A 74 74 ASP CB C 74 41.335 41.477 -0.142 1
1 780 . 13 1 1 A 74 74 ASP N N 74 120.155 124.198 -4.043 1
1 781 . 13 1 1 A 75 75 GLY H H 75 8.257 8.279 -0.022 1
1 782 . 13 1 1 A 75 75 GLY HA2 H 75 4.072 4.123 -0.051 1
1 783 . 13 1 1 A 75 75 GLY HA3 H 75 3.965 4.126 -0.161 1
1 784 . 13 1 1 A 75 75 GLY C C 75 174.256 171.304 2.952 1
1 785 . 13 1 1 A 75 75 GLY CA C 75 45.653 44.544 1.109 1
1 786 . 13 1 1 A 75 75 GLY N N 75 108.913 112.996 -4.083 1
1 787 . 13 1 1 A 76 76 VAL H H 76 8.079 8.407 -0.328 1
1 788 . 13 1 1 A 76 76 VAL HA H 76 4.169 4.980 -0.811 1
1 796 . 13 1 1 A 76 76 VAL C C 76 176.347 173.837 2.510 1
1 797 . 13 1 1 A 76 76 VAL CA C 76 62.295 59.763 2.532 1
1 798 . 13 1 1 A 76 76 VAL CB C 76 32.871 35.173 -2.302 1
1 801 . 13 1 1 A 76 76 VAL N N 76 119.508 120.530 -1.022 1
1 802 . 13 1 1 A 77 77 GLU H H 77 8.619 8.662 -0.043 1
1 803 . 13 1 1 A 77 77 GLU HA H 77 4.310 4.645 -0.335 1
1 808 . 13 1 1 A 77 77 GLU C C 77 177.046 175.187 1.859 1
1 809 . 13 1 1 A 77 77 GLU CA C 77 56.966 55.993 0.973 1
1 810 . 13 1 1 A 77 77 GLU CB C 77 30.318 32.749 -2.431 1
1 812 . 13 1 1 A 77 77 GLU N N 77 125.001 126.606 -1.605 1
1 813 . 13 1 1 A 78 78 GLY H H 78 8.446 8.820 -0.374 1
1 814 . 13 1 1 A 78 78 GLY HA2 H 78 3.987 4.057 -0.070 1
1 815 . 13 1 1 A 78 78 GLY HA3 H 78 3.987 4.059 -0.072 1
1 816 . 13 1 1 A 78 78 GLY C C 78 174.238 172.665 1.573 1
1 817 . 13 1 1 A 78 78 GLY CA C 78 45.283 44.445 0.838 1
1 818 . 13 1 1 A 78 78 GLY N N 78 110.357 113.580 -3.223 1
1 819 . 13 1 1 A 79 79 GLU H H 79 8.313 8.485 -0.172 1
1 820 . 13 1 1 A 79 79 GLU HA H 79 4.309 5.027 -0.718 1
1 825 . 13 1 1 A 79 79 GLU C C 79 176.509 175.344 1.165 1
1 826 . 13 1 1 A 79 79 GLU CA C 79 56.755 54.996 1.759 1
1 827 . 13 1 1 A 79 79 GLU CB C 79 30.317 33.428 -3.111 1
1 829 . 13 1 1 A 79 79 GLU N N 79 120.638 122.941 -2.303 1
1 830 . 13 1 1 A 80 80 ASN H H 80 8.588 8.580 0.008 1
1 831 . 13 1 1 A 80 80 ASN HA H 80 4.801 5.007 -0.206 1
1 834 . 13 1 1 A 80 80 ASN C C 80 175.202 175.226 -0.024 1
1 835 . 13 1 1 A 80 80 ASN CA C 80 53.336 52.576 0.760 1
1 836 . 13 1 1 A 80 80 ASN CB C 80 39.051 39.683 -0.632 1
1 837 . 13 1 1 A 80 80 ASN N N 80 119.808 124.510 -4.702 1
1 838 . 13 1 1 A 81 81 SER H H 81 8.322 9.066 -0.744 1
1 839 . 13 1 1 A 81 81 SER HA H 81 4.517 4.129 0.388 1
1 842 . 13 1 1 A 81 81 SER C C 81 174.643 174.624 0.019 1
1 843 . 13 1 1 A 81 81 SER CA C 81 58.499 58.898 -0.399 1
1 844 . 13 1 1 A 81 81 SER CB C 81 64.056 61.407 2.649 1
1 845 . 13 1 1 A 81 81 SER N N 81 116.318 115.690 0.628 1
1 846 . 13 1 1 A 82 82 GLY H H 82 8.303 8.115 0.188 1
1 847 . 13 1 1 A 82 82 GLY HA2 H 82 4.170 4.034 0.136 1
1 848 . 13 1 1 A 82 82 GLY HA3 H 82 4.125 4.042 0.083 1
1 849 . 13 1 1 A 82 82 GLY C C 82 171.855 173.320 -1.465 1
1 850 . 13 1 1 A 82 82 GLY CA C 82 44.719 44.296 0.423 1
1 851 . 13 1 1 A 82 82 GLY N N 82 110.706 109.005 1.701 1
1 852 . 13 1 1 A 83 83 PRO HA H 83 4.498 4.603 -0.105 1
1 859 . 13 1 1 A 83 83 PRO C C 83 177.459 175.259 2.200 1
1 860 . 13 1 1 A 83 83 PRO CA C 83 63.274 62.625 0.649 1
1 861 . 13 1 1 A 83 83 PRO CB C 83 32.254 32.793 -0.539 1
1 864 . 13 1 1 A 84 84 SER H H 84 8.541 8.237 0.304 1
1 865 . 13 1 1 A 84 84 SER HA H 84 4.508 4.789 -0.281 1
1 868 . 13 1 1 A 84 84 SER C C 84 174.744 174.606 0.138 1
1 869 . 13 1 1 A 84 84 SER CA C 84 58.412 57.230 1.182 1
1 870 . 13 1 1 A 84 84 SER CB C 84 64.056 66.579 -2.523 1
1 871 . 13 1 1 A 84 84 SER N N 84 116.449 115.838 0.611 1
1 872 . 13 1 1 A 85 85 SER H H 85 8.353 8.745 -0.392 1
1 873 . 13 1 1 A 85 85 SER HA H 85 4.517 4.224 0.293 1
1 876 . 13 1 1 A 85 85 SER C C 85 173.953 174.944 -0.991 1
1 877 . 13 1 1 A 85 85 SER CA C 85 58.492 62.424 -3.932 1
1 878 . 13 1 1 A 85 85 SER CB C 85 64.138 62.861 1.277 1
1 879 . 13 1 1 A 85 85 SER N N 85 117.940 117.711 0.229 1
1 1 . 14 1 1 A 8 8 ARG HA H 8 4.432 4.794 -0.362 1
1 7 . 14 1 1 A 8 8 ARG CA C 8 56.069 55.181 0.888 1
1 8 . 14 1 1 A 8 8 ARG CB C 8 30.974 31.421 -0.447 1
1 14 . 14 1 1 A 9 9 THR CB C 9 69.816 70.521 -0.705 1
1 16 . 14 1 1 A 10 10 HIS HA H 10 4.730 5.059 -0.329 1
1 21 . 14 1 1 A 10 10 HIS CA C 10 56.345 54.427 1.918 1
1 22 . 14 1 1 A 10 10 HIS CB C 10 31.058 31.945 -0.887 1
1 28 . 14 1 1 A 11 11 THR CB C 11 69.816 69.799 0.017 1
1 30 . 14 1 1 A 12 12 GLY HA2 H 12 3.978 4.203 -0.225 1
1 31 . 14 1 1 A 12 12 GLY HA3 H 12 3.978 4.207 -0.229 1
1 32 . 14 1 1 A 12 12 GLY CA C 12 45.442 46.181 -0.739 1
1 33 . 14 1 1 A 13 13 GLU H H 13 8.243 8.205 0.038 1
1 34 . 14 1 1 A 13 13 GLU HA H 13 4.235 4.850 -0.615 1
1 39 . 14 1 1 A 13 13 GLU CA C 13 56.898 55.893 1.005 1
1 40 . 14 1 1 A 13 13 GLU CB C 13 30.495 32.207 -1.712 1
1 42 . 14 1 1 A 13 13 GLU N N 13 120.364 119.301 1.063 1
1 43 . 14 1 1 A 14 14 LYS H H 14 8.276 8.542 -0.266 1
1 44 . 14 1 1 A 14 14 LYS HA H 14 4.528 4.934 -0.406 1
1 53 . 14 1 1 A 14 14 LYS CA C 14 54.009 52.775 1.234 1
1 54 . 14 1 1 A 14 14 LYS CB C 14 32.667 35.093 -2.426 1
1 58 . 14 1 1 A 14 14 LYS N N 14 121.981 125.319 -3.338 1
1 59 . 14 1 1 A 15 15 PRO HA H 15 4.347 4.362 -0.015 1
1 66 . 14 1 1 A 15 15 PRO CA C 15 63.237 64.846 -1.609 1
1 67 . 14 1 1 A 15 15 PRO CB C 15 32.365 31.781 0.584 1
1 70 . 14 1 1 A 16 16 TYR H H 16 8.234 7.949 0.285 1
1 71 . 14 1 1 A 16 16 TYR HA H 16 4.508 4.702 -0.194 1
1 78 . 14 1 1 A 16 16 TYR C C 16 174.453 174.917 -0.464 1
1 79 . 14 1 1 A 16 16 TYR CA C 16 58.076 57.659 0.417 1
1 80 . 14 1 1 A 16 16 TYR CB C 16 38.346 37.847 0.499 1
1 85 . 14 1 1 A 16 16 TYR N N 16 118.751 117.802 0.949 1
1 86 . 14 1 1 A 17 17 ALA H H 17 8.567 9.022 -0.455 1
1 87 . 14 1 1 A 17 17 ALA HA H 17 4.754 5.298 -0.544 1
1 91 . 14 1 1 A 17 17 ALA C C 17 176.249 177.057 -0.808 1
1 92 . 14 1 1 A 17 17 ALA CA C 17 51.274 50.606 0.668 1
1 93 . 14 1 1 A 17 17 ALA CB C 17 20.625 20.938 -0.313 1
1 94 . 14 1 1 A 17 17 ALA N N 17 127.897 128.042 -0.145 1
1 95 . 14 1 1 A 18 18 CYS H H 18 8.464 9.141 -0.677 1
1 96 . 14 1 1 A 18 18 CYS HA H 18 4.538 4.401 0.137 1
1 99 . 14 1 1 A 18 18 CYS C C 18 175.739 175.823 -0.084 1
1 100 . 14 1 1 A 18 18 CYS CA C 18 60.966 60.267 0.699 1
1 101 . 14 1 1 A 18 18 CYS CB C 18 29.435 29.175 0.260 1
1 102 . 14 1 1 A 18 18 CYS N N 18 125.366 123.249 2.117 1
1 103 . 14 1 1 A 19 19 SER H H 19 8.439 9.042 -0.603 1
1 104 . 14 1 1 A 19 19 SER HA H 19 4.426 4.223 0.203 1
1 107 . 14 1 1 A 19 19 SER C C 19 175.890 176.918 -1.028 1
1 108 . 14 1 1 A 19 19 SER CA C 19 60.085 62.246 -2.161 1
1 109 . 14 1 1 A 19 19 SER CB C 19 64.097 63.515 0.582 1
1 110 . 14 1 1 A 19 19 SER N N 19 121.912 122.697 -0.785 1
1 111 . 14 1 1 A 20 20 HIS H H 20 9.949 8.202 1.747 1
1 112 . 14 1 1 A 20 20 HIS HA H 20 4.579 4.425 0.154 1
1 117 . 14 1 1 A 20 20 HIS C C 20 174.670 175.571 -0.901 1
1 118 . 14 1 1 A 20 20 HIS CA C 20 57.354 58.782 -1.428 1
1 119 . 14 1 1 A 20 20 HIS CB C 20 30.787 29.172 1.615 1
1 122 . 14 1 1 A 20 20 HIS N N 20 126.154 119.095 7.059 1
1 123 . 14 1 1 A 21 21 CYS H H 21 7.972 8.100 -0.128 1
1 124 . 14 1 1 A 21 21 CYS HA H 21 4.947 4.945 0.002 1
1 127 . 14 1 1 A 21 21 CYS C C 21 172.879 174.076 -1.197 1
1 128 . 14 1 1 A 21 21 CYS CA C 21 58.891 56.650 2.241 1
1 129 . 14 1 1 A 21 21 CYS CB C 21 29.766 30.742 -0.976 1
1 130 . 14 1 1 A 21 21 CYS N N 21 119.638 115.059 4.579 1
1 131 . 14 1 1 A 22 22 ASP H H 22 8.167 8.547 -0.380 1
1 132 . 14 1 1 A 22 22 ASP HA H 22 4.668 4.932 -0.264 1
1 135 . 14 1 1 A 22 22 ASP C C 22 176.857 174.283 2.574 1
1 136 . 14 1 1 A 22 22 ASP CA C 22 54.587 53.963 0.624 1
1 137 . 14 1 1 A 22 22 ASP CB C 22 40.758 39.965 0.793 1
1 138 . 14 1 1 A 22 22 ASP N N 22 115.180 118.899 -3.719 1
1 139 . 14 1 1 A 23 23 LYS H H 23 8.407 7.669 0.738 1
1 140 . 14 1 1 A 23 23 LYS HA H 23 4.085 4.710 -0.625 1
1 148 . 14 1 1 A 23 23 LYS C C 23 175.732 175.942 -0.210 1
1 149 . 14 1 1 A 23 23 LYS CA C 23 57.537 54.560 2.977 1
1 150 . 14 1 1 A 23 23 LYS CB C 23 33.593 35.243 -1.650 1
1 154 . 14 1 1 A 23 23 LYS N N 23 122.302 117.805 4.497 1
1 155 . 14 1 1 A 24 24 THR H H 24 7.462 8.464 -1.002 1
1 156 . 14 1 1 A 24 24 THR HA H 24 5.018 5.683 -0.665 1
1 161 . 14 1 1 A 24 24 THR C C 24 173.047 172.798 0.249 1
1 162 . 14 1 1 A 24 24 THR CA C 24 59.500 58.830 0.670 1
1 163 . 14 1 1 A 24 24 THR CB C 24 71.795 72.160 -0.365 1
1 165 . 14 1 1 A 24 24 THR N N 24 110.405 111.953 -1.548 1
1 166 . 14 1 1 A 25 25 PHE H H 25 8.750 8.869 -0.119 1
1 167 . 14 1 1 A 25 25 PHE HA H 25 4.886 4.905 -0.019 1
1 175 . 14 1 1 A 25 25 PHE C C 25 175.982 175.911 0.071 1
1 176 . 14 1 1 A 25 25 PHE CA C 25 57.301 56.487 0.814 1
1 177 . 14 1 1 A 25 25 PHE CB C 25 44.782 43.489 1.293 1
1 183 . 14 1 1 A 25 25 PHE N N 25 116.161 117.932 -1.771 1
1 184 . 14 1 1 A 26 26 ARG HA H 26 4.550 4.276 0.274 1
1 191 . 14 1 1 A 26 26 ARG C C 26 175.820 176.034 -0.214 1
1 192 . 14 1 1 A 26 26 ARG CA C 26 57.830 59.034 -1.204 1
1 193 . 14 1 1 A 26 26 ARG CB C 26 31.465 29.901 1.564 1
1 196 . 14 1 1 A 27 27 GLN H H 27 7.052 7.972 -0.920 1
1 197 . 14 1 1 A 27 27 GLN HA H 27 4.820 4.284 0.536 1
1 204 . 14 1 1 A 27 27 GLN C C 27 175.929 175.717 0.212 1
1 205 . 14 1 1 A 27 27 GLN CA C 27 53.971 54.596 -0.625 1
1 206 . 14 1 1 A 27 27 GLN CB C 27 32.968 30.601 2.367 1
1 208 . 14 1 1 A 27 27 GLN N N 27 111.833 118.367 -6.534 1
1 210 . 14 1 1 A 28 28 LYS H H 28 8.616 8.252 0.364 1
1 211 . 14 1 1 A 28 28 LYS HA H 28 3.013 3.379 -0.366 1
1 220 . 14 1 1 A 28 28 LYS C C 28 177.891 177.776 0.115 1
1 221 . 14 1 1 A 28 28 LYS CA C 28 59.351 59.722 -0.371 1
1 222 . 14 1 1 A 28 28 LYS CB C 28 31.901 32.026 -0.125 1
1 226 . 14 1 1 A 28 28 LYS N N 28 127.969 124.499 3.470 1
1 227 . 14 1 1 A 29 29 GLN H H 29 9.039 7.783 1.256 1
1 228 . 14 1 1 A 29 29 GLN HA H 29 4.110 3.927 0.183 1
1 235 . 14 1 1 A 29 29 GLN C C 29 178.275 178.203 0.072 1
1 236 . 14 1 1 A 29 29 GLN CA C 29 59.073 58.690 0.383 1
1 237 . 14 1 1 A 29 29 GLN CB C 29 27.673 28.338 -0.665 1
1 239 . 14 1 1 A 29 29 GLN N N 29 116.426 118.362 -1.936 1
1 241 . 14 1 1 A 30 30 LEU H H 30 6.687 7.626 -0.939 1
1 242 . 14 1 1 A 30 30 LEU HA H 30 4.105 3.830 0.275 1
1 252 . 14 1 1 A 30 30 LEU C C 30 179.455 178.741 0.714 1
1 253 . 14 1 1 A 30 30 LEU CA C 30 56.878 57.416 -0.538 1
1 254 . 14 1 1 A 30 30 LEU CB C 30 41.552 41.814 -0.262 1
1 258 . 14 1 1 A 30 30 LEU N N 30 116.469 119.704 -3.235 1
1 259 . 14 1 1 A 31 31 LEU H H 31 6.875 7.438 -0.563 1
1 260 . 14 1 1 A 31 31 LEU HA H 31 3.174 2.367 0.807 1
1 270 . 14 1 1 A 31 31 LEU C C 31 177.599 178.031 -0.432 1
1 271 . 14 1 1 A 31 31 LEU CA C 31 57.829 57.198 0.631 1
1 272 . 14 1 1 A 31 31 LEU CB C 31 39.945 40.637 -0.692 1
1 276 . 14 1 1 A 31 31 LEU N N 31 122.863 119.443 3.420 1
1 277 . 14 1 1 A 32 32 ASP H H 32 8.429 8.272 0.157 1
1 278 . 14 1 1 A 32 32 ASP HA H 32 4.356 4.229 0.127 1
1 281 . 14 1 1 A 32 32 ASP C C 32 179.142 178.165 0.977 1
1 282 . 14 1 1 A 32 32 ASP CA C 32 57.830 57.178 0.652 1
1 283 . 14 1 1 A 32 32 ASP CB C 32 39.978 40.962 -0.984 1
1 284 . 14 1 1 A 32 32 ASP N N 32 120.350 119.077 1.273 1
1 285 . 14 1 1 A 33 33 MET H H 33 7.738 8.421 -0.683 1
1 286 . 14 1 1 A 33 33 MET HA H 33 4.167 3.644 0.523 1
1 294 . 14 1 1 A 33 33 MET C C 33 178.463 178.008 0.455 1
1 295 . 14 1 1 A 33 33 MET CA C 33 58.454 57.656 0.798 1
1 296 . 14 1 1 A 33 33 MET CB C 33 32.924 32.136 0.788 1
1 299 . 14 1 1 A 33 33 MET N N 33 118.109 118.580 -0.471 1
1 300 . 14 1 1 A 34 34 HIS H H 34 7.632 7.836 -0.204 1
1 301 . 14 1 1 A 34 34 HIS HA H 34 4.396 4.208 0.188 1
1 306 . 14 1 1 A 34 34 HIS C C 34 176.258 176.972 -0.714 1
1 307 . 14 1 1 A 34 34 HIS CA C 34 59.715 59.359 0.356 1
1 308 . 14 1 1 A 34 34 HIS CB C 34 28.594 29.764 -1.170 1
1 311 . 14 1 1 A 34 34 HIS N N 34 120.242 120.711 -0.469 1
1 312 . 14 1 1 A 35 35 PHE H H 35 9.373 7.709 1.664 1
1 313 . 14 1 1 A 35 35 PHE HA H 35 3.726 3.946 -0.220 1
1 321 . 14 1 1 A 35 35 PHE C C 35 178.043 177.423 0.620 1
1 322 . 14 1 1 A 35 35 PHE CA C 35 62.870 61.229 1.641 1
1 323 . 14 1 1 A 35 35 PHE CB C 35 39.846 39.162 0.684 1
1 329 . 14 1 1 A 35 35 PHE N N 35 121.691 120.131 1.560 1
1 330 . 14 1 1 A 36 36 LYS H H 36 7.861 7.972 -0.111 1
1 331 . 14 1 1 A 36 36 LYS HA H 36 4.139 4.452 -0.313 1
1 340 . 14 1 1 A 36 36 LYS C C 36 176.843 178.437 -1.594 1
1 341 . 14 1 1 A 36 36 LYS CA C 36 58.198 58.364 -0.166 1
1 342 . 14 1 1 A 36 36 LYS CB C 36 32.906 32.427 0.479 1
1 346 . 14 1 1 A 36 36 LYS N N 36 118.022 118.305 -0.283 1
1 347 . 14 1 1 A 37 37 ARG H H 37 7.298 7.874 -0.576 1
1 348 . 14 1 1 A 37 37 ARG HA H 37 3.717 4.285 -0.568 1
1 355 . 14 1 1 A 37 37 ARG C C 37 177.872 178.413 -0.541 1
1 356 . 14 1 1 A 37 37 ARG CA C 37 57.874 58.208 -0.334 1
1 357 . 14 1 1 A 37 37 ARG CB C 37 30.619 30.918 -0.299 1
1 360 . 14 1 1 A 37 37 ARG N N 37 114.740 120.422 -5.682 1
1 361 . 14 1 1 A 38 38 TYR H H 38 7.779 8.392 -0.613 1
1 362 . 14 1 1 A 38 38 TYR HA H 38 4.146 4.148 -0.002 1
1 369 . 14 1 1 A 38 38 TYR C C 38 176.160 178.551 -2.391 1
1 370 . 14 1 1 A 38 38 TYR CA C 38 59.941 60.144 -0.203 1
1 371 . 14 1 1 A 38 38 TYR CB C 38 38.516 37.977 0.539 1
1 376 . 14 1 1 A 38 38 TYR N N 38 112.257 118.838 -6.581 1
1 377 . 14 1 1 A 39 39 HIS H H 39 7.679 7.720 -0.041 1
1 378 . 14 1 1 A 39 39 HIS HA H 39 4.943 4.442 0.501 1
1 383 . 14 1 1 A 39 39 HIS C C 39 173.845 175.263 -1.418 1
1 384 . 14 1 1 A 39 39 HIS CA C 39 54.045 58.341 -4.296 1
1 385 . 14 1 1 A 39 39 HIS CB C 39 29.490 29.061 0.429 1
1 388 . 14 1 1 A 39 39 HIS N N 39 114.679 116.567 -1.888 1
1 389 . 14 1 1 A 40 40 ASP H H 40 7.317 7.758 -0.441 1
1 390 . 14 1 1 A 40 40 ASP HA H 40 4.800 4.933 -0.133 1
1 393 . 14 1 1 A 40 40 ASP C C 40 175.035 174.855 0.180 1
1 394 . 14 1 1 A 40 40 ASP CA C 40 51.697 50.823 0.874 1
1 395 . 14 1 1 A 40 40 ASP CB C 40 42.630 43.302 -0.672 1
1 396 . 14 1 1 A 40 40 ASP N N 40 119.125 118.235 0.890 1
1 397 . 14 1 1 A 41 41 PRO HA H 41 4.552 4.394 0.158 1
1 404 . 14 1 1 A 41 41 PRO C C 41 177.331 177.510 -0.179 1
1 405 . 14 1 1 A 41 41 PRO CA C 41 64.019 64.023 -0.004 1
1 406 . 14 1 1 A 41 41 PRO CB C 41 32.235 31.823 0.412 1
1 409 . 14 1 1 A 42 42 ASN H H 42 8.484 8.655 -0.171 1
1 410 . 14 1 1 A 42 42 ASN HA H 42 4.703 4.548 0.155 1
1 415 . 14 1 1 A 42 42 ASN C C 42 174.879 176.498 -1.619 1
1 416 . 14 1 1 A 42 42 ASN CA C 42 53.371 56.341 -2.970 1
1 417 . 14 1 1 A 42 42 ASN CB C 42 39.009 38.794 0.215 1
1 418 . 14 1 1 A 42 42 ASN N N 42 116.107 116.591 -0.484 1
1 420 . 14 1 1 A 43 43 PHE H H 43 7.741 7.658 0.083 1
1 421 . 14 1 1 A 43 43 PHE HA H 43 4.448 4.405 0.043 1
1 429 . 14 1 1 A 43 43 PHE CA C 43 58.640 59.795 -1.155 1
1 430 . 14 1 1 A 43 43 PHE CB C 43 40.203 39.901 0.302 1
1 436 . 14 1 1 A 43 43 PHE N N 43 121.284 118.643 2.641 1
1 437 . 14 1 1 A 44 44 VAL H H 44 7.718 7.982 -0.264 1
1 438 . 14 1 1 A 44 44 VAL HA H 44 4.221 4.699 -0.478 1
1 446 . 14 1 1 A 44 44 VAL C C 44 173.190 173.608 -0.418 1
1 447 . 14 1 1 A 44 44 VAL CA C 44 59.177 58.456 0.721 1
1 448 . 14 1 1 A 44 44 VAL CB C 44 33.260 34.883 -1.623 1
1 451 . 14 1 1 A 44 44 VAL N N 44 126.832 126.171 0.661 1
1 452 . 14 1 1 A 45 45 PRO HA H 45 4.114 4.646 -0.532 1
1 459 . 14 1 1 A 45 45 PRO C C 45 176.031 176.783 -0.752 1
1 460 . 14 1 1 A 45 45 PRO CA C 45 62.732 62.621 0.111 1
1 461 . 14 1 1 A 45 45 PRO CB C 45 32.197 32.531 -0.334 1
1 464 . 14 1 1 A 46 46 ALA H H 46 8.199 8.407 -0.208 1
1 465 . 14 1 1 A 46 46 ALA HA H 46 4.161 4.475 -0.314 1
1 469 . 14 1 1 A 46 46 ALA C C 46 176.631 176.582 0.049 1
1 470 . 14 1 1 A 46 46 ALA CA C 46 52.105 52.332 -0.227 1
1 471 . 14 1 1 A 46 46 ALA CB C 46 19.315 19.319 -0.004 1
1 472 . 14 1 1 A 46 46 ALA N N 46 124.122 124.779 -0.657 1
1 473 . 14 1 1 A 47 47 ALA H H 47 7.755 8.707 -0.952 1
1 474 . 14 1 1 A 47 47 ALA HA H 47 4.218 5.111 -0.893 1
1 478 . 14 1 1 A 47 47 ALA C C 47 176.322 175.498 0.824 1
1 479 . 14 1 1 A 47 47 ALA CA C 47 52.140 50.344 1.796 1
1 480 . 14 1 1 A 47 47 ALA CB C 47 20.283 19.875 0.408 1
1 481 . 14 1 1 A 47 47 ALA N N 47 121.689 126.968 -5.279 1
1 482 . 14 1 1 A 48 48 PHE H H 48 8.323 8.718 -0.395 1
1 483 . 14 1 1 A 48 48 PHE HA H 48 4.782 5.112 -0.330 1
1 491 . 14 1 1 A 48 48 PHE C C 48 174.258 174.552 -0.294 1
1 492 . 14 1 1 A 48 48 PHE CA C 48 57.108 56.582 0.526 1
1 493 . 14 1 1 A 48 48 PHE CB C 48 40.615 40.556 0.059 1
1 499 . 14 1 1 A 48 48 PHE N N 48 118.583 122.257 -3.674 1
1 500 . 14 1 1 A 49 49 VAL H H 49 8.584 9.031 -0.447 1
1 501 . 14 1 1 A 49 49 VAL HA H 49 4.829 4.981 -0.152 1
1 509 . 14 1 1 A 49 49 VAL C C 49 175.667 175.880 -0.213 1
1 510 . 14 1 1 A 49 49 VAL CA C 49 60.508 61.485 -0.977 1
1 511 . 14 1 1 A 49 49 VAL CB C 49 35.158 33.238 1.920 1
1 514 . 14 1 1 A 49 49 VAL N N 49 123.555 124.579 -1.024 1
1 515 . 14 1 1 A 50 50 CYS H H 50 9.170 9.338 -0.168 1
1 516 . 14 1 1 A 50 50 CYS HA H 50 4.593 4.525 0.068 1
1 519 . 14 1 1 A 50 50 CYS C C 50 177.661 174.683 2.978 1
1 520 . 14 1 1 A 50 50 CYS CA C 50 59.909 59.335 0.574 1
1 521 . 14 1 1 A 50 50 CYS CB C 50 30.835 28.969 1.866 1
1 522 . 14 1 1 A 50 50 CYS N N 50 128.866 127.530 1.336 1
1 523 . 14 1 1 A 51 51 SER H H 51 9.205 8.873 0.332 1
1 524 . 14 1 1 A 51 51 SER HA H 51 4.271 4.700 -0.429 1
1 527 . 14 1 1 A 51 51 SER C C 51 174.401 175.335 -0.934 1
1 528 . 14 1 1 A 51 51 SER CA C 51 60.890 58.033 2.857 1
1 529 . 14 1 1 A 51 51 SER CB C 51 63.231 65.556 -2.325 1
1 530 . 14 1 1 A 51 51 SER N N 51 128.162 119.835 8.327 1
1 531 . 14 1 1 A 52 52 LYS H H 52 9.118 7.865 1.253 1
1 532 . 14 1 1 A 52 52 LYS HA H 52 4.421 4.354 0.067 1
1 541 . 14 1 1 A 52 52 LYS C C 52 177.831 178.017 -0.186 1
1 542 . 14 1 1 A 52 52 LYS CA C 52 58.535 57.965 0.570 1
1 543 . 14 1 1 A 52 52 LYS CB C 52 34.152 33.501 0.651 1
1 547 . 14 1 1 A 52 52 LYS N N 52 123.970 119.119 4.851 1
1 548 . 14 1 1 A 53 53 CYS H H 53 8.241 8.218 0.023 1
1 549 . 14 1 1 A 53 53 CYS HA H 53 4.999 4.650 0.349 1
1 552 . 14 1 1 A 53 53 CYS C C 53 176.529 175.510 1.019 1
1 553 . 14 1 1 A 53 53 CYS CA C 53 58.587 59.671 -1.084 1
1 554 . 14 1 1 A 53 53 CYS CB C 53 33.353 29.830 3.523 1
1 555 . 14 1 1 A 53 53 CYS N N 53 115.684 114.507 1.177 1
1 556 . 14 1 1 A 54 54 GLY H H 54 8.290 8.233 0.057 1
1 557 . 14 1 1 A 54 54 GLY HA2 H 54 4.226 4.079 0.147 1
1 558 . 14 1 1 A 54 54 GLY HA3 H 54 3.733 4.104 -0.371 1
1 559 . 14 1 1 A 54 54 GLY C C 54 173.761 174.487 -0.726 1
1 560 . 14 1 1 A 54 54 GLY CA C 54 46.147 45.390 0.757 1
1 561 . 14 1 1 A 54 54 GLY N N 54 113.723 110.474 3.249 1
1 562 . 14 1 1 A 55 55 LYS H H 55 8.598 7.952 0.646 1
1 563 . 14 1 1 A 55 55 LYS HA H 55 4.074 4.643 -0.569 1
1 572 . 14 1 1 A 55 55 LYS C C 55 174.748 176.656 -1.908 1
1 573 . 14 1 1 A 55 55 LYS CA C 55 58.270 54.993 3.277 1
1 574 . 14 1 1 A 55 55 LYS CB C 55 33.778 34.162 -0.384 1
1 578 . 14 1 1 A 55 55 LYS N N 55 124.175 121.132 3.043 1
1 579 . 14 1 1 A 56 56 THR H H 56 7.708 8.345 -0.637 1
1 580 . 14 1 1 A 56 56 THR HA H 56 5.028 5.001 0.027 1
1 585 . 14 1 1 A 56 56 THR C C 56 173.673 173.815 -0.142 1
1 586 . 14 1 1 A 56 56 THR CA C 56 60.779 61.180 -0.401 1
1 587 . 14 1 1 A 56 56 THR CB C 56 70.823 70.269 0.554 1
1 589 . 14 1 1 A 56 56 THR N N 56 113.091 114.523 -1.432 1
1 590 . 14 1 1 A 57 57 PHE H H 57 8.944 8.819 0.125 1
1 591 . 14 1 1 A 57 57 PHE HA H 57 4.850 4.924 -0.074 1
1 599 . 14 1 1 A 57 57 PHE C C 57 175.764 175.707 0.057 1
1 600 . 14 1 1 A 57 57 PHE CA C 57 56.949 56.512 0.437 1
1 601 . 14 1 1 A 57 57 PHE CB C 57 43.729 43.611 0.118 1
1 607 . 14 1 1 A 57 57 PHE N N 57 119.958 120.047 -0.089 1
1 608 . 14 1 1 A 58 58 THR HA H 58 4.629 4.523 0.106 1
1 613 . 14 1 1 A 58 58 THR CA C 58 62.738 62.852 -0.114 1
1 614 . 14 1 1 A 58 58 THR CB C 58 69.810 69.490 0.320 1
1 616 . 14 1 1 A 59 59 ARG H H 59 7.422 7.962 -0.540 1
1 617 . 14 1 1 A 59 59 ARG HA H 59 4.740 4.624 0.116 1
1 624 . 14 1 1 A 59 59 ARG CA C 59 54.724 54.228 0.496 1
1 625 . 14 1 1 A 59 59 ARG CB C 59 33.659 32.996 0.663 1
1 628 . 14 1 1 A 59 59 ARG N N 59 118.359 121.154 -2.795 1
1 629 . 14 1 1 A 60 60 ARG HA H 60 2.949 3.197 -0.248 1
1 636 . 14 1 1 A 60 60 ARG CA C 60 59.468 59.042 0.426 1
1 637 . 14 1 1 A 60 60 ARG CB C 60 29.732 29.552 0.180 1
1 640 . 14 1 1 A 61 61 ASN HA H 61 4.332 4.381 -0.049 1
1 645 . 14 1 1 A 61 61 ASN C C 61 177.497 177.816 -0.319 1
1 646 . 14 1 1 A 61 61 ASN CA C 61 56.212 55.822 0.390 1
1 647 . 14 1 1 A 61 61 ASN CB C 61 37.142 37.774 -0.632 1
1 649 . 14 1 1 A 62 62 THR H H 62 7.076 8.061 -0.985 1
1 650 . 14 1 1 A 62 62 THR HA H 62 3.893 3.785 0.108 1
1 655 . 14 1 1 A 62 62 THR C C 62 176.684 175.867 0.817 1
1 656 . 14 1 1 A 62 62 THR CA C 62 65.025 67.172 -2.147 1
1 657 . 14 1 1 A 62 62 THR CB C 62 68.112 68.308 -0.196 1
1 659 . 14 1 1 A 62 62 THR N N 62 115.050 115.230 -0.180 1
1 660 . 14 1 1 A 63 63 MET H H 63 7.149 7.609 -0.460 1
1 661 . 14 1 1 A 63 63 MET HA H 63 2.545 2.831 -0.286 1
1 669 . 14 1 1 A 63 63 MET C C 63 176.978 177.613 -0.635 1
1 670 . 14 1 1 A 63 63 MET CA C 63 58.791 57.640 1.151 1
1 671 . 14 1 1 A 63 63 MET CB C 63 31.556 31.811 -0.255 1
1 674 . 14 1 1 A 63 63 MET N N 63 122.700 119.798 2.902 1
1 675 . 14 1 1 A 64 64 ALA H H 64 8.383 8.353 0.030 1
1 676 . 14 1 1 A 64 64 ALA HA H 64 3.944 3.916 0.028 1
1 680 . 14 1 1 A 64 64 ALA C C 64 179.879 180.051 -0.172 1
1 681 . 14 1 1 A 64 64 ALA CA C 64 55.324 55.266 0.058 1
1 682 . 14 1 1 A 64 64 ALA CB C 64 18.033 18.376 -0.343 1
1 683 . 14 1 1 A 64 64 ALA N N 64 122.001 121.366 0.635 1
1 684 . 14 1 1 A 65 65 ARG H H 65 7.574 8.307 -0.733 1
1 685 . 14 1 1 A 65 65 ARG HA H 65 4.139 3.962 0.177 1
1 692 . 14 1 1 A 65 65 ARG C C 65 178.946 178.661 0.285 1
1 693 . 14 1 1 A 65 65 ARG CA C 65 58.182 59.401 -1.219 1
1 694 . 14 1 1 A 65 65 ARG CB C 65 30.153 29.870 0.283 1
1 697 . 14 1 1 A 65 65 ARG N N 65 116.551 117.362 -0.811 1
1 698 . 14 1 1 A 66 66 HIS H H 66 7.455 8.057 -0.602 1
1 699 . 14 1 1 A 66 66 HIS HA H 66 4.271 4.233 0.038 1
1 704 . 14 1 1 A 66 66 HIS C C 66 177.633 176.622 1.011 1
1 705 . 14 1 1 A 66 66 HIS CA C 66 59.046 59.823 -0.777 1
1 706 . 14 1 1 A 66 66 HIS CB C 66 27.820 29.595 -1.775 1
1 709 . 14 1 1 A 66 66 HIS N N 66 118.483 119.716 -1.233 1
1 710 . 14 1 1 A 67 67 ALA H H 67 8.869 7.927 0.942 1
1 711 . 14 1 1 A 67 67 ALA HA H 67 3.968 3.727 0.241 1
1 715 . 14 1 1 A 67 67 ALA C C 67 179.374 179.483 -0.109 1
1 716 . 14 1 1 A 67 67 ALA CA C 67 55.186 55.156 0.030 1
1 717 . 14 1 1 A 67 67 ALA CB C 67 18.851 18.354 0.497 1
1 718 . 14 1 1 A 67 67 ALA N N 67 122.114 120.618 1.496 1
1 719 . 14 1 1 A 68 68 ASP H H 68 7.476 7.993 -0.517 1
1 720 . 14 1 1 A 68 68 ASP HA H 68 4.401 4.262 0.139 1
1 723 . 14 1 1 A 68 68 ASP C C 68 176.580 177.955 -1.375 1
1 724 . 14 1 1 A 68 68 ASP CA C 68 56.772 57.613 -0.841 1
1 725 . 14 1 1 A 68 68 ASP CB C 68 40.945 40.113 0.832 1
1 726 . 14 1 1 A 68 68 ASP N N 68 116.466 119.802 -3.336 1
1 727 . 14 1 1 A 69 69 ASN H H 69 7.227 7.408 -0.181 1
1 728 . 14 1 1 A 69 69 ASN HA H 69 4.905 4.776 0.129 1
1 733 . 14 1 1 A 69 69 ASN C C 69 173.603 174.979 -1.376 1
1 734 . 14 1 1 A 69 69 ASN CA C 69 52.518 53.288 -0.770 1
1 735 . 14 1 1 A 69 69 ASN CB C 69 40.657 39.393 1.264 1
1 736 . 14 1 1 A 69 69 ASN N N 69 114.158 114.296 -0.138 1
1 738 . 14 1 1 A 70 70 CYS H H 70 7.201 7.481 -0.280 1
1 739 . 14 1 1 A 70 70 CYS HA H 70 3.902 4.254 -0.352 1
1 742 . 14 1 1 A 70 70 CYS C C 70 175.424 175.208 0.216 1
1 743 . 14 1 1 A 70 70 CYS CA C 70 61.195 58.908 2.287 1
1 744 . 14 1 1 A 70 70 CYS CB C 70 29.288 28.264 1.024 1
1 745 . 14 1 1 A 70 70 CYS N N 70 124.154 119.803 4.351 1
1 746 . 14 1 1 A 71 71 ALA H H 71 8.783 8.442 0.341 1
1 747 . 14 1 1 A 71 71 ALA HA H 71 4.562 4.517 0.045 1
1 751 . 14 1 1 A 71 71 ALA C C 71 177.513 177.658 -0.145 1
1 752 . 14 1 1 A 71 71 ALA CA C 71 51.926 51.177 0.749 1
1 753 . 14 1 1 A 71 71 ALA CB C 71 19.698 19.675 0.023 1
1 754 . 14 1 1 A 71 71 ALA N N 71 131.493 128.493 3.000 1
1 755 . 14 1 1 A 72 72 GLY H H 72 8.645 8.348 0.297 1
1 756 . 14 1 1 A 72 72 GLY HA2 H 72 4.469 4.228 0.241 1
1 757 . 14 1 1 A 72 72 GLY HA3 H 72 3.628 4.237 -0.609 1
1 758 . 14 1 1 A 72 72 GLY C C 72 171.320 173.504 -2.184 1
1 759 . 14 1 1 A 72 72 GLY CA C 72 44.286 44.513 -0.227 1
1 760 . 14 1 1 A 72 72 GLY N N 72 110.083 107.280 2.803 1
1 761 . 14 1 1 A 73 73 PRO HA H 73 4.470 4.709 -0.239 1
1 768 . 14 1 1 A 73 73 PRO C C 73 176.905 177.076 -0.171 1
1 769 . 14 1 1 A 73 73 PRO CA C 73 63.706 62.182 1.524 1
1 770 . 14 1 1 A 73 73 PRO CB C 73 32.344 29.811 2.533 1
1 773 . 14 1 1 A 74 74 ASP H H 74 8.506 8.665 -0.159 1
1 774 . 14 1 1 A 74 74 ASP HA H 74 4.659 4.459 0.200 1
1 777 . 14 1 1 A 74 74 ASP C C 74 176.869 176.597 0.272 1
1 778 . 14 1 1 A 74 74 ASP CA C 74 54.617 55.782 -1.165 1
1 779 . 14 1 1 A 74 74 ASP CB C 74 41.335 41.460 -0.125 1
1 780 . 14 1 1 A 74 74 ASP N N 74 120.155 125.382 -5.227 1
1 781 . 14 1 1 A 75 75 GLY H H 75 8.257 7.835 0.422 1
1 782 . 14 1 1 A 75 75 GLY HA2 H 75 4.072 4.035 0.037 1
1 783 . 14 1 1 A 75 75 GLY HA3 H 75 3.965 4.035 -0.070 1
1 784 . 14 1 1 A 75 75 GLY C C 75 174.256 172.185 2.071 1
1 785 . 14 1 1 A 75 75 GLY CA C 75 45.653 44.722 0.931 1
1 786 . 14 1 1 A 75 75 GLY N N 75 108.913 105.764 3.149 1
1 787 . 14 1 1 A 76 76 VAL H H 76 8.079 8.418 -0.339 1
1 788 . 14 1 1 A 76 76 VAL HA H 76 4.169 4.690 -0.521 1
1 796 . 14 1 1 A 76 76 VAL C C 76 176.347 175.678 0.669 1
1 797 . 14 1 1 A 76 76 VAL CA C 76 62.295 60.603 1.692 1
1 798 . 14 1 1 A 76 76 VAL CB C 76 32.871 34.723 -1.852 1
1 801 . 14 1 1 A 76 76 VAL N N 76 119.508 122.413 -2.905 1
1 802 . 14 1 1 A 77 77 GLU H H 77 8.619 8.866 -0.247 1
1 803 . 14 1 1 A 77 77 GLU HA H 77 4.310 3.979 0.331 1
1 808 . 14 1 1 A 77 77 GLU C C 77 177.046 176.736 0.310 1
1 809 . 14 1 1 A 77 77 GLU CA C 77 56.966 59.381 -2.415 1
1 810 . 14 1 1 A 77 77 GLU CB C 77 30.318 29.946 0.372 1
1 812 . 14 1 1 A 77 77 GLU N N 77 125.001 125.906 -0.905 1
1 813 . 14 1 1 A 78 78 GLY H H 78 8.446 7.949 0.497 1
1 814 . 14 1 1 A 78 78 GLY HA2 H 78 3.987 3.958 0.029 1
1 815 . 14 1 1 A 78 78 GLY HA3 H 78 3.987 3.958 0.029 1
1 816 . 14 1 1 A 78 78 GLY C C 78 174.238 172.934 1.304 1
1 817 . 14 1 1 A 78 78 GLY CA C 78 45.283 44.809 0.474 1
1 818 . 14 1 1 A 78 78 GLY N N 78 110.357 106.685 3.672 1
1 819 . 14 1 1 A 79 79 GLU H H 79 8.313 8.567 -0.254 1
1 820 . 14 1 1 A 79 79 GLU HA H 79 4.309 5.051 -0.742 1
1 825 . 14 1 1 A 79 79 GLU C C 79 176.509 175.741 0.768 1
1 826 . 14 1 1 A 79 79 GLU CA C 79 56.755 54.698 2.057 1
1 827 . 14 1 1 A 79 79 GLU CB C 79 30.317 32.675 -2.358 1
1 829 . 14 1 1 A 79 79 GLU N N 79 120.638 124.634 -3.996 1
1 830 . 14 1 1 A 80 80 ASN H H 80 8.588 8.839 -0.251 1
1 831 . 14 1 1 A 80 80 ASN HA H 80 4.801 4.831 -0.030 1
1 834 . 14 1 1 A 80 80 ASN C C 80 175.202 174.454 0.748 1
1 835 . 14 1 1 A 80 80 ASN CA C 80 53.336 53.454 -0.118 1
1 836 . 14 1 1 A 80 80 ASN CB C 80 39.051 39.368 -0.317 1
1 837 . 14 1 1 A 80 80 ASN N N 80 119.808 126.314 -6.506 1
1 838 . 14 1 1 A 81 81 SER H H 81 8.322 8.679 -0.357 1
1 839 . 14 1 1 A 81 81 SER HA H 81 4.517 4.820 -0.303 1
1 842 . 14 1 1 A 81 81 SER C C 81 174.643 174.643 0.000 1
1 843 . 14 1 1 A 81 81 SER CA C 81 58.499 57.908 0.591 1
1 844 . 14 1 1 A 81 81 SER CB C 81 64.056 63.942 0.114 1
1 845 . 14 1 1 A 81 81 SER N N 81 116.318 122.064 -5.746 1
1 846 . 14 1 1 A 82 82 GLY H H 82 8.303 8.644 -0.341 1
1 847 . 14 1 1 A 82 82 GLY HA2 H 82 4.170 4.022 0.148 1
1 848 . 14 1 1 A 82 82 GLY HA3 H 82 4.125 4.023 0.102 1
1 849 . 14 1 1 A 82 82 GLY C C 82 171.855 173.137 -1.282 1
1 850 . 14 1 1 A 82 82 GLY CA C 82 44.719 45.287 -0.568 1
1 851 . 14 1 1 A 82 82 GLY N N 82 110.706 113.052 -2.346 1
1 852 . 14 1 1 A 83 83 PRO HA H 83 4.498 4.784 -0.286 1
1 859 . 14 1 1 A 83 83 PRO C C 83 177.459 175.892 1.567 1
1 860 . 14 1 1 A 83 83 PRO CA C 83 63.274 62.846 0.428 1
1 861 . 14 1 1 A 83 83 PRO CB C 83 32.254 33.156 -0.902 1
1 864 . 14 1 1 A 84 84 SER H H 84 8.541 8.647 -0.106 1
1 865 . 14 1 1 A 84 84 SER HA H 84 4.508 4.743 -0.235 1
1 868 . 14 1 1 A 84 84 SER C C 84 174.744 174.609 0.135 1
1 869 . 14 1 1 A 84 84 SER CA C 84 58.412 58.148 0.264 1
1 870 . 14 1 1 A 84 84 SER CB C 84 64.056 65.854 -1.798 1
1 871 . 14 1 1 A 84 84 SER N N 84 116.449 117.387 -0.938 1
1 872 . 14 1 1 A 85 85 SER H H 85 8.353 9.247 -0.894 1
1 873 . 14 1 1 A 85 85 SER HA H 85 4.517 4.132 0.385 1
1 876 . 14 1 1 A 85 85 SER C C 85 173.953 174.699 -0.746 1
1 877 . 14 1 1 A 85 85 SER CA C 85 58.492 58.847 -0.355 1
1 878 . 14 1 1 A 85 85 SER CB C 85 64.138 61.824 2.314 1
1 879 . 14 1 1 A 85 85 SER N N 85 117.940 120.738 -2.798 1
1 1 . 15 1 1 A 8 8 ARG HA H 8 4.432 4.405 0.027 1
1 7 . 15 1 1 A 8 8 ARG CA C 8 56.069 56.771 -0.702 1
1 8 . 15 1 1 A 8 8 ARG CB C 8 30.974 30.611 0.363 1
1 14 . 15 1 1 A 9 9 THR CB C 9 69.816 68.974 0.842 1
1 16 . 15 1 1 A 10 10 HIS HA H 10 4.730 5.438 -0.708 1
1 21 . 15 1 1 A 10 10 HIS CA C 10 56.345 53.414 2.931 1
1 22 . 15 1 1 A 10 10 HIS CB C 10 31.058 32.488 -1.430 1
1 28 . 15 1 1 A 11 11 THR CB C 11 69.816 69.207 0.609 1
1 30 . 15 1 1 A 12 12 GLY HA2 H 12 3.978 3.933 0.045 1
1 31 . 15 1 1 A 12 12 GLY HA3 H 12 3.978 4.041 -0.063 1
1 32 . 15 1 1 A 12 12 GLY CA C 12 45.442 45.566 -0.124 1
1 33 . 15 1 1 A 13 13 GLU H H 13 8.243 8.829 -0.586 1
1 34 . 15 1 1 A 13 13 GLU HA H 13 4.235 4.978 -0.743 1
1 39 . 15 1 1 A 13 13 GLU CA C 13 56.898 55.273 1.625 1
1 40 . 15 1 1 A 13 13 GLU CB C 13 30.495 31.678 -1.183 1
1 42 . 15 1 1 A 13 13 GLU N N 13 120.364 122.446 -2.082 1
1 43 . 15 1 1 A 14 14 LYS H H 14 8.276 8.402 -0.126 1
1 44 . 15 1 1 A 14 14 LYS HA H 14 4.528 5.003 -0.475 1
1 53 . 15 1 1 A 14 14 LYS CA C 14 54.009 52.666 1.343 1
1 54 . 15 1 1 A 14 14 LYS CB C 14 32.667 33.469 -0.802 1
1 58 . 15 1 1 A 14 14 LYS N N 14 121.981 121.070 0.911 1
1 59 . 15 1 1 A 15 15 PRO HA H 15 4.347 4.345 0.002 1
1 66 . 15 1 1 A 15 15 PRO CA C 15 63.237 64.995 -1.758 1
1 67 . 15 1 1 A 15 15 PRO CB C 15 32.365 31.825 0.540 1
1 70 . 15 1 1 A 16 16 TYR H H 16 8.234 7.590 0.644 1
1 71 . 15 1 1 A 16 16 TYR HA H 16 4.508 4.700 -0.192 1
1 78 . 15 1 1 A 16 16 TYR C C 16 174.453 174.900 -0.447 1
1 79 . 15 1 1 A 16 16 TYR CA C 16 58.076 57.490 0.586 1
1 80 . 15 1 1 A 16 16 TYR CB C 16 38.346 37.918 0.428 1
1 85 . 15 1 1 A 16 16 TYR N N 16 118.751 117.891 0.860 1
1 86 . 15 1 1 A 17 17 ALA H H 17 8.567 9.022 -0.455 1
1 87 . 15 1 1 A 17 17 ALA HA H 17 4.754 5.331 -0.577 1
1 91 . 15 1 1 A 17 17 ALA C C 17 176.249 176.576 -0.327 1
1 92 . 15 1 1 A 17 17 ALA CA C 17 51.274 50.552 0.722 1
1 93 . 15 1 1 A 17 17 ALA CB C 17 20.625 21.137 -0.512 1
1 94 . 15 1 1 A 17 17 ALA N N 17 127.897 128.211 -0.314 1
1 95 . 15 1 1 A 18 18 CYS H H 18 8.464 9.284 -0.820 1
1 96 . 15 1 1 A 18 18 CYS HA H 18 4.538 4.576 -0.038 1
1 99 . 15 1 1 A 18 18 CYS C C 18 175.739 175.187 0.552 1
1 100 . 15 1 1 A 18 18 CYS CA C 18 60.966 60.216 0.750 1
1 101 . 15 1 1 A 18 18 CYS CB C 18 29.435 28.828 0.607 1
1 102 . 15 1 1 A 18 18 CYS N N 18 125.366 123.154 2.212 1
1 103 . 15 1 1 A 19 19 SER H H 19 8.439 9.183 -0.744 1
1 104 . 15 1 1 A 19 19 SER HA H 19 4.426 4.516 -0.090 1
1 107 . 15 1 1 A 19 19 SER C C 19 175.890 176.841 -0.951 1
1 108 . 15 1 1 A 19 19 SER CA C 19 60.085 61.638 -1.553 1
1 109 . 15 1 1 A 19 19 SER CB C 19 64.097 63.763 0.334 1
1 110 . 15 1 1 A 19 19 SER N N 19 121.912 122.402 -0.490 1
1 111 . 15 1 1 A 20 20 HIS H H 20 9.949 8.181 1.768 1
1 112 . 15 1 1 A 20 20 HIS HA H 20 4.579 4.375 0.204 1
1 117 . 15 1 1 A 20 20 HIS C C 20 174.670 175.578 -0.908 1
1 118 . 15 1 1 A 20 20 HIS CA C 20 57.354 58.983 -1.629 1
1 119 . 15 1 1 A 20 20 HIS CB C 20 30.787 29.147 1.640 1
1 122 . 15 1 1 A 20 20 HIS N N 20 126.154 119.051 7.103 1
1 123 . 15 1 1 A 21 21 CYS H H 21 7.972 8.083 -0.111 1
1 124 . 15 1 1 A 21 21 CYS HA H 21 4.947 4.876 0.071 1
1 127 . 15 1 1 A 21 21 CYS C C 21 172.879 173.539 -0.660 1
1 128 . 15 1 1 A 21 21 CYS CA C 21 58.891 56.733 2.158 1
1 129 . 15 1 1 A 21 21 CYS CB C 21 29.766 30.659 -0.893 1
1 130 . 15 1 1 A 21 21 CYS N N 21 119.638 114.741 4.897 1
1 131 . 15 1 1 A 22 22 ASP H H 22 8.167 8.672 -0.505 1
1 132 . 15 1 1 A 22 22 ASP HA H 22 4.668 4.805 -0.137 1
1 135 . 15 1 1 A 22 22 ASP C C 22 176.857 174.684 2.173 1
1 136 . 15 1 1 A 22 22 ASP CA C 22 54.587 53.086 1.501 1
1 137 . 15 1 1 A 22 22 ASP CB C 22 40.758 39.826 0.932 1
1 138 . 15 1 1 A 22 22 ASP N N 22 115.180 121.993 -6.813 1
1 139 . 15 1 1 A 23 23 LYS H H 23 8.407 7.670 0.737 1
1 140 . 15 1 1 A 23 23 LYS HA H 23 4.085 4.739 -0.654 1
1 148 . 15 1 1 A 23 23 LYS C C 23 175.732 176.009 -0.277 1
1 149 . 15 1 1 A 23 23 LYS CA C 23 57.537 54.566 2.971 1
1 150 . 15 1 1 A 23 23 LYS CB C 23 33.593 35.130 -1.537 1
1 154 . 15 1 1 A 23 23 LYS N N 23 122.302 121.587 0.715 1
1 155 . 15 1 1 A 24 24 THR H H 24 7.462 8.397 -0.935 1
1 156 . 15 1 1 A 24 24 THR HA H 24 5.018 5.481 -0.463 1
1 161 . 15 1 1 A 24 24 THR C C 24 173.047 172.688 0.359 1
1 162 . 15 1 1 A 24 24 THR CA C 24 59.500 58.885 0.615 1
1 163 . 15 1 1 A 24 24 THR CB C 24 71.795 72.180 -0.385 1
1 165 . 15 1 1 A 24 24 THR N N 24 110.405 111.874 -1.469 1
1 166 . 15 1 1 A 25 25 PHE H H 25 8.750 8.930 -0.180 1
1 167 . 15 1 1 A 25 25 PHE HA H 25 4.886 4.928 -0.042 1
1 175 . 15 1 1 A 25 25 PHE C C 25 175.982 175.595 0.387 1
1 176 . 15 1 1 A 25 25 PHE CA C 25 57.301 56.486 0.815 1
1 177 . 15 1 1 A 25 25 PHE CB C 25 44.782 43.322 1.460 1
1 183 . 15 1 1 A 25 25 PHE N N 25 116.161 117.869 -1.708 1
1 184 . 15 1 1 A 26 26 ARG HA H 26 4.550 4.371 0.179 1
1 191 . 15 1 1 A 26 26 ARG C C 26 175.820 176.368 -0.548 1
1 192 . 15 1 1 A 26 26 ARG CA C 26 57.830 58.664 -0.834 1
1 193 . 15 1 1 A 26 26 ARG CB C 26 31.465 30.359 1.106 1
1 196 . 15 1 1 A 27 27 GLN H H 27 7.052 7.732 -0.680 1
1 197 . 15 1 1 A 27 27 GLN HA H 27 4.820 4.381 0.439 1
1 204 . 15 1 1 A 27 27 GLN C C 27 175.929 175.816 0.113 1
1 205 . 15 1 1 A 27 27 GLN CA C 27 53.971 54.927 -0.956 1
1 206 . 15 1 1 A 27 27 GLN CB C 27 32.968 29.999 2.969 1
1 208 . 15 1 1 A 27 27 GLN N N 27 111.833 118.456 -6.623 1
1 210 . 15 1 1 A 28 28 LYS H H 28 8.616 8.284 0.332 1
1 211 . 15 1 1 A 28 28 LYS HA H 28 3.013 3.255 -0.242 1
1 220 . 15 1 1 A 28 28 LYS C C 28 177.891 177.977 -0.086 1
1 221 . 15 1 1 A 28 28 LYS CA C 28 59.351 59.928 -0.577 1
1 222 . 15 1 1 A 28 28 LYS CB C 28 31.901 31.870 0.031 1
1 226 . 15 1 1 A 28 28 LYS N N 28 127.969 125.784 2.185 1
1 227 . 15 1 1 A 29 29 GLN H H 29 9.039 7.667 1.372 1
1 228 . 15 1 1 A 29 29 GLN HA H 29 4.110 3.906 0.204 1
1 235 . 15 1 1 A 29 29 GLN C C 29 178.275 178.170 0.105 1
1 236 . 15 1 1 A 29 29 GLN CA C 29 59.073 58.747 0.326 1
1 237 . 15 1 1 A 29 29 GLN CB C 29 27.673 28.363 -0.690 1
1 239 . 15 1 1 A 29 29 GLN N N 29 116.426 118.602 -2.176 1
1 241 . 15 1 1 A 30 30 LEU H H 30 6.687 7.903 -1.216 1
1 242 . 15 1 1 A 30 30 LEU HA H 30 4.105 3.859 0.246 1
1 252 . 15 1 1 A 30 30 LEU C C 30 179.455 178.510 0.945 1
1 253 . 15 1 1 A 30 30 LEU CA C 30 56.878 57.607 -0.729 1
1 254 . 15 1 1 A 30 30 LEU CB C 30 41.552 42.082 -0.530 1
1 258 . 15 1 1 A 30 30 LEU N N 30 116.469 120.111 -3.642 1
1 259 . 15 1 1 A 31 31 LEU H H 31 6.875 7.284 -0.409 1
1 260 . 15 1 1 A 31 31 LEU HA H 31 3.174 2.402 0.772 1
1 270 . 15 1 1 A 31 31 LEU C C 31 177.599 178.026 -0.427 1
1 271 . 15 1 1 A 31 31 LEU CA C 31 57.829 57.172 0.657 1
1 272 . 15 1 1 A 31 31 LEU CB C 31 39.945 41.083 -1.138 1
1 276 . 15 1 1 A 31 31 LEU N N 31 122.863 118.905 3.958 1
1 277 . 15 1 1 A 32 32 ASP H H 32 8.429 8.198 0.231 1
1 278 . 15 1 1 A 32 32 ASP HA H 32 4.356 4.252 0.104 1
1 281 . 15 1 1 A 32 32 ASP C C 32 179.142 178.140 1.002 1
1 282 . 15 1 1 A 32 32 ASP CA C 32 57.830 57.218 0.612 1
1 283 . 15 1 1 A 32 32 ASP CB C 32 39.978 40.967 -0.989 1
1 284 . 15 1 1 A 32 32 ASP N N 32 120.350 119.050 1.300 1
1 285 . 15 1 1 A 33 33 MET H H 33 7.738 8.436 -0.698 1
1 286 . 15 1 1 A 33 33 MET HA H 33 4.167 3.826 0.341 1
1 294 . 15 1 1 A 33 33 MET C C 33 178.463 177.931 0.532 1
1 295 . 15 1 1 A 33 33 MET CA C 33 58.454 57.892 0.562 1
1 296 . 15 1 1 A 33 33 MET CB C 33 32.924 32.251 0.673 1
1 299 . 15 1 1 A 33 33 MET N N 33 118.109 118.690 -0.581 1
1 300 . 15 1 1 A 34 34 HIS H H 34 7.632 8.224 -0.592 1
1 301 . 15 1 1 A 34 34 HIS HA H 34 4.396 4.214 0.182 1
1 306 . 15 1 1 A 34 34 HIS C C 34 176.258 176.816 -0.558 1
1 307 . 15 1 1 A 34 34 HIS CA C 34 59.715 59.093 0.622 1
1 308 . 15 1 1 A 34 34 HIS CB C 34 28.594 29.665 -1.071 1
1 311 . 15 1 1 A 34 34 HIS N N 34 120.242 120.726 -0.484 1
1 312 . 15 1 1 A 35 35 PHE H H 35 9.373 7.744 1.629 1
1 313 . 15 1 1 A 35 35 PHE HA H 35 3.726 3.868 -0.142 1
1 321 . 15 1 1 A 35 35 PHE C C 35 178.043 177.365 0.678 1
1 322 . 15 1 1 A 35 35 PHE CA C 35 62.870 61.132 1.738 1
1 323 . 15 1 1 A 35 35 PHE CB C 35 39.846 39.134 0.712 1
1 329 . 15 1 1 A 35 35 PHE N N 35 121.691 120.154 1.537 1
1 330 . 15 1 1 A 36 36 LYS H H 36 7.861 7.945 -0.084 1
1 331 . 15 1 1 A 36 36 LYS HA H 36 4.139 4.415 -0.276 1
1 340 . 15 1 1 A 36 36 LYS C C 36 176.843 178.615 -1.772 1
1 341 . 15 1 1 A 36 36 LYS CA C 36 58.198 58.727 -0.529 1
1 342 . 15 1 1 A 36 36 LYS CB C 36 32.906 32.353 0.553 1
1 346 . 15 1 1 A 36 36 LYS N N 36 118.022 118.089 -0.067 1
1 347 . 15 1 1 A 37 37 ARG H H 37 7.298 7.527 -0.229 1
1 348 . 15 1 1 A 37 37 ARG HA H 37 3.717 4.361 -0.644 1
1 355 . 15 1 1 A 37 37 ARG C C 37 177.872 178.374 -0.502 1
1 356 . 15 1 1 A 37 37 ARG CA C 37 57.874 58.230 -0.356 1
1 357 . 15 1 1 A 37 37 ARG CB C 37 30.619 30.833 -0.214 1
1 360 . 15 1 1 A 37 37 ARG N N 37 114.740 120.463 -5.723 1
1 361 . 15 1 1 A 38 38 TYR H H 38 7.779 8.293 -0.514 1
1 362 . 15 1 1 A 38 38 TYR HA H 38 4.146 4.197 -0.051 1
1 369 . 15 1 1 A 38 38 TYR C C 38 176.160 178.532 -2.372 1
1 370 . 15 1 1 A 38 38 TYR CA C 38 59.941 60.147 -0.206 1
1 371 . 15 1 1 A 38 38 TYR CB C 38 38.516 38.191 0.325 1
1 376 . 15 1 1 A 38 38 TYR N N 38 112.257 118.579 -6.322 1
1 377 . 15 1 1 A 39 39 HIS H H 39 7.679 7.650 0.029 1
1 378 . 15 1 1 A 39 39 HIS HA H 39 4.943 4.367 0.576 1
1 383 . 15 1 1 A 39 39 HIS C C 39 173.845 175.215 -1.370 1
1 384 . 15 1 1 A 39 39 HIS CA C 39 54.045 58.107 -4.062 1
1 385 . 15 1 1 A 39 39 HIS CB C 39 29.490 28.955 0.535 1
1 388 . 15 1 1 A 39 39 HIS N N 39 114.679 116.860 -2.181 1
1 389 . 15 1 1 A 40 40 ASP H H 40 7.317 7.472 -0.155 1
1 390 . 15 1 1 A 40 40 ASP HA H 40 4.800 4.937 -0.137 1
1 393 . 15 1 1 A 40 40 ASP C C 40 175.035 174.980 0.055 1
1 394 . 15 1 1 A 40 40 ASP CA C 40 51.697 50.488 1.209 1
1 395 . 15 1 1 A 40 40 ASP CB C 40 42.630 43.621 -0.991 1
1 396 . 15 1 1 A 40 40 ASP N N 40 119.125 118.281 0.844 1
1 397 . 15 1 1 A 41 41 PRO HA H 41 4.552 4.389 0.163 1
1 404 . 15 1 1 A 41 41 PRO C C 41 177.331 178.025 -0.694 1
1 405 . 15 1 1 A 41 41 PRO CA C 41 64.019 64.048 -0.029 1
1 406 . 15 1 1 A 41 41 PRO CB C 41 32.235 31.846 0.389 1
1 409 . 15 1 1 A 42 42 ASN H H 42 8.484 8.749 -0.265 1
1 410 . 15 1 1 A 42 42 ASN HA H 42 4.703 4.560 0.143 1
1 415 . 15 1 1 A 42 42 ASN C C 42 174.879 176.628 -1.749 1
1 416 . 15 1 1 A 42 42 ASN CA C 42 53.371 56.453 -3.082 1
1 417 . 15 1 1 A 42 42 ASN CB C 42 39.009 38.466 0.543 1
1 418 . 15 1 1 A 42 42 ASN N N 42 116.107 116.696 -0.589 1
1 420 . 15 1 1 A 43 43 PHE H H 43 7.741 7.748 -0.007 1
1 421 . 15 1 1 A 43 43 PHE HA H 43 4.448 4.366 0.082 1
1 429 . 15 1 1 A 43 43 PHE CA C 43 58.640 59.822 -1.182 1
1 430 . 15 1 1 A 43 43 PHE CB C 43 40.203 39.846 0.357 1
1 436 . 15 1 1 A 43 43 PHE N N 43 121.284 118.531 2.753 1
1 437 . 15 1 1 A 44 44 VAL H H 44 7.718 8.167 -0.449 1
1 438 . 15 1 1 A 44 44 VAL HA H 44 4.221 4.799 -0.578 1
1 446 . 15 1 1 A 44 44 VAL C C 44 173.190 173.391 -0.201 1
1 447 . 15 1 1 A 44 44 VAL CA C 44 59.177 58.354 0.823 1
1 448 . 15 1 1 A 44 44 VAL CB C 44 33.260 34.749 -1.489 1
1 451 . 15 1 1 A 44 44 VAL N N 44 126.832 126.462 0.370 1
1 452 . 15 1 1 A 45 45 PRO HA H 45 4.114 4.760 -0.646 1
1 459 . 15 1 1 A 45 45 PRO C C 45 176.031 177.425 -1.394 1
1 460 . 15 1 1 A 45 45 PRO CA C 45 62.732 62.235 0.497 1
1 461 . 15 1 1 A 45 45 PRO CB C 45 32.197 32.603 -0.406 1
1 464 . 15 1 1 A 46 46 ALA H H 46 8.199 8.405 -0.206 1
1 465 . 15 1 1 A 46 46 ALA HA H 46 4.161 4.448 -0.287 1
1 469 . 15 1 1 A 46 46 ALA C C 46 176.631 176.734 -0.103 1
1 470 . 15 1 1 A 46 46 ALA CA C 46 52.105 52.334 -0.229 1
1 471 . 15 1 1 A 46 46 ALA CB C 46 19.315 19.483 -0.168 1
1 472 . 15 1 1 A 46 46 ALA N N 46 124.122 125.982 -1.860 1
1 473 . 15 1 1 A 47 47 ALA H H 47 7.755 8.577 -0.822 1
1 474 . 15 1 1 A 47 47 ALA HA H 47 4.218 5.139 -0.921 1
1 478 . 15 1 1 A 47 47 ALA C C 47 176.322 175.549 0.773 1
1 479 . 15 1 1 A 47 47 ALA CA C 47 52.140 50.512 1.628 1
1 480 . 15 1 1 A 47 47 ALA CB C 47 20.283 20.160 0.123 1
1 481 . 15 1 1 A 47 47 ALA N N 47 121.689 126.740 -5.051 1
1 482 . 15 1 1 A 48 48 PHE H H 48 8.323 8.778 -0.455 1
1 483 . 15 1 1 A 48 48 PHE HA H 48 4.782 5.136 -0.354 1
1 491 . 15 1 1 A 48 48 PHE C C 48 174.258 174.405 -0.147 1
1 492 . 15 1 1 A 48 48 PHE CA C 48 57.108 56.902 0.206 1
1 493 . 15 1 1 A 48 48 PHE CB C 48 40.615 40.748 -0.133 1
1 499 . 15 1 1 A 48 48 PHE N N 48 118.583 122.951 -4.368 1
1 500 . 15 1 1 A 49 49 VAL H H 49 8.584 9.218 -0.634 1
1 501 . 15 1 1 A 49 49 VAL HA H 49 4.829 5.002 -0.173 1
1 509 . 15 1 1 A 49 49 VAL C C 49 175.667 175.496 0.171 1
1 510 . 15 1 1 A 49 49 VAL CA C 49 60.508 60.945 -0.437 1
1 511 . 15 1 1 A 49 49 VAL CB C 49 35.158 34.354 0.804 1
1 514 . 15 1 1 A 49 49 VAL N N 49 123.555 123.215 0.340 1
1 515 . 15 1 1 A 50 50 CYS H H 50 9.170 9.012 0.158 1
1 516 . 15 1 1 A 50 50 CYS HA H 50 4.593 4.636 -0.043 1
1 519 . 15 1 1 A 50 50 CYS C C 50 177.661 175.774 1.887 1
1 520 . 15 1 1 A 50 50 CYS CA C 50 59.909 60.000 -0.091 1
1 521 . 15 1 1 A 50 50 CYS CB C 50 30.835 28.565 2.270 1
1 522 . 15 1 1 A 50 50 CYS N N 50 128.866 127.582 1.284 1
1 523 . 15 1 1 A 51 51 SER H H 51 9.205 9.076 0.129 1
1 524 . 15 1 1 A 51 51 SER HA H 51 4.271 4.609 -0.338 1
1 527 . 15 1 1 A 51 51 SER C C 51 174.401 174.915 -0.514 1
1 528 . 15 1 1 A 51 51 SER CA C 51 60.890 58.848 2.042 1
1 529 . 15 1 1 A 51 51 SER CB C 51 63.231 63.828 -0.597 1
1 530 . 15 1 1 A 51 51 SER N N 51 128.162 122.627 5.535 1
1 531 . 15 1 1 A 52 52 LYS H H 52 9.118 7.689 1.429 1
1 532 . 15 1 1 A 52 52 LYS HA H 52 4.421 4.318 0.103 1
1 541 . 15 1 1 A 52 52 LYS C C 52 177.831 178.259 -0.428 1
1 542 . 15 1 1 A 52 52 LYS CA C 52 58.535 58.126 0.409 1
1 543 . 15 1 1 A 52 52 LYS CB C 52 34.152 33.481 0.671 1
1 547 . 15 1 1 A 52 52 LYS N N 52 123.970 119.751 4.219 1
1 548 . 15 1 1 A 53 53 CYS H H 53 8.241 8.200 0.041 1
1 549 . 15 1 1 A 53 53 CYS HA H 53 4.999 4.612 0.387 1
1 552 . 15 1 1 A 53 53 CYS C C 53 176.529 175.428 1.101 1
1 553 . 15 1 1 A 53 53 CYS CA C 53 58.587 59.597 -1.010 1
1 554 . 15 1 1 A 53 53 CYS CB C 53 33.353 29.469 3.884 1
1 555 . 15 1 1 A 53 53 CYS N N 53 115.684 113.803 1.881 1
1 556 . 15 1 1 A 54 54 GLY H H 54 8.290 8.236 0.054 1
1 557 . 15 1 1 A 54 54 GLY HA2 H 54 4.226 4.069 0.157 1
1 558 . 15 1 1 A 54 54 GLY HA3 H 54 3.733 4.089 -0.356 1
1 559 . 15 1 1 A 54 54 GLY C C 54 173.761 174.533 -0.772 1
1 560 . 15 1 1 A 54 54 GLY CA C 54 46.147 45.397 0.750 1
1 561 . 15 1 1 A 54 54 GLY N N 54 113.723 110.333 3.390 1
1 562 . 15 1 1 A 55 55 LYS H H 55 8.598 7.910 0.688 1
1 563 . 15 1 1 A 55 55 LYS HA H 55 4.074 4.638 -0.564 1
1 572 . 15 1 1 A 55 55 LYS C C 55 174.748 175.629 -0.881 1
1 573 . 15 1 1 A 55 55 LYS CA C 55 58.270 55.628 2.642 1
1 574 . 15 1 1 A 55 55 LYS CB C 55 33.778 34.558 -0.780 1
1 578 . 15 1 1 A 55 55 LYS N N 55 124.175 119.289 4.886 1
1 579 . 15 1 1 A 56 56 THR H H 56 7.708 8.617 -0.909 1
1 580 . 15 1 1 A 56 56 THR HA H 56 5.028 5.499 -0.471 1
1 585 . 15 1 1 A 56 56 THR C C 56 173.673 173.261 0.412 1
1 586 . 15 1 1 A 56 56 THR CA C 56 60.779 59.497 1.282 1
1 587 . 15 1 1 A 56 56 THR CB C 56 70.823 71.622 -0.799 1
1 589 . 15 1 1 A 56 56 THR N N 56 113.091 111.898 1.193 1
1 590 . 15 1 1 A 57 57 PHE H H 57 8.944 8.718 0.226 1
1 591 . 15 1 1 A 57 57 PHE HA H 57 4.850 4.989 -0.139 1
1 599 . 15 1 1 A 57 57 PHE C C 57 175.764 175.783 -0.019 1
1 600 . 15 1 1 A 57 57 PHE CA C 57 56.949 56.358 0.591 1
1 601 . 15 1 1 A 57 57 PHE CB C 57 43.729 43.870 -0.141 1
1 607 . 15 1 1 A 57 57 PHE N N 57 119.958 119.270 0.688 1
1 608 . 15 1 1 A 58 58 THR HA H 58 4.629 4.542 0.087 1
1 613 . 15 1 1 A 58 58 THR CA C 58 62.738 63.513 -0.775 1
1 614 . 15 1 1 A 58 58 THR CB C 58 69.810 69.889 -0.079 1
1 616 . 15 1 1 A 59 59 ARG H H 59 7.422 7.926 -0.504 1
1 617 . 15 1 1 A 59 59 ARG HA H 59 4.740 4.604 0.136 1
1 624 . 15 1 1 A 59 59 ARG CA C 59 54.724 54.049 0.675 1
1 625 . 15 1 1 A 59 59 ARG CB C 59 33.659 32.973 0.686 1
1 628 . 15 1 1 A 59 59 ARG N N 59 118.359 121.187 -2.828 1
1 629 . 15 1 1 A 60 60 ARG HA H 60 2.949 3.127 -0.178 1
1 636 . 15 1 1 A 60 60 ARG CA C 60 59.468 59.324 0.144 1
1 637 . 15 1 1 A 60 60 ARG CB C 60 29.732 29.516 0.216 1
1 640 . 15 1 1 A 61 61 ASN HA H 61 4.332 4.239 0.093 1
1 645 . 15 1 1 A 61 61 ASN C C 61 177.497 177.957 -0.460 1
1 646 . 15 1 1 A 61 61 ASN CA C 61 56.212 56.466 -0.254 1
1 647 . 15 1 1 A 61 61 ASN CB C 61 37.142 38.090 -0.948 1
1 649 . 15 1 1 A 62 62 THR H H 62 7.076 7.954 -0.878 1
1 650 . 15 1 1 A 62 62 THR HA H 62 3.893 3.844 0.049 1
1 655 . 15 1 1 A 62 62 THR C C 62 176.684 175.603 1.081 1
1 656 . 15 1 1 A 62 62 THR CA C 62 65.025 67.275 -2.250 1
1 657 . 15 1 1 A 62 62 THR CB C 62 68.112 68.479 -0.367 1
1 659 . 15 1 1 A 62 62 THR N N 62 115.050 116.193 -1.143 1
1 660 . 15 1 1 A 63 63 MET H H 63 7.149 7.932 -0.783 1
1 661 . 15 1 1 A 63 63 MET HA H 63 2.545 3.078 -0.533 1
1 669 . 15 1 1 A 63 63 MET C C 63 176.978 177.657 -0.679 1
1 670 . 15 1 1 A 63 63 MET CA C 63 58.791 57.783 1.008 1
1 671 . 15 1 1 A 63 63 MET CB C 63 31.556 31.749 -0.193 1
1 674 . 15 1 1 A 63 63 MET N N 63 122.700 119.841 2.859 1
1 675 . 15 1 1 A 64 64 ALA H H 64 8.383 8.505 -0.122 1
1 676 . 15 1 1 A 64 64 ALA HA H 64 3.944 3.986 -0.042 1
1 680 . 15 1 1 A 64 64 ALA C C 64 179.879 179.978 -0.099 1
1 681 . 15 1 1 A 64 64 ALA CA C 64 55.324 55.398 -0.074 1
1 682 . 15 1 1 A 64 64 ALA CB C 64 18.033 18.530 -0.497 1
1 683 . 15 1 1 A 64 64 ALA N N 64 122.001 121.169 0.832 1
1 684 . 15 1 1 A 65 65 ARG H H 65 7.574 7.842 -0.268 1
1 685 . 15 1 1 A 65 65 ARG HA H 65 4.139 3.987 0.152 1
1 692 . 15 1 1 A 65 65 ARG C C 65 178.946 178.720 0.226 1
1 693 . 15 1 1 A 65 65 ARG CA C 65 58.182 59.382 -1.200 1
1 694 . 15 1 1 A 65 65 ARG CB C 65 30.153 29.732 0.421 1
1 697 . 15 1 1 A 65 65 ARG N N 65 116.551 117.511 -0.960 1
1 698 . 15 1 1 A 66 66 HIS H H 66 7.455 7.878 -0.423 1
1 699 . 15 1 1 A 66 66 HIS HA H 66 4.271 4.218 0.053 1
1 704 . 15 1 1 A 66 66 HIS C C 66 177.633 176.947 0.686 1
1 705 . 15 1 1 A 66 66 HIS CA C 66 59.046 59.666 -0.620 1
1 706 . 15 1 1 A 66 66 HIS CB C 66 27.820 29.595 -1.775 1
1 709 . 15 1 1 A 66 66 HIS N N 66 118.483 119.676 -1.193 1
1 710 . 15 1 1 A 67 67 ALA H H 67 8.869 8.070 0.799 1
1 711 . 15 1 1 A 67 67 ALA HA H 67 3.968 3.722 0.246 1
1 715 . 15 1 1 A 67 67 ALA C C 67 179.374 179.411 -0.037 1
1 716 . 15 1 1 A 67 67 ALA CA C 67 55.186 55.085 0.101 1
1 717 . 15 1 1 A 67 67 ALA CB C 67 18.851 18.113 0.738 1
1 718 . 15 1 1 A 67 67 ALA N N 67 122.114 120.872 1.242 1
1 719 . 15 1 1 A 68 68 ASP H H 68 7.476 7.958 -0.482 1
1 720 . 15 1 1 A 68 68 ASP HA H 68 4.401 4.212 0.189 1
1 723 . 15 1 1 A 68 68 ASP C C 68 176.580 178.799 -2.219 1
1 724 . 15 1 1 A 68 68 ASP CA C 68 56.772 57.595 -0.823 1
1 725 . 15 1 1 A 68 68 ASP CB C 68 40.945 40.118 0.827 1
1 726 . 15 1 1 A 68 68 ASP N N 68 116.466 119.619 -3.153 1
1 727 . 15 1 1 A 69 69 ASN H H 69 7.227 7.398 -0.171 1
1 728 . 15 1 1 A 69 69 ASN HA H 69 4.905 4.614 0.291 1
1 733 . 15 1 1 A 69 69 ASN C C 69 173.603 175.439 -1.836 1
1 734 . 15 1 1 A 69 69 ASN CA C 69 52.518 54.878 -2.360 1
1 735 . 15 1 1 A 69 69 ASN CB C 69 40.657 38.638 2.019 1
1 736 . 15 1 1 A 69 69 ASN N N 69 114.158 114.962 -0.804 1
1 738 . 15 1 1 A 70 70 CYS H H 70 7.201 7.476 -0.275 1
1 739 . 15 1 1 A 70 70 CYS HA H 70 3.902 4.305 -0.403 1
1 742 . 15 1 1 A 70 70 CYS C C 70 175.424 174.104 1.320 1
1 743 . 15 1 1 A 70 70 CYS CA C 70 61.195 58.888 2.307 1
1 744 . 15 1 1 A 70 70 CYS CB C 70 29.288 28.718 0.570 1
1 745 . 15 1 1 A 70 70 CYS N N 70 124.154 118.273 5.881 1
1 746 . 15 1 1 A 71 71 ALA H H 71 8.783 8.845 -0.062 1
1 747 . 15 1 1 A 71 71 ALA HA H 71 4.562 4.516 0.046 1
1 751 . 15 1 1 A 71 71 ALA C C 71 177.513 177.271 0.242 1
1 752 . 15 1 1 A 71 71 ALA CA C 71 51.926 52.431 -0.505 1
1 753 . 15 1 1 A 71 71 ALA CB C 71 19.698 21.472 -1.774 1
1 754 . 15 1 1 A 71 71 ALA N N 71 131.493 125.717 5.776 1
1 755 . 15 1 1 A 72 72 GLY H H 72 8.645 7.361 1.284 1
1 756 . 15 1 1 A 72 72 GLY HA2 H 72 4.469 4.051 0.418 1
1 757 . 15 1 1 A 72 72 GLY HA3 H 72 3.628 4.058 -0.430 1
1 758 . 15 1 1 A 72 72 GLY C C 72 171.320 170.947 0.373 1
1 759 . 15 1 1 A 72 72 GLY CA C 72 44.286 45.284 -0.998 1
1 760 . 15 1 1 A 72 72 GLY N N 72 110.083 102.290 7.793 1
1 761 . 15 1 1 A 73 73 PRO HA H 73 4.470 4.784 -0.314 1
1 768 . 15 1 1 A 73 73 PRO C C 73 176.905 175.825 1.080 1
1 769 . 15 1 1 A 73 73 PRO CA C 73 63.706 62.761 0.945 1
1 770 . 15 1 1 A 73 73 PRO CB C 73 32.344 32.311 0.033 1
1 773 . 15 1 1 A 74 74 ASP H H 74 8.506 8.499 0.007 1
1 774 . 15 1 1 A 74 74 ASP HA H 74 4.659 5.134 -0.475 1
1 777 . 15 1 1 A 74 74 ASP C C 74 176.869 175.248 1.621 1
1 778 . 15 1 1 A 74 74 ASP CA C 74 54.617 53.762 0.855 1
1 779 . 15 1 1 A 74 74 ASP CB C 74 41.335 44.248 -2.913 1
1 780 . 15 1 1 A 74 74 ASP N N 74 120.155 117.624 2.531 1
1 781 . 15 1 1 A 75 75 GLY H H 75 8.257 8.816 -0.559 1
1 782 . 15 1 1 A 75 75 GLY HA2 H 75 4.072 4.082 -0.010 1
1 783 . 15 1 1 A 75 75 GLY HA3 H 75 3.965 4.085 -0.120 1
1 784 . 15 1 1 A 75 75 GLY C C 75 174.256 173.103 1.153 1
1 785 . 15 1 1 A 75 75 GLY CA C 75 45.653 44.433 1.220 1
1 786 . 15 1 1 A 75 75 GLY N N 75 108.913 109.227 -0.314 1
1 787 . 15 1 1 A 76 76 VAL H H 76 8.079 8.152 -0.073 1
1 788 . 15 1 1 A 76 76 VAL HA H 76 4.169 4.685 -0.516 1
1 796 . 15 1 1 A 76 76 VAL C C 76 176.347 174.717 1.630 1
1 797 . 15 1 1 A 76 76 VAL CA C 76 62.295 60.031 2.264 1
1 798 . 15 1 1 A 76 76 VAL CB C 76 32.871 34.140 -1.269 1
1 801 . 15 1 1 A 76 76 VAL N N 76 119.508 118.392 1.116 1
1 802 . 15 1 1 A 77 77 GLU H H 77 8.619 8.593 0.026 1
1 803 . 15 1 1 A 77 77 GLU HA H 77 4.310 4.980 -0.670 1
1 808 . 15 1 1 A 77 77 GLU C C 77 177.046 176.549 0.497 1
1 809 . 15 1 1 A 77 77 GLU CA C 77 56.966 54.746 2.220 1
1 810 . 15 1 1 A 77 77 GLU CB C 77 30.318 32.875 -2.557 1
1 812 . 15 1 1 A 77 77 GLU N N 77 125.001 119.101 5.900 1
1 813 . 15 1 1 A 78 78 GLY H H 78 8.446 8.587 -0.141 1
1 814 . 15 1 1 A 78 78 GLY HA2 H 78 3.987 3.984 0.003 1
1 815 . 15 1 1 A 78 78 GLY HA3 H 78 3.987 3.984 0.003 1
1 816 . 15 1 1 A 78 78 GLY C C 78 174.238 173.851 0.387 1
1 817 . 15 1 1 A 78 78 GLY CA C 78 45.283 44.862 0.421 1
1 818 . 15 1 1 A 78 78 GLY N N 78 110.357 109.991 0.366 1
1 819 . 15 1 1 A 79 79 GLU H H 79 8.313 8.389 -0.076 1
1 820 . 15 1 1 A 79 79 GLU HA H 79 4.309 4.322 -0.013 1
1 825 . 15 1 1 A 79 79 GLU C C 79 176.509 175.824 0.685 1
1 826 . 15 1 1 A 79 79 GLU CA C 79 56.755 56.838 -0.083 1
1 827 . 15 1 1 A 79 79 GLU CB C 79 30.317 30.341 -0.024 1
1 829 . 15 1 1 A 79 79 GLU N N 79 120.638 121.063 -0.425 1
1 830 . 15 1 1 A 80 80 ASN H H 80 8.588 8.557 0.031 1
1 831 . 15 1 1 A 80 80 ASN HA H 80 4.801 4.772 0.029 1
1 834 . 15 1 1 A 80 80 ASN C C 80 175.202 175.051 0.151 1
1 835 . 15 1 1 A 80 80 ASN CA C 80 53.336 52.602 0.734 1
1 836 . 15 1 1 A 80 80 ASN CB C 80 39.051 39.427 -0.376 1
1 837 . 15 1 1 A 80 80 ASN N N 80 119.808 126.094 -6.286 1
1 838 . 15 1 1 A 81 81 SER H H 81 8.322 8.690 -0.368 1
1 839 . 15 1 1 A 81 81 SER HA H 81 4.517 4.401 0.116 1
1 842 . 15 1 1 A 81 81 SER C C 81 174.643 174.763 -0.120 1
1 843 . 15 1 1 A 81 81 SER CA C 81 58.499 58.691 -0.192 1
1 844 . 15 1 1 A 81 81 SER CB C 81 64.056 63.987 0.069 1
1 845 . 15 1 1 A 81 81 SER N N 81 116.318 116.629 -0.311 1
1 846 . 15 1 1 A 82 82 GLY H H 82 8.303 8.325 -0.022 1
1 847 . 15 1 1 A 82 82 GLY HA2 H 82 4.170 4.160 0.010 1
1 848 . 15 1 1 A 82 82 GLY HA3 H 82 4.125 4.160 -0.035 1
1 849 . 15 1 1 A 82 82 GLY C C 82 171.855 172.709 -0.854 1
1 850 . 15 1 1 A 82 82 GLY CA C 82 44.719 44.157 0.562 1
1 851 . 15 1 1 A 82 82 GLY N N 82 110.706 112.668 -1.962 1
1 852 . 15 1 1 A 83 83 PRO HA H 83 4.498 4.600 -0.102 1
1 859 . 15 1 1 A 83 83 PRO C C 83 177.459 175.043 2.416 1
1 860 . 15 1 1 A 83 83 PRO CA C 83 63.274 62.495 0.779 1
1 861 . 15 1 1 A 83 83 PRO CB C 83 32.254 32.992 -0.738 1
1 864 . 15 1 1 A 84 84 SER H H 84 8.541 8.694 -0.153 1
1 865 . 15 1 1 A 84 84 SER HA H 84 4.508 4.935 -0.427 1
1 868 . 15 1 1 A 84 84 SER C C 84 174.744 172.287 2.457 1
1 869 . 15 1 1 A 84 84 SER CA C 84 58.412 56.594 1.818 1
1 870 . 15 1 1 A 84 84 SER CB C 84 64.056 65.221 -1.165 1
1 871 . 15 1 1 A 84 84 SER N N 84 116.449 116.274 0.175 1
1 872 . 15 1 1 A 85 85 SER H H 85 8.353 8.563 -0.210 1
1 873 . 15 1 1 A 85 85 SER HA H 85 4.517 5.363 -0.846 1
1 876 . 15 1 1 A 85 85 SER C C 85 173.953 173.935 0.018 1
1 877 . 15 1 1 A 85 85 SER CA C 85 58.492 56.990 1.502 1
1 878 . 15 1 1 A 85 85 SER CB C 85 64.138 66.040 -1.902 1
1 879 . 15 1 1 A 85 85 SER N N 85 117.940 118.282 -0.342 1
1 1 . 16 1 1 A 8 8 ARG HA H 8 4.432 3.889 0.543 1
1 7 . 16 1 1 A 8 8 ARG CA C 8 56.069 56.615 -0.546 1
1 8 . 16 1 1 A 8 8 ARG CB C 8 30.974 27.027 3.947 1
1 14 . 16 1 1 A 9 9 THR CB C 9 69.816 69.587 0.229 1
1 16 . 16 1 1 A 10 10 HIS HA H 10 4.730 4.473 0.257 1
1 21 . 16 1 1 A 10 10 HIS CA C 10 56.345 56.755 -0.410 1
1 22 . 16 1 1 A 10 10 HIS CB C 10 31.058 29.925 1.133 1
1 28 . 16 1 1 A 11 11 THR CB C 11 69.816 72.155 -2.339 1
1 30 . 16 1 1 A 12 12 GLY HA2 H 12 3.978 4.201 -0.223 1
1 31 . 16 1 1 A 12 12 GLY HA3 H 12 3.978 4.219 -0.241 1
1 32 . 16 1 1 A 12 12 GLY CA C 12 45.442 45.252 0.190 1
1 33 . 16 1 1 A 13 13 GLU H H 13 8.243 8.449 -0.206 1
1 34 . 16 1 1 A 13 13 GLU HA H 13 4.235 4.817 -0.582 1
1 39 . 16 1 1 A 13 13 GLU CA C 13 56.898 55.441 1.457 1
1 40 . 16 1 1 A 13 13 GLU CB C 13 30.495 31.285 -0.790 1
1 42 . 16 1 1 A 13 13 GLU N N 13 120.364 122.152 -1.788 1
1 43 . 16 1 1 A 14 14 LYS H H 14 8.276 8.333 -0.057 1
1 44 . 16 1 1 A 14 14 LYS HA H 14 4.528 5.072 -0.544 1
1 53 . 16 1 1 A 14 14 LYS CA C 14 54.009 53.281 0.728 1
1 54 . 16 1 1 A 14 14 LYS CB C 14 32.667 33.439 -0.772 1
1 58 . 16 1 1 A 14 14 LYS N N 14 121.981 126.773 -4.792 1
1 59 . 16 1 1 A 15 15 PRO HA H 15 4.347 4.444 -0.097 1
1 66 . 16 1 1 A 15 15 PRO CA C 15 63.237 64.564 -1.327 1
1 67 . 16 1 1 A 15 15 PRO CB C 15 32.365 31.805 0.560 1
1 70 . 16 1 1 A 16 16 TYR H H 16 8.234 7.541 0.693 1
1 71 . 16 1 1 A 16 16 TYR HA H 16 4.508 4.792 -0.284 1
1 78 . 16 1 1 A 16 16 TYR C C 16 174.453 174.661 -0.208 1
1 79 . 16 1 1 A 16 16 TYR CA C 16 58.076 57.228 0.848 1
1 80 . 16 1 1 A 16 16 TYR CB C 16 38.346 38.473 -0.127 1
1 85 . 16 1 1 A 16 16 TYR N N 16 118.751 118.012 0.739 1
1 86 . 16 1 1 A 17 17 ALA H H 17 8.567 9.032 -0.465 1
1 87 . 16 1 1 A 17 17 ALA HA H 17 4.754 5.413 -0.659 1
1 91 . 16 1 1 A 17 17 ALA C C 17 176.249 176.628 -0.379 1
1 92 . 16 1 1 A 17 17 ALA CA C 17 51.274 50.517 0.757 1
1 93 . 16 1 1 A 17 17 ALA CB C 17 20.625 21.093 -0.468 1
1 94 . 16 1 1 A 17 17 ALA N N 17 127.897 127.993 -0.096 1
1 95 . 16 1 1 A 18 18 CYS H H 18 8.464 9.076 -0.612 1
1 96 . 16 1 1 A 18 18 CYS HA H 18 4.538 4.415 0.123 1
1 99 . 16 1 1 A 18 18 CYS C C 18 175.739 175.359 0.380 1
1 100 . 16 1 1 A 18 18 CYS CA C 18 60.966 60.136 0.830 1
1 101 . 16 1 1 A 18 18 CYS CB C 18 29.435 28.822 0.613 1
1 102 . 16 1 1 A 18 18 CYS N N 18 125.366 123.448 1.918 1
1 103 . 16 1 1 A 19 19 SER H H 19 8.439 9.276 -0.837 1
1 104 . 16 1 1 A 19 19 SER HA H 19 4.426 4.368 0.058 1
1 107 . 16 1 1 A 19 19 SER C C 19 175.890 176.898 -1.008 1
1 108 . 16 1 1 A 19 19 SER CA C 19 60.085 61.739 -1.654 1
1 109 . 16 1 1 A 19 19 SER CB C 19 64.097 62.841 1.256 1
1 110 . 16 1 1 A 19 19 SER N N 19 121.912 121.620 0.292 1
1 111 . 16 1 1 A 20 20 HIS H H 20 9.949 8.487 1.462 1
1 112 . 16 1 1 A 20 20 HIS HA H 20 4.579 4.349 0.230 1
1 117 . 16 1 1 A 20 20 HIS C C 20 174.670 175.628 -0.958 1
1 118 . 16 1 1 A 20 20 HIS CA C 20 57.354 58.606 -1.252 1
1 119 . 16 1 1 A 20 20 HIS CB C 20 30.787 29.598 1.189 1
1 122 . 16 1 1 A 20 20 HIS N N 20 126.154 119.084 7.070 1
1 123 . 16 1 1 A 21 21 CYS H H 21 7.972 8.064 -0.092 1
1 124 . 16 1 1 A 21 21 CYS HA H 21 4.947 4.910 0.037 1
1 127 . 16 1 1 A 21 21 CYS C C 21 172.879 173.700 -0.821 1
1 128 . 16 1 1 A 21 21 CYS CA C 21 58.891 56.647 2.244 1
1 129 . 16 1 1 A 21 21 CYS CB C 21 29.766 30.593 -0.827 1
1 130 . 16 1 1 A 21 21 CYS N N 21 119.638 114.968 4.670 1
1 131 . 16 1 1 A 22 22 ASP H H 22 8.167 8.835 -0.668 1
1 132 . 16 1 1 A 22 22 ASP HA H 22 4.668 4.879 -0.211 1
1 135 . 16 1 1 A 22 22 ASP C C 22 176.857 174.704 2.153 1
1 136 . 16 1 1 A 22 22 ASP CA C 22 54.587 52.898 1.689 1
1 137 . 16 1 1 A 22 22 ASP CB C 22 40.758 40.621 0.137 1
1 138 . 16 1 1 A 22 22 ASP N N 22 115.180 122.206 -7.026 1
1 139 . 16 1 1 A 23 23 LYS H H 23 8.407 7.627 0.780 1
1 140 . 16 1 1 A 23 23 LYS HA H 23 4.085 4.703 -0.618 1
1 148 . 16 1 1 A 23 23 LYS C C 23 175.732 175.805 -0.073 1
1 149 . 16 1 1 A 23 23 LYS CA C 23 57.537 54.300 3.237 1
1 150 . 16 1 1 A 23 23 LYS CB C 23 33.593 34.777 -1.184 1
1 154 . 16 1 1 A 23 23 LYS N N 23 122.302 121.550 0.752 1
1 155 . 16 1 1 A 24 24 THR H H 24 7.462 8.478 -1.016 1
1 156 . 16 1 1 A 24 24 THR HA H 24 5.018 5.554 -0.536 1
1 161 . 16 1 1 A 24 24 THR C C 24 173.047 172.691 0.356 1
1 162 . 16 1 1 A 24 24 THR CA C 24 59.500 58.949 0.551 1
1 163 . 16 1 1 A 24 24 THR CB C 24 71.795 72.078 -0.283 1
1 165 . 16 1 1 A 24 24 THR N N 24 110.405 111.296 -0.891 1
1 166 . 16 1 1 A 25 25 PHE H H 25 8.750 8.913 -0.163 1
1 167 . 16 1 1 A 25 25 PHE HA H 25 4.886 4.916 -0.030 1
1 175 . 16 1 1 A 25 25 PHE C C 25 175.982 175.847 0.135 1
1 176 . 16 1 1 A 25 25 PHE CA C 25 57.301 56.527 0.774 1
1 177 . 16 1 1 A 25 25 PHE CB C 25 44.782 43.360 1.422 1
1 183 . 16 1 1 A 25 25 PHE N N 25 116.161 117.882 -1.721 1
1 184 . 16 1 1 A 26 26 ARG HA H 26 4.550 4.321 0.229 1
1 191 . 16 1 1 A 26 26 ARG C C 26 175.820 176.264 -0.444 1
1 192 . 16 1 1 A 26 26 ARG CA C 26 57.830 58.984 -1.154 1
1 193 . 16 1 1 A 26 26 ARG CB C 26 31.465 30.203 1.262 1
1 196 . 16 1 1 A 27 27 GLN H H 27 7.052 7.854 -0.802 1
1 197 . 16 1 1 A 27 27 GLN HA H 27 4.820 4.445 0.375 1
1 204 . 16 1 1 A 27 27 GLN C C 27 175.929 175.687 0.242 1
1 205 . 16 1 1 A 27 27 GLN CA C 27 53.971 54.699 -0.728 1
1 206 . 16 1 1 A 27 27 GLN CB C 27 32.968 30.360 2.608 1
1 208 . 16 1 1 A 27 27 GLN N N 27 111.833 118.472 -6.639 1
1 210 . 16 1 1 A 28 28 LYS H H 28 8.616 8.321 0.295 1
1 211 . 16 1 1 A 28 28 LYS HA H 28 3.013 3.196 -0.183 1
1 220 . 16 1 1 A 28 28 LYS C C 28 177.891 177.732 0.159 1
1 221 . 16 1 1 A 28 28 LYS CA C 28 59.351 59.413 -0.062 1
1 222 . 16 1 1 A 28 28 LYS CB C 28 31.901 31.877 0.024 1
1 226 . 16 1 1 A 28 28 LYS N N 28 127.969 124.719 3.250 1
1 227 . 16 1 1 A 29 29 GLN H H 29 9.039 7.747 1.292 1
1 228 . 16 1 1 A 29 29 GLN HA H 29 4.110 3.914 0.196 1
1 235 . 16 1 1 A 29 29 GLN C C 29 178.275 178.348 -0.073 1
1 236 . 16 1 1 A 29 29 GLN CA C 29 59.073 58.712 0.361 1
1 237 . 16 1 1 A 29 29 GLN CB C 29 27.673 28.235 -0.562 1
1 239 . 16 1 1 A 29 29 GLN N N 29 116.426 118.515 -2.089 1
1 241 . 16 1 1 A 30 30 LEU H H 30 6.687 7.669 -0.982 1
1 242 . 16 1 1 A 30 30 LEU HA H 30 4.105 3.833 0.272 1
1 252 . 16 1 1 A 30 30 LEU C C 30 179.455 178.725 0.730 1
1 253 . 16 1 1 A 30 30 LEU CA C 30 56.878 57.469 -0.591 1
1 254 . 16 1 1 A 30 30 LEU CB C 30 41.552 41.754 -0.202 1
1 258 . 16 1 1 A 30 30 LEU N N 30 116.469 119.691 -3.222 1
1 259 . 16 1 1 A 31 31 LEU H H 31 6.875 7.381 -0.506 1
1 260 . 16 1 1 A 31 31 LEU HA H 31 3.174 2.509 0.665 1
1 270 . 16 1 1 A 31 31 LEU C C 31 177.599 178.099 -0.500 1
1 271 . 16 1 1 A 31 31 LEU CA C 31 57.829 57.028 0.801 1
1 272 . 16 1 1 A 31 31 LEU CB C 31 39.945 40.736 -0.791 1
1 276 . 16 1 1 A 31 31 LEU N N 31 122.863 119.308 3.555 1
1 277 . 16 1 1 A 32 32 ASP H H 32 8.429 8.074 0.355 1
1 278 . 16 1 1 A 32 32 ASP HA H 32 4.356 4.195 0.161 1
1 281 . 16 1 1 A 32 32 ASP C C 32 179.142 178.213 0.929 1
1 282 . 16 1 1 A 32 32 ASP CA C 32 57.830 57.192 0.638 1
1 283 . 16 1 1 A 32 32 ASP CB C 32 39.978 40.995 -1.017 1
1 284 . 16 1 1 A 32 32 ASP N N 32 120.350 119.184 1.166 1
1 285 . 16 1 1 A 33 33 MET H H 33 7.738 8.182 -0.444 1
1 286 . 16 1 1 A 33 33 MET HA H 33 4.167 3.626 0.541 1
1 294 . 16 1 1 A 33 33 MET C C 33 178.463 177.765 0.698 1
1 295 . 16 1 1 A 33 33 MET CA C 33 58.454 58.105 0.349 1
1 296 . 16 1 1 A 33 33 MET CB C 33 32.924 31.969 0.955 1
1 299 . 16 1 1 A 33 33 MET N N 33 118.109 118.840 -0.731 1
1 300 . 16 1 1 A 34 34 HIS H H 34 7.632 8.497 -0.865 1
1 301 . 16 1 1 A 34 34 HIS HA H 34 4.396 4.221 0.175 1
1 306 . 16 1 1 A 34 34 HIS C C 34 176.258 176.658 -0.400 1
1 307 . 16 1 1 A 34 34 HIS CA C 34 59.715 59.138 0.577 1
1 308 . 16 1 1 A 34 34 HIS CB C 34 28.594 29.704 -1.110 1
1 311 . 16 1 1 A 34 34 HIS N N 34 120.242 120.148 0.094 1
1 312 . 16 1 1 A 35 35 PHE H H 35 9.373 8.058 1.315 1
1 313 . 16 1 1 A 35 35 PHE HA H 35 3.726 3.931 -0.205 1
1 321 . 16 1 1 A 35 35 PHE C C 35 178.043 177.592 0.451 1
1 322 . 16 1 1 A 35 35 PHE CA C 35 62.870 61.267 1.603 1
1 323 . 16 1 1 A 35 35 PHE CB C 35 39.846 39.175 0.671 1
1 329 . 16 1 1 A 35 35 PHE N N 35 121.691 120.029 1.662 1
1 330 . 16 1 1 A 36 36 LYS H H 36 7.861 7.844 0.017 1
1 331 . 16 1 1 A 36 36 LYS HA H 36 4.139 4.485 -0.346 1
1 340 . 16 1 1 A 36 36 LYS C C 36 176.843 178.461 -1.618 1
1 341 . 16 1 1 A 36 36 LYS CA C 36 58.198 58.498 -0.300 1
1 342 . 16 1 1 A 36 36 LYS CB C 36 32.906 32.436 0.470 1
1 346 . 16 1 1 A 36 36 LYS N N 36 118.022 118.224 -0.202 1
1 347 . 16 1 1 A 37 37 ARG H H 37 7.298 8.023 -0.725 1
1 348 . 16 1 1 A 37 37 ARG HA H 37 3.717 4.350 -0.633 1
1 355 . 16 1 1 A 37 37 ARG C C 37 177.872 178.423 -0.551 1
1 356 . 16 1 1 A 37 37 ARG CA C 37 57.874 58.223 -0.349 1
1 357 . 16 1 1 A 37 37 ARG CB C 37 30.619 30.901 -0.282 1
1 360 . 16 1 1 A 37 37 ARG N N 37 114.740 120.296 -5.556 1
1 361 . 16 1 1 A 38 38 TYR H H 38 7.779 8.656 -0.877 1
1 362 . 16 1 1 A 38 38 TYR HA H 38 4.146 4.191 -0.045 1
1 369 . 16 1 1 A 38 38 TYR C C 38 176.160 178.647 -2.487 1
1 370 . 16 1 1 A 38 38 TYR CA C 38 59.941 60.126 -0.185 1
1 371 . 16 1 1 A 38 38 TYR CB C 38 38.516 37.952 0.564 1
1 376 . 16 1 1 A 38 38 TYR N N 38 112.257 119.244 -6.987 1
1 377 . 16 1 1 A 39 39 HIS H H 39 7.679 7.698 -0.019 1
1 378 . 16 1 1 A 39 39 HIS HA H 39 4.943 4.477 0.466 1
1 383 . 16 1 1 A 39 39 HIS C C 39 173.845 175.384 -1.539 1
1 384 . 16 1 1 A 39 39 HIS CA C 39 54.045 58.453 -4.408 1
1 385 . 16 1 1 A 39 39 HIS CB C 39 29.490 29.242 0.248 1
1 388 . 16 1 1 A 39 39 HIS N N 39 114.679 116.692 -2.013 1
1 389 . 16 1 1 A 40 40 ASP H H 40 7.317 7.757 -0.440 1
1 390 . 16 1 1 A 40 40 ASP HA H 40 4.800 4.896 -0.096 1
1 393 . 16 1 1 A 40 40 ASP C C 40 175.035 174.867 0.168 1
1 394 . 16 1 1 A 40 40 ASP CA C 40 51.697 51.288 0.409 1
1 395 . 16 1 1 A 40 40 ASP CB C 40 42.630 42.581 0.049 1
1 396 . 16 1 1 A 40 40 ASP N N 40 119.125 118.419 0.706 1
1 397 . 16 1 1 A 41 41 PRO HA H 41 4.552 4.450 0.102 1
1 404 . 16 1 1 A 41 41 PRO C C 41 177.331 177.275 0.056 1
1 405 . 16 1 1 A 41 41 PRO CA C 41 64.019 63.954 0.065 1
1 406 . 16 1 1 A 41 41 PRO CB C 41 32.235 32.070 0.165 1
1 409 . 16 1 1 A 42 42 ASN H H 42 8.484 8.604 -0.120 1
1 410 . 16 1 1 A 42 42 ASN HA H 42 4.703 4.559 0.144 1
1 415 . 16 1 1 A 42 42 ASN C C 42 174.879 176.417 -1.538 1
1 416 . 16 1 1 A 42 42 ASN CA C 42 53.371 56.345 -2.974 1
1 417 . 16 1 1 A 42 42 ASN CB C 42 39.009 38.604 0.405 1
1 418 . 16 1 1 A 42 42 ASN N N 42 116.107 116.715 -0.608 1
1 420 . 16 1 1 A 43 43 PHE H H 43 7.741 7.397 0.344 1
1 421 . 16 1 1 A 43 43 PHE HA H 43 4.448 4.353 0.095 1
1 429 . 16 1 1 A 43 43 PHE CA C 43 58.640 59.845 -1.205 1
1 430 . 16 1 1 A 43 43 PHE CB C 43 40.203 39.874 0.329 1
1 436 . 16 1 1 A 43 43 PHE N N 43 121.284 119.318 1.966 1
1 437 . 16 1 1 A 44 44 VAL H H 44 7.718 7.995 -0.277 1
1 438 . 16 1 1 A 44 44 VAL HA H 44 4.221 4.724 -0.503 1
1 446 . 16 1 1 A 44 44 VAL C C 44 173.190 173.565 -0.375 1
1 447 . 16 1 1 A 44 44 VAL CA C 44 59.177 58.703 0.474 1
1 448 . 16 1 1 A 44 44 VAL CB C 44 33.260 34.226 -0.966 1
1 451 . 16 1 1 A 44 44 VAL N N 44 126.832 125.353 1.479 1
1 452 . 16 1 1 A 45 45 PRO HA H 45 4.114 4.583 -0.469 1
1 459 . 16 1 1 A 45 45 PRO C C 45 176.031 176.704 -0.673 1
1 460 . 16 1 1 A 45 45 PRO CA C 45 62.732 62.612 0.120 1
1 461 . 16 1 1 A 45 45 PRO CB C 45 32.197 32.497 -0.300 1
1 464 . 16 1 1 A 46 46 ALA H H 46 8.199 8.366 -0.167 1
1 465 . 16 1 1 A 46 46 ALA HA H 46 4.161 4.442 -0.281 1
1 469 . 16 1 1 A 46 46 ALA C C 46 176.631 176.510 0.121 1
1 470 . 16 1 1 A 46 46 ALA CA C 46 52.105 52.322 -0.217 1
1 471 . 16 1 1 A 46 46 ALA CB C 46 19.315 19.252 0.063 1
1 472 . 16 1 1 A 46 46 ALA N N 46 124.122 124.811 -0.689 1
1 473 . 16 1 1 A 47 47 ALA H H 47 7.755 8.761 -1.006 1
1 474 . 16 1 1 A 47 47 ALA HA H 47 4.218 5.153 -0.935 1
1 478 . 16 1 1 A 47 47 ALA C C 47 176.322 175.488 0.834 1
1 479 . 16 1 1 A 47 47 ALA CA C 47 52.140 50.300 1.840 1
1 480 . 16 1 1 A 47 47 ALA CB C 47 20.283 19.898 0.385 1
1 481 . 16 1 1 A 47 47 ALA N N 47 121.689 126.875 -5.186 1
1 482 . 16 1 1 A 48 48 PHE H H 48 8.323 8.951 -0.628 1
1 483 . 16 1 1 A 48 48 PHE HA H 48 4.782 5.170 -0.388 1
1 491 . 16 1 1 A 48 48 PHE C C 48 174.258 174.551 -0.293 1
1 492 . 16 1 1 A 48 48 PHE CA C 48 57.108 56.843 0.265 1
1 493 . 16 1 1 A 48 48 PHE CB C 48 40.615 42.126 -1.511 1
1 499 . 16 1 1 A 48 48 PHE N N 48 118.583 121.701 -3.118 1
1 500 . 16 1 1 A 49 49 VAL H H 49 8.584 9.238 -0.654 1
1 501 . 16 1 1 A 49 49 VAL HA H 49 4.829 5.134 -0.305 1
1 509 . 16 1 1 A 49 49 VAL C C 49 175.667 175.356 0.311 1
1 510 . 16 1 1 A 49 49 VAL CA C 49 60.508 60.426 0.082 1
1 511 . 16 1 1 A 49 49 VAL CB C 49 35.158 34.918 0.240 1
1 514 . 16 1 1 A 49 49 VAL N N 49 123.555 122.611 0.944 1
1 515 . 16 1 1 A 50 50 CYS H H 50 9.170 9.117 0.053 1
1 516 . 16 1 1 A 50 50 CYS HA H 50 4.593 4.545 0.048 1
1 519 . 16 1 1 A 50 50 CYS C C 50 177.661 174.626 3.035 1
1 520 . 16 1 1 A 50 50 CYS CA C 50 59.909 59.401 0.508 1
1 521 . 16 1 1 A 50 50 CYS CB C 50 30.835 28.857 1.978 1
1 522 . 16 1 1 A 50 50 CYS N N 50 128.866 127.257 1.609 1
1 523 . 16 1 1 A 51 51 SER H H 51 9.205 8.894 0.311 1
1 524 . 16 1 1 A 51 51 SER HA H 51 4.271 4.558 -0.287 1
1 527 . 16 1 1 A 51 51 SER C C 51 174.401 175.663 -1.262 1
1 528 . 16 1 1 A 51 51 SER CA C 51 60.890 58.798 2.092 1
1 529 . 16 1 1 A 51 51 SER CB C 51 63.231 65.194 -1.963 1
1 530 . 16 1 1 A 51 51 SER N N 51 128.162 119.918 8.244 1
1 531 . 16 1 1 A 52 52 LYS H H 52 9.118 7.532 1.586 1
1 532 . 16 1 1 A 52 52 LYS HA H 52 4.421 4.207 0.214 1
1 541 . 16 1 1 A 52 52 LYS C C 52 177.831 178.000 -0.169 1
1 542 . 16 1 1 A 52 52 LYS CA C 52 58.535 58.634 -0.099 1
1 543 . 16 1 1 A 52 52 LYS CB C 52 34.152 33.116 1.036 1
1 547 . 16 1 1 A 52 52 LYS N N 52 123.970 119.759 4.211 1
1 548 . 16 1 1 A 53 53 CYS H H 53 8.241 8.196 0.045 1
1 549 . 16 1 1 A 53 53 CYS HA H 53 4.999 4.660 0.339 1
1 552 . 16 1 1 A 53 53 CYS C C 53 176.529 175.485 1.044 1
1 553 . 16 1 1 A 53 53 CYS CA C 53 58.587 59.655 -1.068 1
1 554 . 16 1 1 A 53 53 CYS CB C 53 33.353 29.824 3.529 1
1 555 . 16 1 1 A 53 53 CYS N N 53 115.684 114.500 1.184 1
1 556 . 16 1 1 A 54 54 GLY H H 54 8.290 8.252 0.038 1
1 557 . 16 1 1 A 54 54 GLY HA2 H 54 4.226 4.087 0.139 1
1 558 . 16 1 1 A 54 54 GLY HA3 H 54 3.733 4.103 -0.370 1
1 559 . 16 1 1 A 54 54 GLY C C 54 173.761 174.604 -0.843 1
1 560 . 16 1 1 A 54 54 GLY CA C 54 46.147 45.219 0.928 1
1 561 . 16 1 1 A 54 54 GLY N N 54 113.723 110.431 3.292 1
1 562 . 16 1 1 A 55 55 LYS H H 55 8.598 7.367 1.231 1
1 563 . 16 1 1 A 55 55 LYS HA H 55 4.074 4.528 -0.454 1
1 572 . 16 1 1 A 55 55 LYS C C 55 174.748 175.993 -1.245 1
1 573 . 16 1 1 A 55 55 LYS CA C 55 58.270 56.140 2.130 1
1 574 . 16 1 1 A 55 55 LYS CB C 55 33.778 34.331 -0.553 1
1 578 . 16 1 1 A 55 55 LYS N N 55 124.175 120.259 3.916 1
1 579 . 16 1 1 A 56 56 THR H H 56 7.708 8.552 -0.844 1
1 580 . 16 1 1 A 56 56 THR HA H 56 5.028 5.479 -0.451 1
1 585 . 16 1 1 A 56 56 THR C C 56 173.673 173.744 -0.071 1
1 586 . 16 1 1 A 56 56 THR CA C 56 60.779 59.989 0.790 1
1 587 . 16 1 1 A 56 56 THR CB C 56 70.823 70.893 -0.070 1
1 589 . 16 1 1 A 56 56 THR N N 56 113.091 112.168 0.923 1
1 590 . 16 1 1 A 57 57 PHE H H 57 8.944 9.270 -0.326 1
1 591 . 16 1 1 A 57 57 PHE HA H 57 4.850 4.828 0.022 1
1 599 . 16 1 1 A 57 57 PHE C C 57 175.764 175.862 -0.098 1
1 600 . 16 1 1 A 57 57 PHE CA C 57 56.949 56.765 0.184 1
1 601 . 16 1 1 A 57 57 PHE CB C 57 43.729 43.104 0.625 1
1 607 . 16 1 1 A 57 57 PHE N N 57 119.958 119.386 0.572 1
1 608 . 16 1 1 A 58 58 THR HA H 58 4.629 4.527 0.102 1
1 613 . 16 1 1 A 58 58 THR CA C 58 62.738 63.740 -1.002 1
1 614 . 16 1 1 A 58 58 THR CB C 58 69.810 69.470 0.340 1
1 616 . 16 1 1 A 59 59 ARG H H 59 7.422 7.794 -0.372 1
1 617 . 16 1 1 A 59 59 ARG HA H 59 4.740 4.757 -0.017 1
1 624 . 16 1 1 A 59 59 ARG CA C 59 54.724 54.709 0.015 1
1 625 . 16 1 1 A 59 59 ARG CB C 59 33.659 32.334 1.325 1
1 628 . 16 1 1 A 59 59 ARG N N 59 118.359 118.616 -0.257 1
1 629 . 16 1 1 A 60 60 ARG HA H 60 2.949 3.323 -0.374 1
1 636 . 16 1 1 A 60 60 ARG CA C 60 59.468 59.319 0.149 1
1 637 . 16 1 1 A 60 60 ARG CB C 60 29.732 29.095 0.637 1
1 640 . 16 1 1 A 61 61 ASN HA H 61 4.332 4.420 -0.088 1
1 645 . 16 1 1 A 61 61 ASN C C 61 177.497 177.367 0.130 1
1 646 . 16 1 1 A 61 61 ASN CA C 61 56.212 55.524 0.688 1
1 647 . 16 1 1 A 61 61 ASN CB C 61 37.142 37.628 -0.486 1
1 649 . 16 1 1 A 62 62 THR H H 62 7.076 7.818 -0.742 1
1 650 . 16 1 1 A 62 62 THR HA H 62 3.893 3.920 -0.027 1
1 655 . 16 1 1 A 62 62 THR C C 62 176.684 175.506 1.178 1
1 656 . 16 1 1 A 62 62 THR CA C 62 65.025 66.296 -1.271 1
1 657 . 16 1 1 A 62 62 THR CB C 62 68.112 68.812 -0.700 1
1 659 . 16 1 1 A 62 62 THR N N 62 115.050 115.627 -0.577 1
1 660 . 16 1 1 A 63 63 MET H H 63 7.149 8.294 -1.145 1
1 661 . 16 1 1 A 63 63 MET HA H 63 2.545 3.177 -0.632 1
1 669 . 16 1 1 A 63 63 MET C C 63 176.978 177.432 -0.454 1
1 670 . 16 1 1 A 63 63 MET CA C 63 58.791 58.086 0.705 1
1 671 . 16 1 1 A 63 63 MET CB C 63 31.556 31.639 -0.083 1
1 674 . 16 1 1 A 63 63 MET N N 63 122.700 119.699 3.001 1
1 675 . 16 1 1 A 64 64 ALA H H 64 8.383 8.159 0.224 1
1 676 . 16 1 1 A 64 64 ALA HA H 64 3.944 3.833 0.111 1
1 680 . 16 1 1 A 64 64 ALA C C 64 179.879 179.873 0.006 1
1 681 . 16 1 1 A 64 64 ALA CA C 64 55.324 55.294 0.030 1
1 682 . 16 1 1 A 64 64 ALA CB C 64 18.033 18.439 -0.406 1
1 683 . 16 1 1 A 64 64 ALA N N 64 122.001 121.011 0.990 1
1 684 . 16 1 1 A 65 65 ARG H H 65 7.574 7.490 0.084 1
1 685 . 16 1 1 A 65 65 ARG HA H 65 4.139 3.943 0.196 1
1 692 . 16 1 1 A 65 65 ARG C C 65 178.946 178.559 0.387 1
1 693 . 16 1 1 A 65 65 ARG CA C 65 58.182 59.401 -1.219 1
1 694 . 16 1 1 A 65 65 ARG CB C 65 30.153 29.919 0.234 1
1 697 . 16 1 1 A 65 65 ARG N N 65 116.551 117.808 -1.257 1
1 698 . 16 1 1 A 66 66 HIS H H 66 7.455 8.238 -0.783 1
1 699 . 16 1 1 A 66 66 HIS HA H 66 4.271 4.128 0.143 1
1 704 . 16 1 1 A 66 66 HIS C C 66 177.633 176.726 0.907 1
1 705 . 16 1 1 A 66 66 HIS CA C 66 59.046 59.654 -0.608 1
1 706 . 16 1 1 A 66 66 HIS CB C 66 27.820 29.986 -2.166 1
1 709 . 16 1 1 A 66 66 HIS N N 66 118.483 119.656 -1.173 1
1 710 . 16 1 1 A 67 67 ALA H H 67 8.869 7.678 1.191 1
1 711 . 16 1 1 A 67 67 ALA HA H 67 3.968 3.696 0.272 1
1 715 . 16 1 1 A 67 67 ALA C C 67 179.374 178.908 0.466 1
1 716 . 16 1 1 A 67 67 ALA CA C 67 55.186 55.078 0.108 1
1 717 . 16 1 1 A 67 67 ALA CB C 67 18.851 18.301 0.550 1
1 718 . 16 1 1 A 67 67 ALA N N 67 122.114 120.752 1.362 1
1 719 . 16 1 1 A 68 68 ASP H H 68 7.476 8.391 -0.915 1
1 720 . 16 1 1 A 68 68 ASP HA H 68 4.401 4.280 0.121 1
1 723 . 16 1 1 A 68 68 ASP C C 68 176.580 177.846 -1.266 1
1 724 . 16 1 1 A 68 68 ASP CA C 68 56.772 57.754 -0.982 1
1 725 . 16 1 1 A 68 68 ASP CB C 68 40.945 41.779 -0.834 1
1 726 . 16 1 1 A 68 68 ASP N N 68 116.466 118.071 -1.605 1
1 727 . 16 1 1 A 69 69 ASN H H 69 7.227 7.573 -0.346 1
1 728 . 16 1 1 A 69 69 ASN HA H 69 4.905 4.753 0.152 1
1 733 . 16 1 1 A 69 69 ASN C C 69 173.603 175.056 -1.453 1
1 734 . 16 1 1 A 69 69 ASN CA C 69 52.518 53.403 -0.885 1
1 735 . 16 1 1 A 69 69 ASN CB C 69 40.657 39.075 1.582 1
1 736 . 16 1 1 A 69 69 ASN N N 69 114.158 114.285 -0.127 1
1 738 . 16 1 1 A 70 70 CYS H H 70 7.201 7.155 0.046 1
1 739 . 16 1 1 A 70 70 CYS HA H 70 3.902 4.217 -0.315 1
1 742 . 16 1 1 A 70 70 CYS C C 70 175.424 174.640 0.784 1
1 743 . 16 1 1 A 70 70 CYS CA C 70 61.195 59.044 2.151 1
1 744 . 16 1 1 A 70 70 CYS CB C 70 29.288 28.400 0.888 1
1 745 . 16 1 1 A 70 70 CYS N N 70 124.154 120.401 3.753 1
1 746 . 16 1 1 A 71 71 ALA H H 71 8.783 8.656 0.127 1
1 747 . 16 1 1 A 71 71 ALA HA H 71 4.562 4.318 0.244 1
1 751 . 16 1 1 A 71 71 ALA C C 71 177.513 177.002 0.511 1
1 752 . 16 1 1 A 71 71 ALA CA C 71 51.926 53.121 -1.195 1
1 753 . 16 1 1 A 71 71 ALA CB C 71 19.698 20.553 -0.855 1
1 754 . 16 1 1 A 71 71 ALA N N 71 131.493 126.709 4.784 1
1 755 . 16 1 1 A 72 72 GLY H H 72 8.645 7.260 1.385 1
1 756 . 16 1 1 A 72 72 GLY HA2 H 72 4.469 4.113 0.356 1
1 757 . 16 1 1 A 72 72 GLY HA3 H 72 3.628 4.120 -0.492 1
1 758 . 16 1 1 A 72 72 GLY C C 72 171.320 172.052 -0.732 1
1 759 . 16 1 1 A 72 72 GLY CA C 72 44.286 43.922 0.364 1
1 760 . 16 1 1 A 72 72 GLY N N 72 110.083 102.235 7.848 1
1 761 . 16 1 1 A 73 73 PRO HA H 73 4.470 4.855 -0.385 1
1 768 . 16 1 1 A 73 73 PRO C C 73 176.905 175.511 1.394 1
1 769 . 16 1 1 A 73 73 PRO CA C 73 63.706 62.652 1.054 1
1 770 . 16 1 1 A 73 73 PRO CB C 73 32.344 31.242 1.102 1
1 773 . 16 1 1 A 74 74 ASP H H 74 8.506 8.726 -0.220 1
1 774 . 16 1 1 A 74 74 ASP HA H 74 4.659 5.155 -0.496 1
1 777 . 16 1 1 A 74 74 ASP C C 74 176.869 174.563 2.306 1
1 778 . 16 1 1 A 74 74 ASP CA C 74 54.617 53.263 1.354 1
1 779 . 16 1 1 A 74 74 ASP CB C 74 41.335 43.276 -1.941 1
1 780 . 16 1 1 A 74 74 ASP N N 74 120.155 117.824 2.331 1
1 781 . 16 1 1 A 75 75 GLY H H 75 8.257 8.402 -0.145 1
1 782 . 16 1 1 A 75 75 GLY HA2 H 75 4.072 4.128 -0.056 1
1 783 . 16 1 1 A 75 75 GLY HA3 H 75 3.965 4.132 -0.167 1
1 784 . 16 1 1 A 75 75 GLY C C 75 174.256 172.697 1.559 1
1 785 . 16 1 1 A 75 75 GLY CA C 75 45.653 44.460 1.193 1
1 786 . 16 1 1 A 75 75 GLY N N 75 108.913 106.558 2.355 1
1 787 . 16 1 1 A 76 76 VAL H H 76 8.079 8.273 -0.194 1
1 788 . 16 1 1 A 76 76 VAL HA H 76 4.169 4.887 -0.718 1
1 796 . 16 1 1 A 76 76 VAL C C 76 176.347 174.528 1.819 1
1 797 . 16 1 1 A 76 76 VAL CA C 76 62.295 59.784 2.511 1
1 798 . 16 1 1 A 76 76 VAL CB C 76 32.871 34.319 -1.448 1
1 801 . 16 1 1 A 76 76 VAL N N 76 119.508 116.419 3.089 1
1 802 . 16 1 1 A 77 77 GLU H H 77 8.619 8.619 0.000 1
1 803 . 16 1 1 A 77 77 GLU HA H 77 4.310 5.097 -0.787 1
1 808 . 16 1 1 A 77 77 GLU C C 77 177.046 176.016 1.030 1
1 809 . 16 1 1 A 77 77 GLU CA C 77 56.966 54.749 2.217 1
1 810 . 16 1 1 A 77 77 GLU CB C 77 30.318 33.850 -3.532 1
1 812 . 16 1 1 A 77 77 GLU N N 77 125.001 120.349 4.652 1
1 813 . 16 1 1 A 78 78 GLY H H 78 8.446 8.514 -0.068 1
1 814 . 16 1 1 A 78 78 GLY HA2 H 78 3.987 4.347 -0.360 1
1 815 . 16 1 1 A 78 78 GLY HA3 H 78 3.987 4.350 -0.363 1
1 816 . 16 1 1 A 78 78 GLY C C 78 174.238 171.610 2.628 1
1 817 . 16 1 1 A 78 78 GLY CA C 78 45.283 45.548 -0.265 1
1 818 . 16 1 1 A 78 78 GLY N N 78 110.357 108.125 2.232 1
1 819 . 16 1 1 A 79 79 GLU H H 79 8.313 8.631 -0.318 1
1 820 . 16 1 1 A 79 79 GLU HA H 79 4.309 5.028 -0.719 1
1 825 . 16 1 1 A 79 79 GLU C C 79 176.509 176.311 0.198 1
1 826 . 16 1 1 A 79 79 GLU CA C 79 56.755 55.065 1.690 1
1 827 . 16 1 1 A 79 79 GLU CB C 79 30.317 31.906 -1.589 1
1 829 . 16 1 1 A 79 79 GLU N N 79 120.638 120.538 0.100 1
1 830 . 16 1 1 A 80 80 ASN H H 80 8.588 8.937 -0.349 1
1 831 . 16 1 1 A 80 80 ASN HA H 80 4.801 4.658 0.143 1
1 834 . 16 1 1 A 80 80 ASN C C 80 175.202 175.629 -0.427 1
1 835 . 16 1 1 A 80 80 ASN CA C 80 53.336 56.013 -2.677 1
1 836 . 16 1 1 A 80 80 ASN CB C 80 39.051 38.355 0.696 1
1 837 . 16 1 1 A 80 80 ASN N N 80 119.808 124.222 -4.414 1
1 838 . 16 1 1 A 81 81 SER H H 81 8.322 8.113 0.209 1
1 839 . 16 1 1 A 81 81 SER HA H 81 4.517 4.818 -0.301 1
1 842 . 16 1 1 A 81 81 SER C C 81 174.643 173.856 0.787 1
1 843 . 16 1 1 A 81 81 SER CA C 81 58.499 56.806 1.693 1
1 844 . 16 1 1 A 81 81 SER CB C 81 64.056 65.737 -1.681 1
1 845 . 16 1 1 A 81 81 SER N N 81 116.318 111.811 4.507 1
1 846 . 16 1 1 A 82 82 GLY H H 82 8.303 8.335 -0.032 1
1 847 . 16 1 1 A 82 82 GLY HA2 H 82 4.170 4.385 -0.215 1
1 848 . 16 1 1 A 82 82 GLY HA3 H 82 4.125 4.391 -0.266 1
1 849 . 16 1 1 A 82 82 GLY C C 82 171.855 171.645 0.210 1
1 850 . 16 1 1 A 82 82 GLY CA C 82 44.719 44.897 -0.178 1
1 851 . 16 1 1 A 82 82 GLY N N 82 110.706 106.825 3.881 1
1 852 . 16 1 1 A 83 83 PRO HA H 83 4.498 4.619 -0.121 1
1 859 . 16 1 1 A 83 83 PRO C C 83 177.459 176.141 1.318 1
1 860 . 16 1 1 A 83 83 PRO CA C 83 63.274 62.350 0.924 1
1 861 . 16 1 1 A 83 83 PRO CB C 83 32.254 33.117 -0.863 1
1 864 . 16 1 1 A 84 84 SER H H 84 8.541 8.493 0.048 1
1 865 . 16 1 1 A 84 84 SER HA H 84 4.508 4.594 -0.086 1
1 868 . 16 1 1 A 84 84 SER C C 84 174.744 174.407 0.337 1
1 869 . 16 1 1 A 84 84 SER CA C 84 58.412 58.374 0.038 1
1 870 . 16 1 1 A 84 84 SER CB C 84 64.056 63.770 0.286 1
1 871 . 16 1 1 A 84 84 SER N N 84 116.449 117.500 -1.051 1
1 872 . 16 1 1 A 85 85 SER H H 85 8.353 8.489 -0.136 1
1 873 . 16 1 1 A 85 85 SER HA H 85 4.517 5.047 -0.530 1
1 876 . 16 1 1 A 85 85 SER C C 85 173.953 175.942 -1.989 1
1 877 . 16 1 1 A 85 85 SER CA C 85 58.492 56.247 2.245 1
1 878 . 16 1 1 A 85 85 SER CB C 85 64.138 66.220 -2.082 1
1 879 . 16 1 1 A 85 85 SER N N 85 117.940 116.710 1.230 1
1 1 . 17 1 1 A 8 8 ARG HA H 8 4.432 5.075 -0.643 1
1 7 . 17 1 1 A 8 8 ARG CA C 8 56.069 54.327 1.742 1
1 8 . 17 1 1 A 8 8 ARG CB C 8 30.974 33.325 -2.351 1
1 14 . 17 1 1 A 9 9 THR CB C 9 69.816 69.435 0.381 1
1 16 . 17 1 1 A 10 10 HIS HA H 10 4.730 4.746 -0.016 1
1 21 . 17 1 1 A 10 10 HIS CA C 10 56.345 54.708 1.637 1
1 22 . 17 1 1 A 10 10 HIS CB C 10 31.058 28.716 2.342 1
1 28 . 17 1 1 A 11 11 THR CB C 11 69.816 70.192 -0.376 1
1 30 . 17 1 1 A 12 12 GLY HA2 H 12 3.978 4.126 -0.148 1
1 31 . 17 1 1 A 12 12 GLY HA3 H 12 3.978 4.127 -0.149 1
1 32 . 17 1 1 A 12 12 GLY CA C 12 45.442 45.983 -0.541 1
1 33 . 17 1 1 A 13 13 GLU H H 13 8.243 8.372 -0.129 1
1 34 . 17 1 1 A 13 13 GLU HA H 13 4.235 4.371 -0.136 1
1 39 . 17 1 1 A 13 13 GLU CA C 13 56.898 56.055 0.843 1
1 40 . 17 1 1 A 13 13 GLU CB C 13 30.495 30.776 -0.281 1
1 42 . 17 1 1 A 13 13 GLU N N 13 120.364 120.463 -0.099 1
1 43 . 17 1 1 A 14 14 LYS H H 14 8.276 8.415 -0.139 1
1 44 . 17 1 1 A 14 14 LYS HA H 14 4.528 5.012 -0.484 1
1 53 . 17 1 1 A 14 14 LYS CA C 14 54.009 53.043 0.966 1
1 54 . 17 1 1 A 14 14 LYS CB C 14 32.667 33.165 -0.498 1
1 58 . 17 1 1 A 14 14 LYS N N 14 121.981 122.281 -0.300 1
1 59 . 17 1 1 A 15 15 PRO HA H 15 4.347 4.415 -0.068 1
1 66 . 17 1 1 A 15 15 PRO CA C 15 63.237 64.820 -1.583 1
1 67 . 17 1 1 A 15 15 PRO CB C 15 32.365 31.784 0.581 1
1 70 . 17 1 1 A 16 16 TYR H H 16 8.234 7.655 0.579 1
1 71 . 17 1 1 A 16 16 TYR HA H 16 4.508 4.715 -0.207 1
1 78 . 17 1 1 A 16 16 TYR C C 16 174.453 174.820 -0.367 1
1 79 . 17 1 1 A 16 16 TYR CA C 16 58.076 57.531 0.545 1
1 80 . 17 1 1 A 16 16 TYR CB C 16 38.346 37.970 0.376 1
1 85 . 17 1 1 A 16 16 TYR N N 16 118.751 117.929 0.822 1
1 86 . 17 1 1 A 17 17 ALA H H 17 8.567 9.045 -0.478 1
1 87 . 17 1 1 A 17 17 ALA HA H 17 4.754 5.314 -0.560 1
1 91 . 17 1 1 A 17 17 ALA C C 17 176.249 176.862 -0.613 1
1 92 . 17 1 1 A 17 17 ALA CA C 17 51.274 50.595 0.679 1
1 93 . 17 1 1 A 17 17 ALA CB C 17 20.625 20.720 -0.095 1
1 94 . 17 1 1 A 17 17 ALA N N 17 127.897 128.325 -0.428 1
1 95 . 17 1 1 A 18 18 CYS H H 18 8.464 8.880 -0.416 1
1 96 . 17 1 1 A 18 18 CYS HA H 18 4.538 4.520 0.018 1
1 99 . 17 1 1 A 18 18 CYS C C 18 175.739 176.568 -0.829 1
1 100 . 17 1 1 A 18 18 CYS CA C 18 60.966 60.291 0.675 1
1 101 . 17 1 1 A 18 18 CYS CB C 18 29.435 28.830 0.605 1
1 102 . 17 1 1 A 18 18 CYS N N 18 125.366 123.487 1.879 1
1 103 . 17 1 1 A 19 19 SER H H 19 8.439 9.047 -0.608 1
1 104 . 17 1 1 A 19 19 SER HA H 19 4.426 4.353 0.073 1
1 107 . 17 1 1 A 19 19 SER C C 19 175.890 177.009 -1.119 1
1 108 . 17 1 1 A 19 19 SER CA C 19 60.085 61.138 -1.053 1
1 109 . 17 1 1 A 19 19 SER CB C 19 64.097 63.387 0.710 1
1 110 . 17 1 1 A 19 19 SER N N 19 121.912 121.971 -0.059 1
1 111 . 17 1 1 A 20 20 HIS H H 20 9.949 8.335 1.614 1
1 112 . 17 1 1 A 20 20 HIS HA H 20 4.579 4.431 0.148 1
1 117 . 17 1 1 A 20 20 HIS C C 20 174.670 175.565 -0.895 1
1 118 . 17 1 1 A 20 20 HIS CA C 20 57.354 58.764 -1.410 1
1 119 . 17 1 1 A 20 20 HIS CB C 20 30.787 29.281 1.506 1
1 122 . 17 1 1 A 20 20 HIS N N 20 126.154 118.777 7.377 1
1 123 . 17 1 1 A 21 21 CYS H H 21 7.972 8.147 -0.175 1
1 124 . 17 1 1 A 21 21 CYS HA H 21 4.947 4.946 0.001 1
1 127 . 17 1 1 A 21 21 CYS C C 21 172.879 174.164 -1.285 1
1 128 . 17 1 1 A 21 21 CYS CA C 21 58.891 56.548 2.343 1
1 129 . 17 1 1 A 21 21 CYS CB C 21 29.766 30.337 -0.571 1
1 130 . 17 1 1 A 21 21 CYS N N 21 119.638 115.178 4.460 1
1 131 . 17 1 1 A 22 22 ASP H H 22 8.167 8.722 -0.555 1
1 132 . 17 1 1 A 22 22 ASP HA H 22 4.668 4.872 -0.204 1
1 135 . 17 1 1 A 22 22 ASP C C 22 176.857 175.917 0.940 1
1 136 . 17 1 1 A 22 22 ASP CA C 22 54.587 53.120 1.467 1
1 137 . 17 1 1 A 22 22 ASP CB C 22 40.758 41.159 -0.401 1
1 138 . 17 1 1 A 22 22 ASP N N 22 115.180 121.634 -6.454 1
1 139 . 17 1 1 A 23 23 LYS H H 23 8.407 7.653 0.754 1
1 140 . 17 1 1 A 23 23 LYS HA H 23 4.085 4.340 -0.255 1
1 148 . 17 1 1 A 23 23 LYS C C 23 175.732 175.826 -0.094 1
1 149 . 17 1 1 A 23 23 LYS CA C 23 57.537 55.256 2.281 1
1 150 . 17 1 1 A 23 23 LYS CB C 23 33.593 33.877 -0.284 1
1 154 . 17 1 1 A 23 23 LYS N N 23 122.302 119.949 2.353 1
1 155 . 17 1 1 A 24 24 THR H H 24 7.462 8.470 -1.008 1
1 156 . 17 1 1 A 24 24 THR HA H 24 5.018 5.405 -0.387 1
1 161 . 17 1 1 A 24 24 THR C C 24 173.047 172.745 0.302 1
1 162 . 17 1 1 A 24 24 THR CA C 24 59.500 59.274 0.226 1
1 163 . 17 1 1 A 24 24 THR CB C 24 71.795 71.839 -0.044 1
1 165 . 17 1 1 A 24 24 THR N N 24 110.405 111.910 -1.505 1
1 166 . 17 1 1 A 25 25 PHE H H 25 8.750 8.939 -0.189 1
1 167 . 17 1 1 A 25 25 PHE HA H 25 4.886 4.910 -0.024 1
1 175 . 17 1 1 A 25 25 PHE C C 25 175.982 175.778 0.204 1
1 176 . 17 1 1 A 25 25 PHE CA C 25 57.301 56.517 0.784 1
1 177 . 17 1 1 A 25 25 PHE CB C 25 44.782 43.398 1.384 1
1 183 . 17 1 1 A 25 25 PHE N N 25 116.161 118.168 -2.007 1
1 184 . 17 1 1 A 26 26 ARG HA H 26 4.550 4.359 0.191 1
1 191 . 17 1 1 A 26 26 ARG C C 26 175.820 175.986 -0.166 1
1 192 . 17 1 1 A 26 26 ARG CA C 26 57.830 58.954 -1.124 1
1 193 . 17 1 1 A 26 26 ARG CB C 26 31.465 30.143 1.322 1
1 196 . 17 1 1 A 27 27 GLN H H 27 7.052 7.825 -0.773 1
1 197 . 17 1 1 A 27 27 GLN HA H 27 4.820 4.315 0.505 1
1 204 . 17 1 1 A 27 27 GLN C C 27 175.929 175.773 0.156 1
1 205 . 17 1 1 A 27 27 GLN CA C 27 53.971 54.632 -0.661 1
1 206 . 17 1 1 A 27 27 GLN CB C 27 32.968 30.379 2.589 1
1 208 . 17 1 1 A 27 27 GLN N N 27 111.833 118.418 -6.585 1
1 210 . 17 1 1 A 28 28 LYS H H 28 8.616 8.336 0.280 1
1 211 . 17 1 1 A 28 28 LYS HA H 28 3.013 3.261 -0.248 1
1 220 . 17 1 1 A 28 28 LYS C C 28 177.891 177.691 0.200 1
1 221 . 17 1 1 A 28 28 LYS CA C 28 59.351 59.223 0.128 1
1 222 . 17 1 1 A 28 28 LYS CB C 28 31.901 31.826 0.075 1
1 226 . 17 1 1 A 28 28 LYS N N 28 127.969 124.340 3.629 1
1 227 . 17 1 1 A 29 29 GLN H H 29 9.039 7.791 1.248 1
1 228 . 17 1 1 A 29 29 GLN HA H 29 4.110 3.924 0.186 1
1 235 . 17 1 1 A 29 29 GLN C C 29 178.275 178.468 -0.193 1
1 236 . 17 1 1 A 29 29 GLN CA C 29 59.073 58.675 0.398 1
1 237 . 17 1 1 A 29 29 GLN CB C 29 27.673 28.184 -0.511 1
1 239 . 17 1 1 A 29 29 GLN N N 29 116.426 118.393 -1.967 1
1 241 . 17 1 1 A 30 30 LEU H H 30 6.687 7.647 -0.960 1
1 242 . 17 1 1 A 30 30 LEU HA H 30 4.105 3.902 0.203 1
1 252 . 17 1 1 A 30 30 LEU C C 30 179.455 178.895 0.560 1
1 253 . 17 1 1 A 30 30 LEU CA C 30 56.878 57.695 -0.817 1
1 254 . 17 1 1 A 30 30 LEU CB C 30 41.552 41.522 0.030 1
1 258 . 17 1 1 A 30 30 LEU N N 30 116.469 119.463 -2.994 1
1 259 . 17 1 1 A 31 31 LEU H H 31 6.875 7.405 -0.530 1
1 260 . 17 1 1 A 31 31 LEU HA H 31 3.174 2.688 0.486 1
1 270 . 17 1 1 A 31 31 LEU C C 31 177.599 177.665 -0.066 1
1 271 . 17 1 1 A 31 31 LEU CA C 31 57.829 56.723 1.106 1
1 272 . 17 1 1 A 31 31 LEU CB C 31 39.945 40.929 -0.984 1
1 276 . 17 1 1 A 31 31 LEU N N 31 122.863 119.392 3.471 1
1 277 . 17 1 1 A 32 32 ASP H H 32 8.429 7.741 0.688 1
1 278 . 17 1 1 A 32 32 ASP HA H 32 4.356 4.285 0.071 1
1 281 . 17 1 1 A 32 32 ASP C C 32 179.142 177.977 1.165 1
1 282 . 17 1 1 A 32 32 ASP CA C 32 57.830 56.838 0.992 1
1 283 . 17 1 1 A 32 32 ASP CB C 32 39.978 41.066 -1.088 1
1 284 . 17 1 1 A 32 32 ASP N N 32 120.350 118.806 1.544 1
1 285 . 17 1 1 A 33 33 MET H H 33 7.738 8.122 -0.384 1
1 286 . 17 1 1 A 33 33 MET HA H 33 4.167 3.652 0.515 1
1 294 . 17 1 1 A 33 33 MET C C 33 178.463 178.166 0.297 1
1 295 . 17 1 1 A 33 33 MET CA C 33 58.454 57.795 0.659 1
1 296 . 17 1 1 A 33 33 MET CB C 33 32.924 32.275 0.649 1
1 299 . 17 1 1 A 33 33 MET N N 33 118.109 118.241 -0.132 1
1 300 . 17 1 1 A 34 34 HIS H H 34 7.632 7.802 -0.170 1
1 301 . 17 1 1 A 34 34 HIS HA H 34 4.396 4.314 0.082 1
1 306 . 17 1 1 A 34 34 HIS C C 34 176.258 176.881 -0.623 1
1 307 . 17 1 1 A 34 34 HIS CA C 34 59.715 59.204 0.511 1
1 308 . 17 1 1 A 34 34 HIS CB C 34 28.594 29.858 -1.264 1
1 311 . 17 1 1 A 34 34 HIS N N 34 120.242 120.936 -0.694 1
1 312 . 17 1 1 A 35 35 PHE H H 35 9.373 8.146 1.227 1
1 313 . 17 1 1 A 35 35 PHE HA H 35 3.726 3.863 -0.137 1
1 321 . 17 1 1 A 35 35 PHE C C 35 178.043 177.145 0.898 1
1 322 . 17 1 1 A 35 35 PHE CA C 35 62.870 61.141 1.729 1
1 323 . 17 1 1 A 35 35 PHE CB C 35 39.846 39.341 0.505 1
1 329 . 17 1 1 A 35 35 PHE N N 35 121.691 120.144 1.547 1
1 330 . 17 1 1 A 36 36 LYS H H 36 7.861 7.816 0.045 1
1 331 . 17 1 1 A 36 36 LYS HA H 36 4.139 4.447 -0.308 1
1 340 . 17 1 1 A 36 36 LYS C C 36 176.843 178.192 -1.349 1
1 341 . 17 1 1 A 36 36 LYS CA C 36 58.198 58.285 -0.087 1
1 342 . 17 1 1 A 36 36 LYS CB C 36 32.906 32.138 0.768 1
1 346 . 17 1 1 A 36 36 LYS N N 36 118.022 117.962 0.060 1
1 347 . 17 1 1 A 37 37 ARG H H 37 7.298 7.931 -0.633 1
1 348 . 17 1 1 A 37 37 ARG HA H 37 3.717 4.533 -0.816 1
1 355 . 17 1 1 A 37 37 ARG C C 37 177.872 178.404 -0.532 1
1 356 . 17 1 1 A 37 37 ARG CA C 37 57.874 58.163 -0.289 1
1 357 . 17 1 1 A 37 37 ARG CB C 37 30.619 31.150 -0.531 1
1 360 . 17 1 1 A 37 37 ARG N N 37 114.740 120.296 -5.556 1
1 361 . 17 1 1 A 38 38 TYR H H 38 7.779 8.642 -0.863 1
1 362 . 17 1 1 A 38 38 TYR HA H 38 4.146 4.164 -0.018 1
1 369 . 17 1 1 A 38 38 TYR C C 38 176.160 178.560 -2.400 1
1 370 . 17 1 1 A 38 38 TYR CA C 38 59.941 60.068 -0.127 1
1 371 . 17 1 1 A 38 38 TYR CB C 38 38.516 38.137 0.379 1
1 376 . 17 1 1 A 38 38 TYR N N 38 112.257 119.139 -6.882 1
1 377 . 17 1 1 A 39 39 HIS H H 39 7.679 7.698 -0.019 1
1 378 . 17 1 1 A 39 39 HIS HA H 39 4.943 4.488 0.455 1
1 383 . 17 1 1 A 39 39 HIS C C 39 173.845 175.325 -1.480 1
1 384 . 17 1 1 A 39 39 HIS CA C 39 54.045 58.441 -4.396 1
1 385 . 17 1 1 A 39 39 HIS CB C 39 29.490 29.273 0.217 1
1 388 . 17 1 1 A 39 39 HIS N N 39 114.679 116.606 -1.927 1
1 389 . 17 1 1 A 40 40 ASP H H 40 7.317 7.747 -0.430 1
1 390 . 17 1 1 A 40 40 ASP HA H 40 4.800 4.898 -0.098 1
1 393 . 17 1 1 A 40 40 ASP C C 40 175.035 174.854 0.181 1
1 394 . 17 1 1 A 40 40 ASP CA C 40 51.697 51.081 0.616 1
1 395 . 17 1 1 A 40 40 ASP CB C 40 42.630 42.684 -0.054 1
1 396 . 17 1 1 A 40 40 ASP N N 40 119.125 118.608 0.517 1
1 397 . 17 1 1 A 41 41 PRO HA H 41 4.552 4.409 0.143 1
1 404 . 17 1 1 A 41 41 PRO C C 41 177.331 177.264 0.067 1
1 405 . 17 1 1 A 41 41 PRO CA C 41 64.019 63.949 0.070 1
1 406 . 17 1 1 A 41 41 PRO CB C 41 32.235 32.035 0.200 1
1 409 . 17 1 1 A 42 42 ASN H H 42 8.484 8.532 -0.048 1
1 410 . 17 1 1 A 42 42 ASN HA H 42 4.703 4.568 0.135 1
1 415 . 17 1 1 A 42 42 ASN C C 42 174.879 176.397 -1.518 1
1 416 . 17 1 1 A 42 42 ASN CA C 42 53.371 56.394 -3.023 1
1 417 . 17 1 1 A 42 42 ASN CB C 42 39.009 38.929 0.080 1
1 418 . 17 1 1 A 42 42 ASN N N 42 116.107 116.700 -0.593 1
1 420 . 17 1 1 A 43 43 PHE H H 43 7.741 7.604 0.137 1
1 421 . 17 1 1 A 43 43 PHE HA H 43 4.448 4.547 -0.099 1
1 429 . 17 1 1 A 43 43 PHE CA C 43 58.640 59.647 -1.007 1
1 430 . 17 1 1 A 43 43 PHE CB C 43 40.203 39.855 0.348 1
1 436 . 17 1 1 A 43 43 PHE N N 43 121.284 118.608 2.676 1
1 437 . 17 1 1 A 44 44 VAL H H 44 7.718 8.269 -0.551 1
1 438 . 17 1 1 A 44 44 VAL HA H 44 4.221 4.734 -0.513 1
1 446 . 17 1 1 A 44 44 VAL C C 44 173.190 173.924 -0.734 1
1 447 . 17 1 1 A 44 44 VAL CA C 44 59.177 58.662 0.515 1
1 448 . 17 1 1 A 44 44 VAL CB C 44 33.260 34.260 -1.000 1
1 451 . 17 1 1 A 44 44 VAL N N 44 126.832 126.398 0.434 1
1 452 . 17 1 1 A 45 45 PRO HA H 45 4.114 4.656 -0.542 1
1 459 . 17 1 1 A 45 45 PRO C C 45 176.031 176.549 -0.518 1
1 460 . 17 1 1 A 45 45 PRO CA C 45 62.732 62.666 0.066 1
1 461 . 17 1 1 A 45 45 PRO CB C 45 32.197 32.268 -0.071 1
1 464 . 17 1 1 A 46 46 ALA H H 46 8.199 8.431 -0.232 1
1 465 . 17 1 1 A 46 46 ALA HA H 46 4.161 4.495 -0.334 1
1 469 . 17 1 1 A 46 46 ALA C C 46 176.631 176.802 -0.171 1
1 470 . 17 1 1 A 46 46 ALA CA C 46 52.105 52.397 -0.292 1
1 471 . 17 1 1 A 46 46 ALA CB C 46 19.315 19.273 0.042 1
1 472 . 17 1 1 A 46 46 ALA N N 46 124.122 124.301 -0.179 1
1 473 . 17 1 1 A 47 47 ALA H H 47 7.755 8.844 -1.089 1
1 474 . 17 1 1 A 47 47 ALA HA H 47 4.218 5.324 -1.106 1
1 478 . 17 1 1 A 47 47 ALA C C 47 176.322 175.759 0.563 1
1 479 . 17 1 1 A 47 47 ALA CA C 47 52.140 50.738 1.402 1
1 480 . 17 1 1 A 47 47 ALA CB C 47 20.283 20.548 -0.265 1
1 481 . 17 1 1 A 47 47 ALA N N 47 121.689 127.223 -5.534 1
1 482 . 17 1 1 A 48 48 PHE H H 48 8.323 9.335 -1.012 1
1 483 . 17 1 1 A 48 48 PHE HA H 48 4.782 5.240 -0.458 1
1 491 . 17 1 1 A 48 48 PHE C C 48 174.258 174.634 -0.376 1
1 492 . 17 1 1 A 48 48 PHE CA C 48 57.108 56.856 0.252 1
1 493 . 17 1 1 A 48 48 PHE CB C 48 40.615 40.602 0.013 1
1 499 . 17 1 1 A 48 48 PHE N N 48 118.583 123.394 -4.811 1
1 500 . 17 1 1 A 49 49 VAL H H 49 8.584 9.079 -0.495 1
1 501 . 17 1 1 A 49 49 VAL HA H 49 4.829 4.965 -0.136 1
1 509 . 17 1 1 A 49 49 VAL C C 49 175.667 175.514 0.153 1
1 510 . 17 1 1 A 49 49 VAL CA C 49 60.508 61.595 -1.087 1
1 511 . 17 1 1 A 49 49 VAL CB C 49 35.158 33.244 1.914 1
1 514 . 17 1 1 A 49 49 VAL N N 49 123.555 123.763 -0.208 1
1 515 . 17 1 1 A 50 50 CYS H H 50 9.170 9.318 -0.148 1
1 516 . 17 1 1 A 50 50 CYS HA H 50 4.593 4.658 -0.065 1
1 519 . 17 1 1 A 50 50 CYS C C 50 177.661 175.796 1.865 1
1 520 . 17 1 1 A 50 50 CYS CA C 50 59.909 59.867 0.042 1
1 521 . 17 1 1 A 50 50 CYS CB C 50 30.835 28.777 2.058 1
1 522 . 17 1 1 A 50 50 CYS N N 50 128.866 127.192 1.674 1
1 523 . 17 1 1 A 51 51 SER H H 51 9.205 9.198 0.007 1
1 524 . 17 1 1 A 51 51 SER HA H 51 4.271 4.565 -0.294 1
1 527 . 17 1 1 A 51 51 SER C C 51 174.401 174.964 -0.563 1
1 528 . 17 1 1 A 51 51 SER CA C 51 60.890 59.150 1.740 1
1 529 . 17 1 1 A 51 51 SER CB C 51 63.231 63.708 -0.477 1
1 530 . 17 1 1 A 51 51 SER N N 51 128.162 122.820 5.342 1
1 531 . 17 1 1 A 52 52 LYS H H 52 9.118 7.629 1.489 1
1 532 . 17 1 1 A 52 52 LYS HA H 52 4.421 4.312 0.109 1
1 541 . 17 1 1 A 52 52 LYS C C 52 177.831 178.278 -0.447 1
1 542 . 17 1 1 A 52 52 LYS CA C 52 58.535 58.436 0.099 1
1 543 . 17 1 1 A 52 52 LYS CB C 52 34.152 33.378 0.774 1
1 547 . 17 1 1 A 52 52 LYS N N 52 123.970 119.931 4.039 1
1 548 . 17 1 1 A 53 53 CYS H H 53 8.241 8.147 0.094 1
1 549 . 17 1 1 A 53 53 CYS HA H 53 4.999 4.591 0.408 1
1 552 . 17 1 1 A 53 53 CYS C C 53 176.529 175.432 1.097 1
1 553 . 17 1 1 A 53 53 CYS CA C 53 58.587 59.689 -1.102 1
1 554 . 17 1 1 A 53 53 CYS CB C 53 33.353 29.564 3.789 1
1 555 . 17 1 1 A 53 53 CYS N N 53 115.684 113.654 2.030 1
1 556 . 17 1 1 A 54 54 GLY H H 54 8.290 8.306 -0.016 1
1 557 . 17 1 1 A 54 54 GLY HA2 H 54 4.226 4.072 0.154 1
1 558 . 17 1 1 A 54 54 GLY HA3 H 54 3.733 4.097 -0.364 1
1 559 . 17 1 1 A 54 54 GLY C C 54 173.761 174.503 -0.742 1
1 560 . 17 1 1 A 54 54 GLY CA C 54 46.147 45.499 0.648 1
1 561 . 17 1 1 A 54 54 GLY N N 54 113.723 110.308 3.415 1
1 562 . 17 1 1 A 55 55 LYS H H 55 8.598 7.959 0.639 1
1 563 . 17 1 1 A 55 55 LYS HA H 55 4.074 4.588 -0.514 1
1 572 . 17 1 1 A 55 55 LYS C C 55 174.748 176.693 -1.945 1
1 573 . 17 1 1 A 55 55 LYS CA C 55 58.270 55.070 3.200 1
1 574 . 17 1 1 A 55 55 LYS CB C 55 33.778 34.001 -0.223 1
1 578 . 17 1 1 A 55 55 LYS N N 55 124.175 121.245 2.930 1
1 579 . 17 1 1 A 56 56 THR H H 56 7.708 8.307 -0.599 1
1 580 . 17 1 1 A 56 56 THR HA H 56 5.028 4.986 0.042 1
1 585 . 17 1 1 A 56 56 THR C C 56 173.673 173.789 -0.116 1
1 586 . 17 1 1 A 56 56 THR CA C 56 60.779 61.064 -0.285 1
1 587 . 17 1 1 A 56 56 THR CB C 56 70.823 70.233 0.590 1
1 589 . 17 1 1 A 56 56 THR N N 56 113.091 115.569 -2.478 1
1 590 . 17 1 1 A 57 57 PHE H H 57 8.944 9.062 -0.118 1
1 591 . 17 1 1 A 57 57 PHE HA H 57 4.850 4.876 -0.026 1
1 599 . 17 1 1 A 57 57 PHE C C 57 175.764 175.860 -0.096 1
1 600 . 17 1 1 A 57 57 PHE CA C 57 56.949 56.309 0.640 1
1 601 . 17 1 1 A 57 57 PHE CB C 57 43.729 43.071 0.658 1
1 607 . 17 1 1 A 57 57 PHE N N 57 119.958 120.586 -0.628 1
1 608 . 17 1 1 A 58 58 THR HA H 58 4.629 4.384 0.245 1
1 613 . 17 1 1 A 58 58 THR CA C 58 62.738 63.886 -1.148 1
1 614 . 17 1 1 A 58 58 THR CB C 58 69.810 70.003 -0.193 1
1 616 . 17 1 1 A 59 59 ARG H H 59 7.422 7.932 -0.510 1
1 617 . 17 1 1 A 59 59 ARG HA H 59 4.740 4.726 0.014 1
1 624 . 17 1 1 A 59 59 ARG CA C 59 54.724 53.721 1.003 1
1 625 . 17 1 1 A 59 59 ARG CB C 59 33.659 33.218 0.441 1
1 628 . 17 1 1 A 59 59 ARG N N 59 118.359 121.322 -2.963 1
1 629 . 17 1 1 A 60 60 ARG HA H 60 2.949 3.029 -0.080 1
1 636 . 17 1 1 A 60 60 ARG CA C 60 59.468 58.487 0.981 1
1 637 . 17 1 1 A 60 60 ARG CB C 60 29.732 29.637 0.095 1
1 640 . 17 1 1 A 61 61 ASN HA H 61 4.332 4.302 0.030 1
1 645 . 17 1 1 A 61 61 ASN C C 61 177.497 177.986 -0.489 1
1 646 . 17 1 1 A 61 61 ASN CA C 61 56.212 56.375 -0.163 1
1 647 . 17 1 1 A 61 61 ASN CB C 61 37.142 38.666 -1.524 1
1 649 . 17 1 1 A 62 62 THR H H 62 7.076 8.129 -1.053 1
1 650 . 17 1 1 A 62 62 THR HA H 62 3.893 3.802 0.091 1
1 655 . 17 1 1 A 62 62 THR C C 62 176.684 175.855 0.829 1
1 656 . 17 1 1 A 62 62 THR CA C 62 65.025 67.080 -2.055 1
1 657 . 17 1 1 A 62 62 THR CB C 62 68.112 68.598 -0.486 1
1 659 . 17 1 1 A 62 62 THR N N 62 115.050 115.210 -0.160 1
1 660 . 17 1 1 A 63 63 MET H H 63 7.149 8.129 -0.980 1
1 661 . 17 1 1 A 63 63 MET HA H 63 2.545 3.104 -0.559 1
1 669 . 17 1 1 A 63 63 MET C C 63 176.978 177.589 -0.611 1
1 670 . 17 1 1 A 63 63 MET CA C 63 58.791 57.627 1.164 1
1 671 . 17 1 1 A 63 63 MET CB C 63 31.556 31.813 -0.257 1
1 674 . 17 1 1 A 63 63 MET N N 63 122.700 119.809 2.891 1
1 675 . 17 1 1 A 64 64 ALA H H 64 8.383 8.381 0.002 1
1 676 . 17 1 1 A 64 64 ALA HA H 64 3.944 3.958 -0.014 1
1 680 . 17 1 1 A 64 64 ALA C C 64 179.879 180.067 -0.188 1
1 681 . 17 1 1 A 64 64 ALA CA C 64 55.324 55.256 0.068 1
1 682 . 17 1 1 A 64 64 ALA CB C 64 18.033 18.427 -0.394 1
1 683 . 17 1 1 A 64 64 ALA N N 64 122.001 121.373 0.628 1
1 684 . 17 1 1 A 65 65 ARG H H 65 7.574 8.115 -0.541 1
1 685 . 17 1 1 A 65 65 ARG HA H 65 4.139 4.218 -0.079 1
1 692 . 17 1 1 A 65 65 ARG C C 65 178.946 178.842 0.104 1
1 693 . 17 1 1 A 65 65 ARG CA C 65 58.182 59.526 -1.344 1
1 694 . 17 1 1 A 65 65 ARG CB C 65 30.153 29.696 0.457 1
1 697 . 17 1 1 A 65 65 ARG N N 65 116.551 117.418 -0.867 1
1 698 . 17 1 1 A 66 66 HIS H H 66 7.455 7.814 -0.359 1
1 699 . 17 1 1 A 66 66 HIS HA H 66 4.271 4.305 -0.034 1
1 704 . 17 1 1 A 66 66 HIS C C 66 177.633 176.435 1.198 1
1 705 . 17 1 1 A 66 66 HIS CA C 66 59.046 59.712 -0.666 1
1 706 . 17 1 1 A 66 66 HIS CB C 66 27.820 29.669 -1.849 1
1 709 . 17 1 1 A 66 66 HIS N N 66 118.483 119.795 -1.312 1
1 710 . 17 1 1 A 67 67 ALA H H 67 8.869 8.198 0.671 1
1 711 . 17 1 1 A 67 67 ALA HA H 67 3.968 3.778 0.190 1
1 715 . 17 1 1 A 67 67 ALA C C 67 179.374 179.485 -0.111 1
1 716 . 17 1 1 A 67 67 ALA CA C 67 55.186 55.153 0.033 1
1 717 . 17 1 1 A 67 67 ALA CB C 67 18.851 18.219 0.632 1
1 718 . 17 1 1 A 67 67 ALA N N 67 122.114 120.567 1.547 1
1 719 . 17 1 1 A 68 68 ASP H H 68 7.476 7.763 -0.287 1
1 720 . 17 1 1 A 68 68 ASP HA H 68 4.401 4.243 0.158 1
1 723 . 17 1 1 A 68 68 ASP C C 68 176.580 177.991 -1.411 1
1 724 . 17 1 1 A 68 68 ASP CA C 68 56.772 57.666 -0.894 1
1 725 . 17 1 1 A 68 68 ASP CB C 68 40.945 40.051 0.894 1
1 726 . 17 1 1 A 68 68 ASP N N 68 116.466 119.734 -3.268 1
1 727 . 17 1 1 A 69 69 ASN H H 69 7.227 7.353 -0.126 1
1 728 . 17 1 1 A 69 69 ASN HA H 69 4.905 4.751 0.154 1
1 733 . 17 1 1 A 69 69 ASN C C 69 173.603 174.876 -1.273 1
1 734 . 17 1 1 A 69 69 ASN CA C 69 52.518 53.768 -1.250 1
1 735 . 17 1 1 A 69 69 ASN CB C 69 40.657 38.912 1.745 1
1 736 . 17 1 1 A 69 69 ASN N N 69 114.158 114.136 0.022 1
1 738 . 17 1 1 A 70 70 CYS H H 70 7.201 7.283 -0.082 1
1 739 . 17 1 1 A 70 70 CYS HA H 70 3.902 4.249 -0.347 1
1 742 . 17 1 1 A 70 70 CYS C C 70 175.424 173.987 1.437 1
1 743 . 17 1 1 A 70 70 CYS CA C 70 61.195 58.996 2.199 1
1 744 . 17 1 1 A 70 70 CYS CB C 70 29.288 28.762 0.526 1
1 745 . 17 1 1 A 70 70 CYS N N 70 124.154 120.351 3.803 1
1 746 . 17 1 1 A 71 71 ALA H H 71 8.783 8.711 0.072 1
1 747 . 17 1 1 A 71 71 ALA HA H 71 4.562 4.409 0.153 1
1 751 . 17 1 1 A 71 71 ALA C C 71 177.513 177.067 0.446 1
1 752 . 17 1 1 A 71 71 ALA CA C 71 51.926 53.176 -1.250 1
1 753 . 17 1 1 A 71 71 ALA CB C 71 19.698 21.004 -1.306 1
1 754 . 17 1 1 A 71 71 ALA N N 71 131.493 125.533 5.960 1
1 755 . 17 1 1 A 72 72 GLY H H 72 8.645 7.296 1.349 1
1 756 . 17 1 1 A 72 72 GLY HA2 H 72 4.469 4.089 0.380 1
1 757 . 17 1 1 A 72 72 GLY HA3 H 72 3.628 4.096 -0.468 1
1 758 . 17 1 1 A 72 72 GLY C C 72 171.320 171.536 -0.216 1
1 759 . 17 1 1 A 72 72 GLY CA C 72 44.286 44.776 -0.490 1
1 760 . 17 1 1 A 72 72 GLY N N 72 110.083 102.355 7.728 1
1 761 . 17 1 1 A 73 73 PRO HA H 73 4.470 4.648 -0.178 1
1 768 . 17 1 1 A 73 73 PRO C C 73 176.905 174.889 2.016 1
1 769 . 17 1 1 A 73 73 PRO CA C 73 63.706 62.542 1.164 1
1 770 . 17 1 1 A 73 73 PRO CB C 73 32.344 33.293 -0.949 1
1 773 . 17 1 1 A 74 74 ASP H H 74 8.506 8.839 -0.333 1
1 774 . 17 1 1 A 74 74 ASP HA H 74 4.659 4.903 -0.244 1
1 777 . 17 1 1 A 74 74 ASP C C 74 176.869 175.092 1.777 1
1 778 . 17 1 1 A 74 74 ASP CA C 74 54.617 53.114 1.503 1
1 779 . 17 1 1 A 74 74 ASP CB C 74 41.335 44.612 -3.277 1
1 780 . 17 1 1 A 74 74 ASP N N 74 120.155 120.871 -0.716 1
1 781 . 17 1 1 A 75 75 GLY H H 75 8.257 8.756 -0.499 1
1 782 . 17 1 1 A 75 75 GLY HA2 H 75 4.072 3.985 0.087 1
1 783 . 17 1 1 A 75 75 GLY HA3 H 75 3.965 3.985 -0.020 1
1 784 . 17 1 1 A 75 75 GLY C C 75 174.256 173.748 0.508 1
1 785 . 17 1 1 A 75 75 GLY CA C 75 45.653 45.980 -0.327 1
1 786 . 17 1 1 A 75 75 GLY N N 75 108.913 113.256 -4.343 1
1 787 . 17 1 1 A 76 76 VAL H H 76 8.079 8.440 -0.361 1
1 788 . 17 1 1 A 76 76 VAL HA H 76 4.169 4.644 -0.475 1
1 796 . 17 1 1 A 76 76 VAL C C 76 176.347 173.163 3.184 1
1 797 . 17 1 1 A 76 76 VAL CA C 76 62.295 60.483 1.812 1
1 798 . 17 1 1 A 76 76 VAL CB C 76 32.871 34.424 -1.553 1
1 801 . 17 1 1 A 76 76 VAL N N 76 119.508 123.220 -3.712 1
1 802 . 17 1 1 A 77 77 GLU H H 77 8.619 9.006 -0.387 1
1 803 . 17 1 1 A 77 77 GLU HA H 77 4.310 5.072 -0.762 1
1 808 . 17 1 1 A 77 77 GLU C C 77 177.046 175.260 1.786 1
1 809 . 17 1 1 A 77 77 GLU CA C 77 56.966 54.447 2.519 1
1 810 . 17 1 1 A 77 77 GLU CB C 77 30.318 33.347 -3.029 1
1 812 . 17 1 1 A 77 77 GLU N N 77 125.001 127.024 -2.023 1
1 813 . 17 1 1 A 78 78 GLY H H 78 8.446 8.642 -0.196 1
1 814 . 17 1 1 A 78 78 GLY HA2 H 78 3.987 4.224 -0.237 1
1 815 . 17 1 1 A 78 78 GLY HA3 H 78 3.987 4.225 -0.238 1
1 816 . 17 1 1 A 78 78 GLY C C 78 174.238 172.698 1.540 1
1 817 . 17 1 1 A 78 78 GLY CA C 78 45.283 44.366 0.917 1
1 818 . 17 1 1 A 78 78 GLY N N 78 110.357 107.593 2.764 1
1 819 . 17 1 1 A 79 79 GLU H H 79 8.313 8.928 -0.615 1
1 820 . 17 1 1 A 79 79 GLU HA H 79 4.309 4.519 -0.210 1
1 825 . 17 1 1 A 79 79 GLU C C 79 176.509 174.898 1.611 1
1 826 . 17 1 1 A 79 79 GLU CA C 79 56.755 55.867 0.888 1
1 827 . 17 1 1 A 79 79 GLU CB C 79 30.317 32.684 -2.367 1
1 829 . 17 1 1 A 79 79 GLU N N 79 120.638 119.415 1.223 1
1 830 . 17 1 1 A 80 80 ASN H H 80 8.588 8.716 -0.128 1
1 831 . 17 1 1 A 80 80 ASN HA H 80 4.801 4.207 0.594 1
1 834 . 17 1 1 A 80 80 ASN C C 80 175.202 173.675 1.527 1
1 835 . 17 1 1 A 80 80 ASN CA C 80 53.336 54.227 -0.891 1
1 836 . 17 1 1 A 80 80 ASN CB C 80 39.051 37.029 2.022 1
1 837 . 17 1 1 A 80 80 ASN N N 80 119.808 119.571 0.237 1
1 838 . 17 1 1 A 81 81 SER H H 81 8.322 7.859 0.463 1
1 839 . 17 1 1 A 81 81 SER HA H 81 4.517 4.883 -0.366 1
1 842 . 17 1 1 A 81 81 SER C C 81 174.643 172.971 1.672 1
1 843 . 17 1 1 A 81 81 SER CA C 81 58.499 56.695 1.804 1
1 844 . 17 1 1 A 81 81 SER CB C 81 64.056 63.923 0.133 1
1 845 . 17 1 1 A 81 81 SER N N 81 116.318 113.221 3.097 1
1 846 . 17 1 1 A 82 82 GLY H H 82 8.303 8.626 -0.323 1
1 847 . 17 1 1 A 82 82 GLY HA2 H 82 4.170 4.298 -0.128 1
1 848 . 17 1 1 A 82 82 GLY HA3 H 82 4.125 4.305 -0.180 1
1 849 . 17 1 1 A 82 82 GLY C C 82 171.855 171.703 0.152 1
1 850 . 17 1 1 A 82 82 GLY CA C 82 44.719 44.704 0.015 1
1 851 . 17 1 1 A 82 82 GLY N N 82 110.706 114.027 -3.321 1
1 852 . 17 1 1 A 83 83 PRO HA H 83 4.498 4.661 -0.163 1
1 859 . 17 1 1 A 83 83 PRO C C 83 177.459 176.047 1.412 1
1 860 . 17 1 1 A 83 83 PRO CA C 83 63.274 62.568 0.706 1
1 861 . 17 1 1 A 83 83 PRO CB C 83 32.254 31.231 1.023 1
1 864 . 17 1 1 A 84 84 SER H H 84 8.541 8.576 -0.035 1
1 865 . 17 1 1 A 84 84 SER HA H 84 4.508 4.822 -0.314 1
1 868 . 17 1 1 A 84 84 SER C C 84 174.744 174.469 0.275 1
1 869 . 17 1 1 A 84 84 SER CA C 84 58.412 58.517 -0.105 1
1 870 . 17 1 1 A 84 84 SER CB C 84 64.056 64.563 -0.507 1
1 871 . 17 1 1 A 84 84 SER N N 84 116.449 120.150 -3.701 1
1 872 . 17 1 1 A 85 85 SER H H 85 8.353 8.658 -0.305 1
1 873 . 17 1 1 A 85 85 SER HA H 85 4.517 4.458 0.059 1
1 876 . 17 1 1 A 85 85 SER C C 85 173.953 175.136 -1.183 1
1 877 . 17 1 1 A 85 85 SER CA C 85 58.492 60.062 -1.570 1
1 878 . 17 1 1 A 85 85 SER CB C 85 64.138 63.392 0.746 1
1 879 . 17 1 1 A 85 85 SER N N 85 117.940 121.155 -3.215 1
1 1 . 18 1 1 A 8 8 ARG HA H 8 4.432 4.616 -0.184 1
1 7 . 18 1 1 A 8 8 ARG CA C 8 56.069 54.742 1.327 1
1 8 . 18 1 1 A 8 8 ARG CB C 8 30.974 31.109 -0.135 1
1 14 . 18 1 1 A 9 9 THR CB C 9 69.816 68.753 1.063 1
1 16 . 18 1 1 A 10 10 HIS HA H 10 4.730 5.242 -0.512 1
1 21 . 18 1 1 A 10 10 HIS CA C 10 56.345 53.795 2.550 1
1 22 . 18 1 1 A 10 10 HIS CB C 10 31.058 32.812 -1.754 1
1 28 . 18 1 1 A 11 11 THR CB C 11 69.816 70.772 -0.956 1
1 30 . 18 1 1 A 12 12 GLY HA2 H 12 3.978 3.914 0.064 1
1 31 . 18 1 1 A 12 12 GLY HA3 H 12 3.978 3.914 0.064 1
1 32 . 18 1 1 A 12 12 GLY CA C 12 45.442 47.089 -1.647 1
1 33 . 18 1 1 A 13 13 GLU H H 13 8.243 7.663 0.580 1
1 34 . 18 1 1 A 13 13 GLU HA H 13 4.235 4.676 -0.441 1
1 39 . 18 1 1 A 13 13 GLU CA C 13 56.898 55.872 1.026 1
1 40 . 18 1 1 A 13 13 GLU CB C 13 30.495 33.459 -2.964 1
1 42 . 18 1 1 A 13 13 GLU N N 13 120.364 117.365 2.999 1
1 43 . 18 1 1 A 14 14 LYS H H 14 8.276 8.763 -0.487 1
1 44 . 18 1 1 A 14 14 LYS HA H 14 4.528 5.054 -0.526 1
1 53 . 18 1 1 A 14 14 LYS CA C 14 54.009 52.921 1.088 1
1 54 . 18 1 1 A 14 14 LYS CB C 14 32.667 33.370 -0.703 1
1 58 . 18 1 1 A 14 14 LYS N N 14 121.981 127.398 -5.417 1
1 59 . 18 1 1 A 15 15 PRO HA H 15 4.347 4.455 -0.108 1
1 66 . 18 1 1 A 15 15 PRO CA C 15 63.237 64.579 -1.342 1
1 67 . 18 1 1 A 15 15 PRO CB C 15 32.365 31.796 0.569 1
1 70 . 18 1 1 A 16 16 TYR H H 16 8.234 7.653 0.581 1
1 71 . 18 1 1 A 16 16 TYR HA H 16 4.508 4.788 -0.280 1
1 78 . 18 1 1 A 16 16 TYR C C 16 174.453 174.707 -0.254 1
1 79 . 18 1 1 A 16 16 TYR CA C 16 58.076 56.904 1.172 1
1 80 . 18 1 1 A 16 16 TYR CB C 16 38.346 37.965 0.381 1
1 85 . 18 1 1 A 16 16 TYR N N 16 118.751 117.982 0.769 1
1 86 . 18 1 1 A 17 17 ALA H H 17 8.567 9.021 -0.454 1
1 87 . 18 1 1 A 17 17 ALA HA H 17 4.754 5.301 -0.547 1
1 91 . 18 1 1 A 17 17 ALA C C 17 176.249 176.634 -0.385 1
1 92 . 18 1 1 A 17 17 ALA CA C 17 51.274 50.514 0.760 1
1 93 . 18 1 1 A 17 17 ALA CB C 17 20.625 21.197 -0.572 1
1 94 . 18 1 1 A 17 17 ALA N N 17 127.897 127.767 0.130 1
1 95 . 18 1 1 A 18 18 CYS H H 18 8.464 8.707 -0.243 1
1 96 . 18 1 1 A 18 18 CYS HA H 18 4.538 4.473 0.065 1
1 99 . 18 1 1 A 18 18 CYS C C 18 175.739 176.385 -0.646 1
1 100 . 18 1 1 A 18 18 CYS CA C 18 60.966 60.091 0.875 1
1 101 . 18 1 1 A 18 18 CYS CB C 18 29.435 28.470 0.965 1
1 102 . 18 1 1 A 18 18 CYS N N 18 125.366 122.672 2.694 1
1 103 . 18 1 1 A 19 19 SER H H 19 8.439 8.827 -0.388 1
1 104 . 18 1 1 A 19 19 SER HA H 19 4.426 4.583 -0.157 1
1 107 . 18 1 1 A 19 19 SER C C 19 175.890 175.699 0.191 1
1 108 . 18 1 1 A 19 19 SER CA C 19 60.085 59.540 0.545 1
1 109 . 18 1 1 A 19 19 SER CB C 19 64.097 64.252 -0.155 1
1 110 . 18 1 1 A 19 19 SER N N 19 121.912 120.901 1.011 1
1 111 . 18 1 1 A 20 20 HIS H H 20 9.949 7.810 2.139 1
1 112 . 18 1 1 A 20 20 HIS HA H 20 4.579 4.580 -0.001 1
1 117 . 18 1 1 A 20 20 HIS C C 20 174.670 175.657 -0.987 1
1 118 . 18 1 1 A 20 20 HIS CA C 20 57.354 57.275 0.079 1
1 119 . 18 1 1 A 20 20 HIS CB C 20 30.787 31.443 -0.656 1
1 122 . 18 1 1 A 20 20 HIS N N 20 126.154 118.080 8.074 1
1 123 . 18 1 1 A 21 21 CYS H H 21 7.972 8.123 -0.151 1
1 124 . 18 1 1 A 21 21 CYS HA H 21 4.947 4.959 -0.012 1
1 127 . 18 1 1 A 21 21 CYS C C 21 172.879 174.405 -1.526 1
1 128 . 18 1 1 A 21 21 CYS CA C 21 58.891 56.873 2.018 1
1 129 . 18 1 1 A 21 21 CYS CB C 21 29.766 30.606 -0.840 1
1 130 . 18 1 1 A 21 21 CYS N N 21 119.638 115.068 4.570 1
1 131 . 18 1 1 A 22 22 ASP H H 22 8.167 8.709 -0.542 1
1 132 . 18 1 1 A 22 22 ASP HA H 22 4.668 4.827 -0.159 1
1 135 . 18 1 1 A 22 22 ASP C C 22 176.857 175.966 0.891 1
1 136 . 18 1 1 A 22 22 ASP CA C 22 54.587 53.080 1.507 1
1 137 . 18 1 1 A 22 22 ASP CB C 22 40.758 40.978 -0.220 1
1 138 . 18 1 1 A 22 22 ASP N N 22 115.180 121.611 -6.431 1
1 139 . 18 1 1 A 23 23 LYS H H 23 8.407 7.673 0.734 1
1 140 . 18 1 1 A 23 23 LYS HA H 23 4.085 4.430 -0.345 1
1 148 . 18 1 1 A 23 23 LYS C C 23 175.732 175.706 0.026 1
1 149 . 18 1 1 A 23 23 LYS CA C 23 57.537 55.082 2.455 1
1 150 . 18 1 1 A 23 23 LYS CB C 23 33.593 33.797 -0.204 1
1 154 . 18 1 1 A 23 23 LYS N N 23 122.302 119.945 2.357 1
1 155 . 18 1 1 A 24 24 THR H H 24 7.462 8.459 -0.997 1
1 156 . 18 1 1 A 24 24 THR HA H 24 5.018 5.297 -0.279 1
1 161 . 18 1 1 A 24 24 THR C C 24 173.047 172.992 0.055 1
1 162 . 18 1 1 A 24 24 THR CA C 24 59.500 59.625 -0.125 1
1 163 . 18 1 1 A 24 24 THR CB C 24 71.795 72.207 -0.412 1
1 165 . 18 1 1 A 24 24 THR N N 24 110.405 111.825 -1.420 1
1 166 . 18 1 1 A 25 25 PHE H H 25 8.750 9.170 -0.420 1
1 167 . 18 1 1 A 25 25 PHE HA H 25 4.886 4.891 -0.005 1
1 175 . 18 1 1 A 25 25 PHE C C 25 175.982 176.120 -0.138 1
1 176 . 18 1 1 A 25 25 PHE CA C 25 57.301 56.434 0.867 1
1 177 . 18 1 1 A 25 25 PHE CB C 25 44.782 42.804 1.978 1
1 183 . 18 1 1 A 25 25 PHE N N 25 116.161 118.181 -2.020 1
1 184 . 18 1 1 A 26 26 ARG HA H 26 4.550 4.326 0.224 1
1 191 . 18 1 1 A 26 26 ARG C C 26 175.820 176.502 -0.682 1
1 192 . 18 1 1 A 26 26 ARG CA C 26 57.830 59.094 -1.264 1
1 193 . 18 1 1 A 26 26 ARG CB C 26 31.465 30.020 1.445 1
1 196 . 18 1 1 A 27 27 GLN H H 27 7.052 7.945 -0.893 1
1 197 . 18 1 1 A 27 27 GLN HA H 27 4.820 4.369 0.451 1
1 204 . 18 1 1 A 27 27 GLN C C 27 175.929 176.105 -0.176 1
1 205 . 18 1 1 A 27 27 GLN CA C 27 53.971 54.125 -0.154 1
1 206 . 18 1 1 A 27 27 GLN CB C 27 32.968 31.056 1.912 1
1 208 . 18 1 1 A 27 27 GLN N N 27 111.833 118.508 -6.675 1
1 210 . 18 1 1 A 28 28 LYS H H 28 8.616 7.917 0.699 1
1 211 . 18 1 1 A 28 28 LYS HA H 28 3.013 3.594 -0.581 1
1 220 . 18 1 1 A 28 28 LYS C C 28 177.891 178.226 -0.335 1
1 221 . 18 1 1 A 28 28 LYS CA C 28 59.351 58.925 0.426 1
1 222 . 18 1 1 A 28 28 LYS CB C 28 31.901 31.744 0.157 1
1 226 . 18 1 1 A 28 28 LYS N N 28 127.969 122.057 5.912 1
1 227 . 18 1 1 A 29 29 GLN H H 29 9.039 7.786 1.253 1
1 228 . 18 1 1 A 29 29 GLN HA H 29 4.110 3.918 0.192 1
1 235 . 18 1 1 A 29 29 GLN C C 29 178.275 178.192 0.083 1
1 236 . 18 1 1 A 29 29 GLN CA C 29 59.073 58.868 0.205 1
1 237 . 18 1 1 A 29 29 GLN CB C 29 27.673 28.332 -0.659 1
1 239 . 18 1 1 A 29 29 GLN N N 29 116.426 119.020 -2.594 1
1 241 . 18 1 1 A 30 30 LEU H H 30 6.687 7.837 -1.150 1
1 242 . 18 1 1 A 30 30 LEU HA H 30 4.105 3.899 0.206 1
1 252 . 18 1 1 A 30 30 LEU C C 30 179.455 178.787 0.668 1
1 253 . 18 1 1 A 30 30 LEU CA C 30 56.878 57.564 -0.686 1
1 254 . 18 1 1 A 30 30 LEU CB C 30 41.552 41.839 -0.287 1
1 258 . 18 1 1 A 30 30 LEU N N 30 116.469 119.909 -3.440 1
1 259 . 18 1 1 A 31 31 LEU H H 31 6.875 7.457 -0.582 1
1 260 . 18 1 1 A 31 31 LEU HA H 31 3.174 2.170 1.004 1
1 270 . 18 1 1 A 31 31 LEU C C 31 177.599 177.922 -0.323 1
1 271 . 18 1 1 A 31 31 LEU CA C 31 57.829 56.960 0.869 1
1 272 . 18 1 1 A 31 31 LEU CB C 31 39.945 40.573 -0.628 1
1 276 . 18 1 1 A 31 31 LEU N N 31 122.863 119.176 3.687 1
1 277 . 18 1 1 A 32 32 ASP H H 32 8.429 8.148 0.281 1
1 278 . 18 1 1 A 32 32 ASP HA H 32 4.356 4.220 0.136 1
1 281 . 18 1 1 A 32 32 ASP C C 32 179.142 178.270 0.872 1
1 282 . 18 1 1 A 32 32 ASP CA C 32 57.830 57.161 0.669 1
1 283 . 18 1 1 A 32 32 ASP CB C 32 39.978 40.993 -1.015 1
1 284 . 18 1 1 A 32 32 ASP N N 32 120.350 119.101 1.249 1
1 285 . 18 1 1 A 33 33 MET H H 33 7.738 8.218 -0.480 1
1 286 . 18 1 1 A 33 33 MET HA H 33 4.167 3.783 0.384 1
1 294 . 18 1 1 A 33 33 MET C C 33 178.463 178.060 0.403 1
1 295 . 18 1 1 A 33 33 MET CA C 33 58.454 57.724 0.730 1
1 296 . 18 1 1 A 33 33 MET CB C 33 32.924 32.093 0.831 1
1 299 . 18 1 1 A 33 33 MET N N 33 118.109 118.700 -0.591 1
1 300 . 18 1 1 A 34 34 HIS H H 34 7.632 8.016 -0.384 1
1 301 . 18 1 1 A 34 34 HIS HA H 34 4.396 4.273 0.123 1
1 306 . 18 1 1 A 34 34 HIS C C 34 176.258 176.735 -0.477 1
1 307 . 18 1 1 A 34 34 HIS CA C 34 59.715 59.064 0.651 1
1 308 . 18 1 1 A 34 34 HIS CB C 34 28.594 30.141 -1.547 1
1 311 . 18 1 1 A 34 34 HIS N N 34 120.242 120.795 -0.553 1
1 312 . 18 1 1 A 35 35 PHE H H 35 9.373 7.726 1.647 1
1 313 . 18 1 1 A 35 35 PHE HA H 35 3.726 3.876 -0.150 1
1 321 . 18 1 1 A 35 35 PHE C C 35 178.043 177.268 0.775 1
1 322 . 18 1 1 A 35 35 PHE CA C 35 62.870 61.334 1.536 1
1 323 . 18 1 1 A 35 35 PHE CB C 35 39.846 39.272 0.574 1
1 329 . 18 1 1 A 35 35 PHE N N 35 121.691 120.405 1.286 1
1 330 . 18 1 1 A 36 36 LYS H H 36 7.861 8.003 -0.142 1
1 331 . 18 1 1 A 36 36 LYS HA H 36 4.139 4.470 -0.331 1
1 340 . 18 1 1 A 36 36 LYS C C 36 176.843 178.472 -1.629 1
1 341 . 18 1 1 A 36 36 LYS CA C 36 58.198 58.468 -0.270 1
1 342 . 18 1 1 A 36 36 LYS CB C 36 32.906 32.364 0.542 1
1 346 . 18 1 1 A 36 36 LYS N N 36 118.022 117.935 0.087 1
1 347 . 18 1 1 A 37 37 ARG H H 37 7.298 7.661 -0.363 1
1 348 . 18 1 1 A 37 37 ARG HA H 37 3.717 4.339 -0.622 1
1 355 . 18 1 1 A 37 37 ARG C C 37 177.872 178.384 -0.512 1
1 356 . 18 1 1 A 37 37 ARG CA C 37 57.874 58.264 -0.390 1
1 357 . 18 1 1 A 37 37 ARG CB C 37 30.619 30.880 -0.261 1
1 360 . 18 1 1 A 37 37 ARG N N 37 114.740 120.404 -5.664 1
1 361 . 18 1 1 A 38 38 TYR H H 38 7.779 8.362 -0.583 1
1 362 . 18 1 1 A 38 38 TYR HA H 38 4.146 4.159 -0.013 1
1 369 . 18 1 1 A 38 38 TYR C C 38 176.160 178.553 -2.393 1
1 370 . 18 1 1 A 38 38 TYR CA C 38 59.941 60.230 -0.289 1
1 371 . 18 1 1 A 38 38 TYR CB C 38 38.516 38.128 0.388 1
1 376 . 18 1 1 A 38 38 TYR N N 38 112.257 118.860 -6.603 1
1 377 . 18 1 1 A 39 39 HIS H H 39 7.679 7.734 -0.055 1
1 378 . 18 1 1 A 39 39 HIS HA H 39 4.943 4.447 0.496 1
1 383 . 18 1 1 A 39 39 HIS C C 39 173.845 175.200 -1.355 1
1 384 . 18 1 1 A 39 39 HIS CA C 39 54.045 58.352 -4.307 1
1 385 . 18 1 1 A 39 39 HIS CB C 39 29.490 29.050 0.440 1
1 388 . 18 1 1 A 39 39 HIS N N 39 114.679 116.575 -1.896 1
1 389 . 18 1 1 A 40 40 ASP H H 40 7.317 7.755 -0.438 1
1 390 . 18 1 1 A 40 40 ASP HA H 40 4.800 4.958 -0.158 1
1 393 . 18 1 1 A 40 40 ASP C C 40 175.035 174.878 0.157 1
1 394 . 18 1 1 A 40 40 ASP CA C 40 51.697 50.791 0.906 1
1 395 . 18 1 1 A 40 40 ASP CB C 40 42.630 43.404 -0.774 1
1 396 . 18 1 1 A 40 40 ASP N N 40 119.125 118.598 0.527 1
1 397 . 18 1 1 A 41 41 PRO HA H 41 4.552 4.404 0.148 1
1 404 . 18 1 1 A 41 41 PRO C C 41 177.331 177.774 -0.443 1
1 405 . 18 1 1 A 41 41 PRO CA C 41 64.019 64.106 -0.087 1
1 406 . 18 1 1 A 41 41 PRO CB C 41 32.235 31.818 0.417 1
1 409 . 18 1 1 A 42 42 ASN H H 42 8.484 8.738 -0.254 1
1 410 . 18 1 1 A 42 42 ASN HA H 42 4.703 4.558 0.145 1
1 415 . 18 1 1 A 42 42 ASN C C 42 174.879 176.520 -1.641 1
1 416 . 18 1 1 A 42 42 ASN CA C 42 53.371 56.251 -2.880 1
1 417 . 18 1 1 A 42 42 ASN CB C 42 39.009 38.642 0.367 1
1 418 . 18 1 1 A 42 42 ASN N N 42 116.107 116.535 -0.428 1
1 420 . 18 1 1 A 43 43 PHE H H 43 7.741 7.691 0.050 1
1 421 . 18 1 1 A 43 43 PHE HA H 43 4.448 4.515 -0.067 1
1 429 . 18 1 1 A 43 43 PHE CA C 43 58.640 59.722 -1.082 1
1 430 . 18 1 1 A 43 43 PHE CB C 43 40.203 39.632 0.571 1
1 436 . 18 1 1 A 43 43 PHE N N 43 121.284 119.476 1.808 1
1 437 . 18 1 1 A 44 44 VAL H H 44 7.718 8.284 -0.566 1
1 438 . 18 1 1 A 44 44 VAL HA H 44 4.221 4.828 -0.607 1
1 446 . 18 1 1 A 44 44 VAL C C 44 173.190 173.255 -0.065 1
1 447 . 18 1 1 A 44 44 VAL CA C 44 59.177 58.479 0.698 1
1 448 . 18 1 1 A 44 44 VAL CB C 44 33.260 34.753 -1.493 1
1 451 . 18 1 1 A 44 44 VAL N N 44 126.832 126.752 0.080 1
1 452 . 18 1 1 A 45 45 PRO HA H 45 4.114 4.813 -0.699 1
1 459 . 18 1 1 A 45 45 PRO C C 45 176.031 177.085 -1.054 1
1 460 . 18 1 1 A 45 45 PRO CA C 45 62.732 62.405 0.327 1
1 461 . 18 1 1 A 45 45 PRO CB C 45 32.197 31.916 0.281 1
1 464 . 18 1 1 A 46 46 ALA H H 46 8.199 8.371 -0.172 1
1 465 . 18 1 1 A 46 46 ALA HA H 46 4.161 4.459 -0.298 1
1 469 . 18 1 1 A 46 46 ALA C C 46 176.631 176.659 -0.028 1
1 470 . 18 1 1 A 46 46 ALA CA C 46 52.105 52.308 -0.203 1
1 471 . 18 1 1 A 46 46 ALA CB C 46 19.315 19.565 -0.250 1
1 472 . 18 1 1 A 46 46 ALA N N 46 124.122 125.897 -1.775 1
1 473 . 18 1 1 A 47 47 ALA H H 47 7.755 8.578 -0.823 1
1 474 . 18 1 1 A 47 47 ALA HA H 47 4.218 5.134 -0.916 1
1 478 . 18 1 1 A 47 47 ALA C C 47 176.322 175.612 0.710 1
1 479 . 18 1 1 A 47 47 ALA CA C 47 52.140 50.494 1.646 1
1 480 . 18 1 1 A 47 47 ALA CB C 47 20.283 20.178 0.105 1
1 481 . 18 1 1 A 47 47 ALA N N 47 121.689 126.864 -5.175 1
1 482 . 18 1 1 A 48 48 PHE H H 48 8.323 9.146 -0.823 1
1 483 . 18 1 1 A 48 48 PHE HA H 48 4.782 5.126 -0.344 1
1 491 . 18 1 1 A 48 48 PHE C C 48 174.258 174.702 -0.444 1
1 492 . 18 1 1 A 48 48 PHE CA C 48 57.108 56.702 0.406 1
1 493 . 18 1 1 A 48 48 PHE CB C 48 40.615 40.589 0.026 1
1 499 . 18 1 1 A 48 48 PHE N N 48 118.583 123.042 -4.459 1
1 500 . 18 1 1 A 49 49 VAL H H 49 8.584 9.083 -0.499 1
1 501 . 18 1 1 A 49 49 VAL HA H 49 4.829 4.975 -0.146 1
1 509 . 18 1 1 A 49 49 VAL C C 49 175.667 175.830 -0.163 1
1 510 . 18 1 1 A 49 49 VAL CA C 49 60.508 61.623 -1.115 1
1 511 . 18 1 1 A 49 49 VAL CB C 49 35.158 33.102 2.056 1
1 514 . 18 1 1 A 49 49 VAL N N 49 123.555 124.564 -1.009 1
1 515 . 18 1 1 A 50 50 CYS H H 50 9.170 8.959 0.211 1
1 516 . 18 1 1 A 50 50 CYS HA H 50 4.593 4.562 0.031 1
1 519 . 18 1 1 A 50 50 CYS C C 50 177.661 174.668 2.993 1
1 520 . 18 1 1 A 50 50 CYS CA C 50 59.909 59.340 0.569 1
1 521 . 18 1 1 A 50 50 CYS CB C 50 30.835 28.823 2.012 1
1 522 . 18 1 1 A 50 50 CYS N N 50 128.866 127.556 1.310 1
1 523 . 18 1 1 A 51 51 SER H H 51 9.205 8.865 0.340 1
1 524 . 18 1 1 A 51 51 SER HA H 51 4.271 4.684 -0.413 1
1 527 . 18 1 1 A 51 51 SER C C 51 174.401 175.512 -1.111 1
1 528 . 18 1 1 A 51 51 SER CA C 51 60.890 58.450 2.440 1
1 529 . 18 1 1 A 51 51 SER CB C 51 63.231 65.621 -2.390 1
1 530 . 18 1 1 A 51 51 SER N N 51 128.162 119.852 8.310 1
1 531 . 18 1 1 A 52 52 LYS H H 52 9.118 7.947 1.171 1
1 532 . 18 1 1 A 52 52 LYS HA H 52 4.421 4.275 0.146 1
1 541 . 18 1 1 A 52 52 LYS C C 52 177.831 178.010 -0.179 1
1 542 . 18 1 1 A 52 52 LYS CA C 52 58.535 58.264 0.271 1
1 543 . 18 1 1 A 52 52 LYS CB C 52 34.152 33.340 0.812 1
1 547 . 18 1 1 A 52 52 LYS N N 52 123.970 119.089 4.881 1
1 548 . 18 1 1 A 53 53 CYS H H 53 8.241 8.081 0.160 1
1 549 . 18 1 1 A 53 53 CYS HA H 53 4.999 4.703 0.296 1
1 552 . 18 1 1 A 53 53 CYS C C 53 176.529 175.592 0.937 1
1 553 . 18 1 1 A 53 53 CYS CA C 53 58.587 59.713 -1.126 1
1 554 . 18 1 1 A 53 53 CYS CB C 53 33.353 29.796 3.557 1
1 555 . 18 1 1 A 53 53 CYS N N 53 115.684 114.753 0.931 1
1 556 . 18 1 1 A 54 54 GLY H H 54 8.290 8.113 0.177 1
1 557 . 18 1 1 A 54 54 GLY HA2 H 54 4.226 4.092 0.134 1
1 558 . 18 1 1 A 54 54 GLY HA3 H 54 3.733 4.117 -0.384 1
1 559 . 18 1 1 A 54 54 GLY C C 54 173.761 174.735 -0.974 1
1 560 . 18 1 1 A 54 54 GLY CA C 54 46.147 45.130 1.017 1
1 561 . 18 1 1 A 54 54 GLY N N 54 113.723 110.140 3.583 1
1 562 . 18 1 1 A 55 55 LYS H H 55 8.598 7.388 1.210 1
1 563 . 18 1 1 A 55 55 LYS HA H 55 4.074 4.373 -0.299 1
1 572 . 18 1 1 A 55 55 LYS C C 55 174.748 175.922 -1.174 1
1 573 . 18 1 1 A 55 55 LYS CA C 55 58.270 56.436 1.834 1
1 574 . 18 1 1 A 55 55 LYS CB C 55 33.778 34.367 -0.589 1
1 578 . 18 1 1 A 55 55 LYS N N 55 124.175 120.043 4.132 1
1 579 . 18 1 1 A 56 56 THR H H 56 7.708 8.368 -0.660 1
1 580 . 18 1 1 A 56 56 THR HA H 56 5.028 5.421 -0.393 1
1 585 . 18 1 1 A 56 56 THR C C 56 173.673 173.399 0.274 1
1 586 . 18 1 1 A 56 56 THR CA C 56 60.779 59.389 1.390 1
1 587 . 18 1 1 A 56 56 THR CB C 56 70.823 71.400 -0.577 1
1 589 . 18 1 1 A 56 56 THR N N 56 113.091 111.725 1.366 1
1 590 . 18 1 1 A 57 57 PHE H H 57 8.944 8.750 0.194 1
1 591 . 18 1 1 A 57 57 PHE HA H 57 4.850 4.979 -0.129 1
1 599 . 18 1 1 A 57 57 PHE C C 57 175.764 175.071 0.693 1
1 600 . 18 1 1 A 57 57 PHE CA C 57 56.949 56.652 0.297 1
1 601 . 18 1 1 A 57 57 PHE CB C 57 43.729 42.458 1.271 1
1 607 . 18 1 1 A 57 57 PHE N N 57 119.958 119.695 0.263 1
1 608 . 18 1 1 A 58 58 THR HA H 58 4.629 4.823 -0.194 1
1 613 . 18 1 1 A 58 58 THR CA C 58 62.738 63.011 -0.273 1
1 614 . 18 1 1 A 58 58 THR CB C 58 69.810 69.264 0.546 1
1 616 . 18 1 1 A 59 59 ARG H H 59 7.422 7.566 -0.144 1
1 617 . 18 1 1 A 59 59 ARG HA H 59 4.740 4.443 0.297 1
1 624 . 18 1 1 A 59 59 ARG CA C 59 54.724 54.678 0.046 1
1 625 . 18 1 1 A 59 59 ARG CB C 59 33.659 32.997 0.662 1
1 628 . 18 1 1 A 59 59 ARG N N 59 118.359 118.483 -0.124 1
1 629 . 18 1 1 A 60 60 ARG HA H 60 2.949 3.229 -0.280 1
1 636 . 18 1 1 A 60 60 ARG CA C 60 59.468 59.411 0.057 1
1 637 . 18 1 1 A 60 60 ARG CB C 60 29.732 29.592 0.140 1
1 640 . 18 1 1 A 61 61 ASN HA H 61 4.332 4.357 -0.025 1
1 645 . 18 1 1 A 61 61 ASN C C 61 177.497 177.740 -0.243 1
1 646 . 18 1 1 A 61 61 ASN CA C 61 56.212 56.308 -0.096 1
1 647 . 18 1 1 A 61 61 ASN CB C 61 37.142 38.435 -1.293 1
1 649 . 18 1 1 A 62 62 THR H H 62 7.076 8.098 -1.022 1
1 650 . 18 1 1 A 62 62 THR HA H 62 3.893 3.775 0.118 1
1 655 . 18 1 1 A 62 62 THR C C 62 176.684 175.774 0.910 1
1 656 . 18 1 1 A 62 62 THR CA C 62 65.025 67.221 -2.196 1
1 657 . 18 1 1 A 62 62 THR CB C 62 68.112 68.538 -0.426 1
1 659 . 18 1 1 A 62 62 THR N N 62 115.050 114.844 0.206 1
1 660 . 18 1 1 A 63 63 MET H H 63 7.149 8.101 -0.952 1
1 661 . 18 1 1 A 63 63 MET HA H 63 2.545 3.090 -0.545 1
1 669 . 18 1 1 A 63 63 MET C C 63 176.978 177.766 -0.788 1
1 670 . 18 1 1 A 63 63 MET CA C 63 58.791 58.542 0.249 1
1 671 . 18 1 1 A 63 63 MET CB C 63 31.556 31.651 -0.095 1
1 674 . 18 1 1 A 63 63 MET N N 63 122.700 119.626 3.074 1
1 675 . 18 1 1 A 64 64 ALA H H 64 8.383 8.517 -0.134 1
1 676 . 18 1 1 A 64 64 ALA HA H 64 3.944 3.971 -0.027 1
1 680 . 18 1 1 A 64 64 ALA C C 64 179.879 179.936 -0.057 1
1 681 . 18 1 1 A 64 64 ALA CA C 64 55.324 55.292 0.032 1
1 682 . 18 1 1 A 64 64 ALA CB C 64 18.033 18.449 -0.416 1
1 683 . 18 1 1 A 64 64 ALA N N 64 122.001 121.107 0.894 1
1 684 . 18 1 1 A 65 65 ARG H H 65 7.574 7.758 -0.184 1
1 685 . 18 1 1 A 65 65 ARG HA H 65 4.139 3.961 0.178 1
1 692 . 18 1 1 A 65 65 ARG C C 65 178.946 178.620 0.326 1
1 693 . 18 1 1 A 65 65 ARG CA C 65 58.182 59.379 -1.197 1
1 694 . 18 1 1 A 65 65 ARG CB C 65 30.153 29.858 0.295 1
1 697 . 18 1 1 A 65 65 ARG N N 65 116.551 117.616 -1.065 1
1 698 . 18 1 1 A 66 66 HIS H H 66 7.455 8.181 -0.726 1
1 699 . 18 1 1 A 66 66 HIS HA H 66 4.271 4.443 -0.172 1
1 704 . 18 1 1 A 66 66 HIS C C 66 177.633 176.383 1.250 1
1 705 . 18 1 1 A 66 66 HIS CA C 66 59.046 59.804 -0.758 1
1 706 . 18 1 1 A 66 66 HIS CB C 66 27.820 29.423 -1.603 1
1 709 . 18 1 1 A 66 66 HIS N N 66 118.483 119.526 -1.043 1
1 710 . 18 1 1 A 67 67 ALA H H 67 8.869 8.055 0.814 1
1 711 . 18 1 1 A 67 67 ALA HA H 67 3.968 3.651 0.317 1
1 715 . 18 1 1 A 67 67 ALA C C 67 179.374 179.477 -0.103 1
1 716 . 18 1 1 A 67 67 ALA CA C 67 55.186 55.076 0.110 1
1 717 . 18 1 1 A 67 67 ALA CB C 67 18.851 18.234 0.617 1
1 718 . 18 1 1 A 67 67 ALA N N 67 122.114 120.520 1.594 1
1 719 . 18 1 1 A 68 68 ASP H H 68 7.476 7.697 -0.221 1
1 720 . 18 1 1 A 68 68 ASP HA H 68 4.401 4.236 0.165 1
1 723 . 18 1 1 A 68 68 ASP C C 68 176.580 177.693 -1.113 1
1 724 . 18 1 1 A 68 68 ASP CA C 68 56.772 57.683 -0.911 1
1 725 . 18 1 1 A 68 68 ASP CB C 68 40.945 39.982 0.963 1
1 726 . 18 1 1 A 68 68 ASP N N 68 116.466 119.605 -3.139 1
1 727 . 18 1 1 A 69 69 ASN H H 69 7.227 7.878 -0.651 1
1 728 . 18 1 1 A 69 69 ASN HA H 69 4.905 4.701 0.204 1
1 733 . 18 1 1 A 69 69 ASN C C 69 173.603 175.237 -1.634 1
1 734 . 18 1 1 A 69 69 ASN CA C 69 52.518 53.136 -0.618 1
1 735 . 18 1 1 A 69 69 ASN CB C 69 40.657 37.667 2.990 1
1 736 . 18 1 1 A 69 69 ASN N N 69 114.158 113.016 1.142 1
1 738 . 18 1 1 A 70 70 CYS H H 70 7.201 7.397 -0.196 1
1 739 . 18 1 1 A 70 70 CYS HA H 70 3.902 4.301 -0.399 1
1 742 . 18 1 1 A 70 70 CYS C C 70 175.424 174.130 1.294 1
1 743 . 18 1 1 A 70 70 CYS CA C 70 61.195 58.940 2.255 1
1 744 . 18 1 1 A 70 70 CYS CB C 70 29.288 28.572 0.716 1
1 745 . 18 1 1 A 70 70 CYS N N 70 124.154 120.034 4.120 1
1 746 . 18 1 1 A 71 71 ALA H H 71 8.783 8.783 0.000 1
1 747 . 18 1 1 A 71 71 ALA HA H 71 4.562 4.377 0.185 1
1 751 . 18 1 1 A 71 71 ALA C C 71 177.513 177.086 0.427 1
1 752 . 18 1 1 A 71 71 ALA CA C 71 51.926 53.269 -1.343 1
1 753 . 18 1 1 A 71 71 ALA CB C 71 19.698 20.567 -0.869 1
1 754 . 18 1 1 A 71 71 ALA N N 71 131.493 126.213 5.280 1
1 755 . 18 1 1 A 72 72 GLY H H 72 8.645 7.287 1.358 1
1 756 . 18 1 1 A 72 72 GLY HA2 H 72 4.469 4.084 0.385 1
1 757 . 18 1 1 A 72 72 GLY HA3 H 72 3.628 4.088 -0.460 1
1 758 . 18 1 1 A 72 72 GLY C C 72 171.320 171.128 0.192 1
1 759 . 18 1 1 A 72 72 GLY CA C 72 44.286 45.001 -0.715 1
1 760 . 18 1 1 A 72 72 GLY N N 72 110.083 102.315 7.768 1
1 761 . 18 1 1 A 73 73 PRO HA H 73 4.470 4.740 -0.270 1
1 768 . 18 1 1 A 73 73 PRO C C 73 176.905 177.403 -0.498 1
1 769 . 18 1 1 A 73 73 PRO CA C 73 63.706 62.776 0.930 1
1 770 . 18 1 1 A 73 73 PRO CB C 73 32.344 32.158 0.186 1
1 773 . 18 1 1 A 74 74 ASP H H 74 8.506 8.495 0.011 1
1 774 . 18 1 1 A 74 74 ASP HA H 74 4.659 4.409 0.250 1
1 777 . 18 1 1 A 74 74 ASP C C 74 176.869 176.652 0.217 1
1 778 . 18 1 1 A 74 74 ASP CA C 74 54.617 55.856 -1.239 1
1 779 . 18 1 1 A 74 74 ASP CB C 74 41.335 41.165 0.170 1
1 780 . 18 1 1 A 74 74 ASP N N 74 120.155 123.352 -3.197 1
1 781 . 18 1 1 A 75 75 GLY H H 75 8.257 7.871 0.386 1
1 782 . 18 1 1 A 75 75 GLY HA2 H 75 4.072 4.019 0.053 1
1 783 . 18 1 1 A 75 75 GLY HA3 H 75 3.965 4.019 -0.054 1
1 784 . 18 1 1 A 75 75 GLY C C 75 174.256 174.406 -0.150 1
1 785 . 18 1 1 A 75 75 GLY CA C 75 45.653 46.220 -0.567 1
1 786 . 18 1 1 A 75 75 GLY N N 75 108.913 107.852 1.061 1
1 787 . 18 1 1 A 76 76 VAL H H 76 8.079 8.019 0.060 1
1 788 . 18 1 1 A 76 76 VAL HA H 76 4.169 4.259 -0.090 1
1 796 . 18 1 1 A 76 76 VAL C C 76 176.347 175.690 0.657 1
1 797 . 18 1 1 A 76 76 VAL CA C 76 62.295 63.591 -1.296 1
1 798 . 18 1 1 A 76 76 VAL CB C 76 32.871 34.263 -1.392 1
1 801 . 18 1 1 A 76 76 VAL N N 76 119.508 116.617 2.891 1
1 802 . 18 1 1 A 77 77 GLU H H 77 8.619 7.862 0.757 1
1 803 . 18 1 1 A 77 77 GLU HA H 77 4.310 4.283 0.027 1
1 808 . 18 1 1 A 77 77 GLU C C 77 177.046 177.355 -0.309 1
1 809 . 18 1 1 A 77 77 GLU CA C 77 56.966 57.425 -0.459 1
1 810 . 18 1 1 A 77 77 GLU CB C 77 30.318 30.113 0.205 1
1 812 . 18 1 1 A 77 77 GLU N N 77 125.001 120.972 4.029 1
1 813 . 18 1 1 A 78 78 GLY H H 78 8.446 8.601 -0.155 1
1 814 . 18 1 1 A 78 78 GLY HA2 H 78 3.987 3.930 0.057 1
1 815 . 18 1 1 A 78 78 GLY HA3 H 78 3.987 3.931 0.056 1
1 816 . 18 1 1 A 78 78 GLY C C 78 174.238 174.546 -0.308 1
1 817 . 18 1 1 A 78 78 GLY CA C 78 45.283 46.655 -1.372 1
1 818 . 18 1 1 A 78 78 GLY N N 78 110.357 112.058 -1.701 1
1 819 . 18 1 1 A 79 79 GLU H H 79 8.313 7.964 0.349 1
1 820 . 18 1 1 A 79 79 GLU HA H 79 4.309 5.014 -0.705 1
1 825 . 18 1 1 A 79 79 GLU C C 79 176.509 174.160 2.349 1
1 826 . 18 1 1 A 79 79 GLU CA C 79 56.755 54.532 2.223 1
1 827 . 18 1 1 A 79 79 GLU CB C 79 30.317 33.487 -3.170 1
1 829 . 18 1 1 A 79 79 GLU N N 79 120.638 116.371 4.267 1
1 830 . 18 1 1 A 80 80 ASN H H 80 8.588 8.957 -0.369 1
1 831 . 18 1 1 A 80 80 ASN HA H 80 4.801 5.434 -0.633 1
1 834 . 18 1 1 A 80 80 ASN C C 80 175.202 174.967 0.235 1
1 835 . 18 1 1 A 80 80 ASN CA C 80 53.336 51.660 1.676 1
1 836 . 18 1 1 A 80 80 ASN CB C 80 39.051 42.055 -3.004 1
1 837 . 18 1 1 A 80 80 ASN N N 80 119.808 121.301 -1.493 1
1 838 . 18 1 1 A 81 81 SER H H 81 8.322 8.637 -0.315 1
1 839 . 18 1 1 A 81 81 SER HA H 81 4.517 4.477 0.040 1
1 842 . 18 1 1 A 81 81 SER C C 81 174.643 174.226 0.417 1
1 843 . 18 1 1 A 81 81 SER CA C 81 58.499 58.476 0.023 1
1 844 . 18 1 1 A 81 81 SER CB C 81 64.056 63.756 0.300 1
1 845 . 18 1 1 A 81 81 SER N N 81 116.318 118.383 -2.065 1
1 846 . 18 1 1 A 82 82 GLY H H 82 8.303 8.269 0.034 1
1 847 . 18 1 1 A 82 82 GLY HA2 H 82 4.170 4.159 0.011 1
1 848 . 18 1 1 A 82 82 GLY HA3 H 82 4.125 4.160 -0.035 1
1 849 . 18 1 1 A 82 82 GLY C C 82 171.855 174.165 -2.310 1
1 850 . 18 1 1 A 82 82 GLY CA C 82 44.719 45.687 -0.968 1
1 851 . 18 1 1 A 82 82 GLY N N 82 110.706 108.502 2.204 1
1 852 . 18 1 1 A 83 83 PRO HA H 83 4.498 4.365 0.133 1
1 859 . 18 1 1 A 83 83 PRO C C 83 177.459 176.763 0.696 1
1 860 . 18 1 1 A 83 83 PRO CA C 83 63.274 64.924 -1.650 1
1 861 . 18 1 1 A 83 83 PRO CB C 83 32.254 32.178 0.076 1
1 864 . 18 1 1 A 84 84 SER H H 84 8.541 7.925 0.616 1
1 865 . 18 1 1 A 84 84 SER HA H 84 4.508 4.620 -0.112 1
1 868 . 18 1 1 A 84 84 SER C C 84 174.744 174.512 0.232 1
1 869 . 18 1 1 A 84 84 SER CA C 84 58.412 56.923 1.489 1
1 870 . 18 1 1 A 84 84 SER CB C 84 64.056 63.551 0.505 1
1 871 . 18 1 1 A 84 84 SER N N 84 116.449 112.830 3.619 1
1 872 . 18 1 1 A 85 85 SER H H 85 8.353 8.796 -0.443 1
1 873 . 18 1 1 A 85 85 SER HA H 85 4.517 4.032 0.485 1
1 876 . 18 1 1 A 85 85 SER C C 85 173.953 174.917 -0.964 1
1 877 . 18 1 1 A 85 85 SER CA C 85 58.492 61.358 -2.866 1
1 878 . 18 1 1 A 85 85 SER CB C 85 64.138 63.075 1.063 1
1 879 . 18 1 1 A 85 85 SER N N 85 117.940 123.520 -5.580 1
1 1 . 19 1 1 A 8 8 ARG HA H 8 4.432 4.779 -0.347 1
1 7 . 19 1 1 A 8 8 ARG CA C 8 56.069 54.935 1.134 1
1 8 . 19 1 1 A 8 8 ARG CB C 8 30.974 31.038 -0.064 1
1 14 . 19 1 1 A 9 9 THR CB C 9 69.816 68.719 1.097 1
1 16 . 19 1 1 A 10 10 HIS HA H 10 4.730 5.167 -0.437 1
1 21 . 19 1 1 A 10 10 HIS CA C 10 56.345 54.541 1.804 1
1 22 . 19 1 1 A 10 10 HIS CB C 10 31.058 31.479 -0.421 1
1 28 . 19 1 1 A 11 11 THR CB C 11 69.816 70.980 -1.164 1
1 30 . 19 1 1 A 12 12 GLY HA2 H 12 3.978 4.109 -0.131 1
1 31 . 19 1 1 A 12 12 GLY HA3 H 12 3.978 4.121 -0.143 1
1 32 . 19 1 1 A 12 12 GLY CA C 12 45.442 44.106 1.336 1
1 33 . 19 1 1 A 13 13 GLU H H 13 8.243 8.342 -0.099 1
1 34 . 19 1 1 A 13 13 GLU HA H 13 4.235 4.953 -0.718 1
1 39 . 19 1 1 A 13 13 GLU CA C 13 56.898 55.123 1.775 1
1 40 . 19 1 1 A 13 13 GLU CB C 13 30.495 32.271 -1.776 1
1 42 . 19 1 1 A 13 13 GLU N N 13 120.364 119.770 0.594 1
1 43 . 19 1 1 A 14 14 LYS H H 14 8.276 8.528 -0.252 1
1 44 . 19 1 1 A 14 14 LYS HA H 14 4.528 5.018 -0.490 1
1 53 . 19 1 1 A 14 14 LYS CA C 14 54.009 52.586 1.423 1
1 54 . 19 1 1 A 14 14 LYS CB C 14 32.667 33.431 -0.764 1
1 58 . 19 1 1 A 14 14 LYS N N 14 121.981 121.122 0.859 1
1 59 . 19 1 1 A 15 15 PRO HA H 15 4.347 4.363 -0.016 1
1 66 . 19 1 1 A 15 15 PRO CA C 15 63.237 64.912 -1.675 1
1 67 . 19 1 1 A 15 15 PRO CB C 15 32.365 31.741 0.624 1
1 70 . 19 1 1 A 16 16 TYR H H 16 8.234 7.461 0.773 1
1 71 . 19 1 1 A 16 16 TYR HA H 16 4.508 4.710 -0.202 1
1 78 . 19 1 1 A 16 16 TYR C C 16 174.453 174.759 -0.306 1
1 79 . 19 1 1 A 16 16 TYR CA C 16 58.076 57.384 0.692 1
1 80 . 19 1 1 A 16 16 TYR CB C 16 38.346 37.868 0.478 1
1 85 . 19 1 1 A 16 16 TYR N N 16 118.751 117.899 0.852 1
1 86 . 19 1 1 A 17 17 ALA H H 17 8.567 9.089 -0.522 1
1 87 . 19 1 1 A 17 17 ALA HA H 17 4.754 5.282 -0.528 1
1 91 . 19 1 1 A 17 17 ALA C C 17 176.249 176.701 -0.452 1
1 92 . 19 1 1 A 17 17 ALA CA C 17 51.274 50.541 0.733 1
1 93 . 19 1 1 A 17 17 ALA CB C 17 20.625 21.064 -0.439 1
1 94 . 19 1 1 A 17 17 ALA N N 17 127.897 128.074 -0.177 1
1 95 . 19 1 1 A 18 18 CYS H H 18 8.464 9.285 -0.821 1
1 96 . 19 1 1 A 18 18 CYS HA H 18 4.538 4.463 0.075 1
1 99 . 19 1 1 A 18 18 CYS C C 18 175.739 175.417 0.322 1
1 100 . 19 1 1 A 18 18 CYS CA C 18 60.966 60.298 0.668 1
1 101 . 19 1 1 A 18 18 CYS CB C 18 29.435 28.661 0.774 1
1 102 . 19 1 1 A 18 18 CYS N N 18 125.366 123.346 2.020 1
1 103 . 19 1 1 A 19 19 SER H H 19 8.439 9.155 -0.716 1
1 104 . 19 1 1 A 19 19 SER HA H 19 4.426 4.498 -0.072 1
1 107 . 19 1 1 A 19 19 SER C C 19 175.890 176.844 -0.954 1
1 108 . 19 1 1 A 19 19 SER CA C 19 60.085 61.854 -1.769 1
1 109 . 19 1 1 A 19 19 SER CB C 19 64.097 63.618 0.479 1
1 110 . 19 1 1 A 19 19 SER N N 19 121.912 122.347 -0.435 1
1 111 . 19 1 1 A 20 20 HIS H H 20 9.949 8.201 1.748 1
1 112 . 19 1 1 A 20 20 HIS HA H 20 4.579 4.419 0.160 1
1 117 . 19 1 1 A 20 20 HIS C C 20 174.670 175.581 -0.911 1
1 118 . 19 1 1 A 20 20 HIS CA C 20 57.354 59.110 -1.756 1
1 119 . 19 1 1 A 20 20 HIS CB C 20 30.787 29.249 1.538 1
1 122 . 19 1 1 A 20 20 HIS N N 20 126.154 119.073 7.081 1
1 123 . 19 1 1 A 21 21 CYS H H 21 7.972 8.083 -0.111 1
1 124 . 19 1 1 A 21 21 CYS HA H 21 4.947 4.922 0.025 1
1 127 . 19 1 1 A 21 21 CYS C C 21 172.879 173.665 -0.786 1
1 128 . 19 1 1 A 21 21 CYS CA C 21 58.891 56.655 2.236 1
1 129 . 19 1 1 A 21 21 CYS CB C 21 29.766 30.839 -1.073 1
1 130 . 19 1 1 A 21 21 CYS N N 21 119.638 114.940 4.698 1
1 131 . 19 1 1 A 22 22 ASP H H 22 8.167 8.693 -0.526 1
1 132 . 19 1 1 A 22 22 ASP HA H 22 4.668 4.838 -0.170 1
1 135 . 19 1 1 A 22 22 ASP C C 22 176.857 174.902 1.955 1
1 136 . 19 1 1 A 22 22 ASP CA C 22 54.587 52.968 1.619 1
1 137 . 19 1 1 A 22 22 ASP CB C 22 40.758 39.886 0.872 1
1 138 . 19 1 1 A 22 22 ASP N N 22 115.180 121.809 -6.629 1
1 139 . 19 1 1 A 23 23 LYS H H 23 8.407 7.600 0.807 1
1 140 . 19 1 1 A 23 23 LYS HA H 23 4.085 4.742 -0.657 1
1 148 . 19 1 1 A 23 23 LYS C C 23 175.732 175.890 -0.158 1
1 149 . 19 1 1 A 23 23 LYS CA C 23 57.537 54.704 2.833 1
1 150 . 19 1 1 A 23 23 LYS CB C 23 33.593 35.182 -1.589 1
1 154 . 19 1 1 A 23 23 LYS N N 23 122.302 121.314 0.988 1
1 155 . 19 1 1 A 24 24 THR H H 24 7.462 8.479 -1.017 1
1 156 . 19 1 1 A 24 24 THR HA H 24 5.018 5.520 -0.502 1
1 161 . 19 1 1 A 24 24 THR C C 24 173.047 172.821 0.226 1
1 162 . 19 1 1 A 24 24 THR CA C 24 59.500 58.814 0.686 1
1 163 . 19 1 1 A 24 24 THR CB C 24 71.795 72.139 -0.344 1
1 165 . 19 1 1 A 24 24 THR N N 24 110.405 111.938 -1.533 1
1 166 . 19 1 1 A 25 25 PHE H H 25 8.750 8.737 0.013 1
1 167 . 19 1 1 A 25 25 PHE HA H 25 4.886 4.930 -0.044 1
1 175 . 19 1 1 A 25 25 PHE C C 25 175.982 175.404 0.578 1
1 176 . 19 1 1 A 25 25 PHE CA C 25 57.301 56.480 0.821 1
1 177 . 19 1 1 A 25 25 PHE CB C 25 44.782 43.404 1.378 1
1 183 . 19 1 1 A 25 25 PHE N N 25 116.161 117.716 -1.555 1
1 184 . 19 1 1 A 26 26 ARG HA H 26 4.550 4.336 0.214 1
1 191 . 19 1 1 A 26 26 ARG C C 26 175.820 175.691 0.129 1
1 192 . 19 1 1 A 26 26 ARG CA C 26 57.830 58.371 -0.541 1
1 193 . 19 1 1 A 26 26 ARG CB C 26 31.465 31.022 0.443 1
1 196 . 19 1 1 A 27 27 GLN H H 27 7.052 7.801 -0.749 1
1 197 . 19 1 1 A 27 27 GLN HA H 27 4.820 4.278 0.542 1
1 204 . 19 1 1 A 27 27 GLN C C 27 175.929 175.829 0.100 1
1 205 . 19 1 1 A 27 27 GLN CA C 27 53.971 54.728 -0.757 1
1 206 . 19 1 1 A 27 27 GLN CB C 27 32.968 30.122 2.846 1
1 208 . 19 1 1 A 27 27 GLN N N 27 111.833 118.069 -6.236 1
1 210 . 19 1 1 A 28 28 LYS H H 28 8.616 8.292 0.324 1
1 211 . 19 1 1 A 28 28 LYS HA H 28 3.013 3.341 -0.328 1
1 220 . 19 1 1 A 28 28 LYS C C 28 177.891 177.965 -0.074 1
1 221 . 19 1 1 A 28 28 LYS CA C 28 59.351 59.886 -0.535 1
1 222 . 19 1 1 A 28 28 LYS CB C 28 31.901 31.945 -0.044 1
1 226 . 19 1 1 A 28 28 LYS N N 28 127.969 125.227 2.742 1
1 227 . 19 1 1 A 29 29 GLN H H 29 9.039 7.779 1.260 1
1 228 . 19 1 1 A 29 29 GLN HA H 29 4.110 3.916 0.194 1
1 235 . 19 1 1 A 29 29 GLN C C 29 178.275 178.288 -0.013 1
1 236 . 19 1 1 A 29 29 GLN CA C 29 59.073 58.633 0.440 1
1 237 . 19 1 1 A 29 29 GLN CB C 29 27.673 28.323 -0.650 1
1 239 . 19 1 1 A 29 29 GLN N N 29 116.426 118.499 -2.073 1
1 241 . 19 1 1 A 30 30 LEU H H 30 6.687 8.022 -1.335 1
1 242 . 19 1 1 A 30 30 LEU HA H 30 4.105 3.856 0.249 1
1 252 . 19 1 1 A 30 30 LEU C C 30 179.455 178.868 0.587 1
1 253 . 19 1 1 A 30 30 LEU CA C 30 56.878 57.495 -0.617 1
1 254 . 19 1 1 A 30 30 LEU CB C 30 41.552 41.586 -0.034 1
1 258 . 19 1 1 A 30 30 LEU N N 30 116.469 119.630 -3.161 1
1 259 . 19 1 1 A 31 31 LEU H H 31 6.875 7.415 -0.540 1
1 260 . 19 1 1 A 31 31 LEU HA H 31 3.174 2.709 0.465 1
1 270 . 19 1 1 A 31 31 LEU C C 31 177.599 177.876 -0.277 1
1 271 . 19 1 1 A 31 31 LEU CA C 31 57.829 56.870 0.959 1
1 272 . 19 1 1 A 31 31 LEU CB C 31 39.945 40.886 -0.941 1
1 276 . 19 1 1 A 31 31 LEU N N 31 122.863 119.378 3.485 1
1 277 . 19 1 1 A 32 32 ASP H H 32 8.429 8.006 0.423 1
1 278 . 19 1 1 A 32 32 ASP HA H 32 4.356 4.230 0.126 1
1 281 . 19 1 1 A 32 32 ASP C C 32 179.142 177.913 1.229 1
1 282 . 19 1 1 A 32 32 ASP CA C 32 57.830 57.077 0.753 1
1 283 . 19 1 1 A 32 32 ASP CB C 32 39.978 40.968 -0.990 1
1 284 . 19 1 1 A 32 32 ASP N N 32 120.350 119.090 1.260 1
1 285 . 19 1 1 A 33 33 MET H H 33 7.738 8.269 -0.531 1
1 286 . 19 1 1 A 33 33 MET HA H 33 4.167 3.693 0.474 1
1 294 . 19 1 1 A 33 33 MET C C 33 178.463 178.184 0.279 1
1 295 . 19 1 1 A 33 33 MET CA C 33 58.454 57.803 0.651 1
1 296 . 19 1 1 A 33 33 MET CB C 33 32.924 32.017 0.907 1
1 299 . 19 1 1 A 33 33 MET N N 33 118.109 118.379 -0.270 1
1 300 . 19 1 1 A 34 34 HIS H H 34 7.632 8.025 -0.393 1
1 301 . 19 1 1 A 34 34 HIS HA H 34 4.396 4.274 0.122 1
1 306 . 19 1 1 A 34 34 HIS C C 34 176.258 176.657 -0.399 1
1 307 . 19 1 1 A 34 34 HIS CA C 34 59.715 59.037 0.678 1
1 308 . 19 1 1 A 34 34 HIS CB C 34 28.594 29.884 -1.290 1
1 311 . 19 1 1 A 34 34 HIS N N 34 120.242 120.954 -0.712 1
1 312 . 19 1 1 A 35 35 PHE H H 35 9.373 8.177 1.196 1
1 313 . 19 1 1 A 35 35 PHE HA H 35 3.726 3.938 -0.212 1
1 321 . 19 1 1 A 35 35 PHE C C 35 178.043 177.249 0.794 1
1 322 . 19 1 1 A 35 35 PHE CA C 35 62.870 61.196 1.674 1
1 323 . 19 1 1 A 35 35 PHE CB C 35 39.846 39.296 0.550 1
1 329 . 19 1 1 A 35 35 PHE N N 35 121.691 120.341 1.350 1
1 330 . 19 1 1 A 36 36 LYS H H 36 7.861 7.774 0.087 1
1 331 . 19 1 1 A 36 36 LYS HA H 36 4.139 4.446 -0.307 1
1 340 . 19 1 1 A 36 36 LYS C C 36 176.843 178.434 -1.591 1
1 341 . 19 1 1 A 36 36 LYS CA C 36 58.198 58.452 -0.254 1
1 342 . 19 1 1 A 36 36 LYS CB C 36 32.906 32.272 0.634 1
1 346 . 19 1 1 A 36 36 LYS N N 36 118.022 117.920 0.102 1
1 347 . 19 1 1 A 37 37 ARG H H 37 7.298 7.887 -0.589 1
1 348 . 19 1 1 A 37 37 ARG HA H 37 3.717 4.402 -0.685 1
1 355 . 19 1 1 A 37 37 ARG C C 37 177.872 178.350 -0.478 1
1 356 . 19 1 1 A 37 37 ARG CA C 37 57.874 58.222 -0.348 1
1 357 . 19 1 1 A 37 37 ARG CB C 37 30.619 30.950 -0.331 1
1 360 . 19 1 1 A 37 37 ARG N N 37 114.740 120.442 -5.702 1
1 361 . 19 1 1 A 38 38 TYR H H 38 7.779 8.357 -0.578 1
1 362 . 19 1 1 A 38 38 TYR HA H 38 4.146 4.148 -0.002 1
1 369 . 19 1 1 A 38 38 TYR C C 38 176.160 178.364 -2.204 1
1 370 . 19 1 1 A 38 38 TYR CA C 38 59.941 60.150 -0.209 1
1 371 . 19 1 1 A 38 38 TYR CB C 38 38.516 37.952 0.564 1
1 376 . 19 1 1 A 38 38 TYR N N 38 112.257 118.833 -6.576 1
1 377 . 19 1 1 A 39 39 HIS H H 39 7.679 7.685 -0.006 1
1 378 . 19 1 1 A 39 39 HIS HA H 39 4.943 4.378 0.565 1
1 383 . 19 1 1 A 39 39 HIS C C 39 173.845 175.211 -1.366 1
1 384 . 19 1 1 A 39 39 HIS CA C 39 54.045 58.390 -4.345 1
1 385 . 19 1 1 A 39 39 HIS CB C 39 29.490 29.012 0.478 1
1 388 . 19 1 1 A 39 39 HIS N N 39 114.679 116.961 -2.282 1
1 389 . 19 1 1 A 40 40 ASP H H 40 7.317 7.508 -0.191 1
1 390 . 19 1 1 A 40 40 ASP HA H 40 4.800 4.918 -0.118 1
1 393 . 19 1 1 A 40 40 ASP C C 40 175.035 174.891 0.144 1
1 394 . 19 1 1 A 40 40 ASP CA C 40 51.697 50.489 1.208 1
1 395 . 19 1 1 A 40 40 ASP CB C 40 42.630 43.189 -0.559 1
1 396 . 19 1 1 A 40 40 ASP N N 40 119.125 118.482 0.643 1
1 397 . 19 1 1 A 41 41 PRO HA H 41 4.552 4.386 0.166 1
1 404 . 19 1 1 A 41 41 PRO C C 41 177.331 177.517 -0.186 1
1 405 . 19 1 1 A 41 41 PRO CA C 41 64.019 64.054 -0.035 1
1 406 . 19 1 1 A 41 41 PRO CB C 41 32.235 31.825 0.410 1
1 409 . 19 1 1 A 42 42 ASN H H 42 8.484 8.578 -0.094 1
1 410 . 19 1 1 A 42 42 ASN HA H 42 4.703 4.550 0.153 1
1 415 . 19 1 1 A 42 42 ASN C C 42 174.879 176.492 -1.613 1
1 416 . 19 1 1 A 42 42 ASN CA C 42 53.371 56.339 -2.968 1
1 417 . 19 1 1 A 42 42 ASN CB C 42 39.009 38.917 0.092 1
1 418 . 19 1 1 A 42 42 ASN N N 42 116.107 116.700 -0.593 1
1 420 . 19 1 1 A 43 43 PHE H H 43 7.741 7.751 -0.010 1
1 421 . 19 1 1 A 43 43 PHE HA H 43 4.448 4.428 0.020 1
1 429 . 19 1 1 A 43 43 PHE CA C 43 58.640 59.610 -0.970 1
1 430 . 19 1 1 A 43 43 PHE CB C 43 40.203 39.922 0.281 1
1 436 . 19 1 1 A 43 43 PHE N N 43 121.284 118.629 2.655 1
1 437 . 19 1 1 A 44 44 VAL H H 44 7.718 8.019 -0.301 1
1 438 . 19 1 1 A 44 44 VAL HA H 44 4.221 4.692 -0.471 1
1 446 . 19 1 1 A 44 44 VAL C C 44 173.190 173.607 -0.417 1
1 447 . 19 1 1 A 44 44 VAL CA C 44 59.177 58.729 0.448 1
1 448 . 19 1 1 A 44 44 VAL CB C 44 33.260 34.513 -1.253 1
1 451 . 19 1 1 A 44 44 VAL N N 44 126.832 125.317 1.515 1
1 452 . 19 1 1 A 45 45 PRO HA H 45 4.114 4.631 -0.517 1
1 459 . 19 1 1 A 45 45 PRO C C 45 176.031 176.772 -0.741 1
1 460 . 19 1 1 A 45 45 PRO CA C 45 62.732 62.622 0.110 1
1 461 . 19 1 1 A 45 45 PRO CB C 45 32.197 32.504 -0.307 1
1 464 . 19 1 1 A 46 46 ALA H H 46 8.199 8.374 -0.175 1
1 465 . 19 1 1 A 46 46 ALA HA H 46 4.161 4.507 -0.346 1
1 469 . 19 1 1 A 46 46 ALA C C 46 176.631 176.596 0.035 1
1 470 . 19 1 1 A 46 46 ALA CA C 46 52.105 52.362 -0.257 1
1 471 . 19 1 1 A 46 46 ALA CB C 46 19.315 19.345 -0.030 1
1 472 . 19 1 1 A 46 46 ALA N N 46 124.122 124.696 -0.574 1
1 473 . 19 1 1 A 47 47 ALA H H 47 7.755 8.728 -0.973 1
1 474 . 19 1 1 A 47 47 ALA HA H 47 4.218 5.155 -0.937 1
1 478 . 19 1 1 A 47 47 ALA C C 47 176.322 175.531 0.791 1
1 479 . 19 1 1 A 47 47 ALA CA C 47 52.140 50.596 1.544 1
1 480 . 19 1 1 A 47 47 ALA CB C 47 20.283 20.286 -0.003 1
1 481 . 19 1 1 A 47 47 ALA N N 47 121.689 127.045 -5.356 1
1 482 . 19 1 1 A 48 48 PHE H H 48 8.323 9.114 -0.791 1
1 483 . 19 1 1 A 48 48 PHE HA H 48 4.782 5.280 -0.498 1
1 491 . 19 1 1 A 48 48 PHE C C 48 174.258 174.960 -0.702 1
1 492 . 19 1 1 A 48 48 PHE CA C 48 57.108 56.690 0.418 1
1 493 . 19 1 1 A 48 48 PHE CB C 48 40.615 42.931 -2.316 1
1 499 . 19 1 1 A 48 48 PHE N N 48 118.583 121.812 -3.229 1
1 500 . 19 1 1 A 49 49 VAL H H 49 8.584 9.283 -0.699 1
1 501 . 19 1 1 A 49 49 VAL HA H 49 4.829 5.172 -0.343 1
1 509 . 19 1 1 A 49 49 VAL C C 49 175.667 175.198 0.469 1
1 510 . 19 1 1 A 49 49 VAL CA C 49 60.508 60.370 0.138 1
1 511 . 19 1 1 A 49 49 VAL CB C 49 35.158 35.267 -0.109 1
1 514 . 19 1 1 A 49 49 VAL N N 49 123.555 121.133 2.422 1
1 515 . 19 1 1 A 50 50 CYS H H 50 9.170 9.303 -0.133 1
1 516 . 19 1 1 A 50 50 CYS HA H 50 4.593 4.583 0.010 1
1 519 . 19 1 1 A 50 50 CYS C C 50 177.661 175.460 2.201 1
1 520 . 19 1 1 A 50 50 CYS CA C 50 59.909 59.932 -0.023 1
1 521 . 19 1 1 A 50 50 CYS CB C 50 30.835 28.463 2.372 1
1 522 . 19 1 1 A 50 50 CYS N N 50 128.866 127.583 1.283 1
1 523 . 19 1 1 A 51 51 SER H H 51 9.205 8.929 0.276 1
1 524 . 19 1 1 A 51 51 SER HA H 51 4.271 4.621 -0.350 1
1 527 . 19 1 1 A 51 51 SER C C 51 174.401 175.289 -0.888 1
1 528 . 19 1 1 A 51 51 SER CA C 51 60.890 59.110 1.780 1
1 529 . 19 1 1 A 51 51 SER CB C 51 63.231 63.885 -0.654 1
1 530 . 19 1 1 A 51 51 SER N N 51 128.162 122.483 5.679 1
1 531 . 19 1 1 A 52 52 LYS H H 52 9.118 7.695 1.423 1
1 532 . 19 1 1 A 52 52 LYS HA H 52 4.421 4.230 0.191 1
1 541 . 19 1 1 A 52 52 LYS C C 52 177.831 178.096 -0.265 1
1 542 . 19 1 1 A 52 52 LYS CA C 52 58.535 58.685 -0.150 1
1 543 . 19 1 1 A 52 52 LYS CB C 52 34.152 33.217 0.935 1
1 547 . 19 1 1 A 52 52 LYS N N 52 123.970 120.861 3.109 1
1 548 . 19 1 1 A 53 53 CYS H H 53 8.241 8.170 0.071 1
1 549 . 19 1 1 A 53 53 CYS HA H 53 4.999 4.612 0.387 1
1 552 . 19 1 1 A 53 53 CYS C C 53 176.529 175.393 1.136 1
1 553 . 19 1 1 A 53 53 CYS CA C 53 58.587 59.661 -1.074 1
1 554 . 19 1 1 A 53 53 CYS CB C 53 33.353 29.544 3.809 1
1 555 . 19 1 1 A 53 53 CYS N N 53 115.684 114.122 1.562 1
1 556 . 19 1 1 A 54 54 GLY H H 54 8.290 8.180 0.110 1
1 557 . 19 1 1 A 54 54 GLY HA2 H 54 4.226 4.082 0.144 1
1 558 . 19 1 1 A 54 54 GLY HA3 H 54 3.733 4.099 -0.366 1
1 559 . 19 1 1 A 54 54 GLY C C 54 173.761 174.494 -0.733 1
1 560 . 19 1 1 A 54 54 GLY CA C 54 46.147 45.370 0.777 1
1 561 . 19 1 1 A 54 54 GLY N N 54 113.723 110.327 3.396 1
1 562 . 19 1 1 A 55 55 LYS H H 55 8.598 7.949 0.649 1
1 563 . 19 1 1 A 55 55 LYS HA H 55 4.074 4.666 -0.592 1
1 572 . 19 1 1 A 55 55 LYS C C 55 174.748 175.906 -1.158 1
1 573 . 19 1 1 A 55 55 LYS CA C 55 58.270 55.217 3.053 1
1 574 . 19 1 1 A 55 55 LYS CB C 55 33.778 34.411 -0.633 1
1 578 . 19 1 1 A 55 55 LYS N N 55 124.175 119.197 4.978 1
1 579 . 19 1 1 A 56 56 THR H H 56 7.708 8.672 -0.964 1
1 580 . 19 1 1 A 56 56 THR HA H 56 5.028 5.534 -0.506 1
1 585 . 19 1 1 A 56 56 THR C C 56 173.673 173.724 -0.051 1
1 586 . 19 1 1 A 56 56 THR CA C 56 60.779 59.892 0.887 1
1 587 . 19 1 1 A 56 56 THR CB C 56 70.823 70.895 -0.072 1
1 589 . 19 1 1 A 56 56 THR N N 56 113.091 111.863 1.228 1
1 590 . 19 1 1 A 57 57 PHE H H 57 8.944 9.361 -0.417 1
1 591 . 19 1 1 A 57 57 PHE HA H 57 4.850 4.976 -0.126 1
1 599 . 19 1 1 A 57 57 PHE C C 57 175.764 176.028 -0.264 1
1 600 . 19 1 1 A 57 57 PHE CA C 57 56.949 56.564 0.385 1
1 601 . 19 1 1 A 57 57 PHE CB C 57 43.729 41.135 2.594 1
1 607 . 19 1 1 A 57 57 PHE N N 57 119.958 119.924 0.034 1
1 608 . 19 1 1 A 58 58 THR HA H 58 4.629 4.185 0.444 1
1 613 . 19 1 1 A 58 58 THR CA C 58 62.738 65.187 -2.449 1
1 614 . 19 1 1 A 58 58 THR CB C 58 69.810 68.756 1.054 1
1 616 . 19 1 1 A 59 59 ARG H H 59 7.422 8.038 -0.616 1
1 617 . 19 1 1 A 59 59 ARG HA H 59 4.740 4.699 0.041 1
1 624 . 19 1 1 A 59 59 ARG CA C 59 54.724 54.573 0.151 1
1 625 . 19 1 1 A 59 59 ARG CB C 59 33.659 32.944 0.715 1
1 628 . 19 1 1 A 59 59 ARG N N 59 118.359 121.350 -2.991 1
1 629 . 19 1 1 A 60 60 ARG HA H 60 2.949 3.246 -0.297 1
1 636 . 19 1 1 A 60 60 ARG CA C 60 59.468 58.609 0.859 1
1 637 . 19 1 1 A 60 60 ARG CB C 60 29.732 29.053 0.679 1
1 640 . 19 1 1 A 61 61 ASN HA H 61 4.332 4.284 0.048 1
1 645 . 19 1 1 A 61 61 ASN C C 61 177.497 178.083 -0.586 1
1 646 . 19 1 1 A 61 61 ASN CA C 61 56.212 56.180 0.032 1
1 647 . 19 1 1 A 61 61 ASN CB C 61 37.142 38.480 -1.338 1
1 649 . 19 1 1 A 62 62 THR H H 62 7.076 8.007 -0.931 1
1 650 . 19 1 1 A 62 62 THR HA H 62 3.893 3.910 -0.017 1
1 655 . 19 1 1 A 62 62 THR C C 62 176.684 175.878 0.806 1
1 656 . 19 1 1 A 62 62 THR CA C 62 65.025 66.812 -1.787 1
1 657 . 19 1 1 A 62 62 THR CB C 62 68.112 68.012 0.100 1
1 659 . 19 1 1 A 62 62 THR N N 62 115.050 115.878 -0.828 1
1 660 . 19 1 1 A 63 63 MET H H 63 7.149 8.021 -0.872 1
1 661 . 19 1 1 A 63 63 MET HA H 63 2.545 3.196 -0.651 1
1 669 . 19 1 1 A 63 63 MET C C 63 176.978 177.601 -0.623 1
1 670 . 19 1 1 A 63 63 MET CA C 63 58.791 57.738 1.053 1
1 671 . 19 1 1 A 63 63 MET CB C 63 31.556 31.990 -0.434 1
1 674 . 19 1 1 A 63 63 MET N N 63 122.700 119.704 2.996 1
1 675 . 19 1 1 A 64 64 ALA H H 64 8.383 8.485 -0.102 1
1 676 . 19 1 1 A 64 64 ALA HA H 64 3.944 3.950 -0.006 1
1 680 . 19 1 1 A 64 64 ALA C C 64 179.879 180.093 -0.214 1
1 681 . 19 1 1 A 64 64 ALA CA C 64 55.324 55.234 0.090 1
1 682 . 19 1 1 A 64 64 ALA CB C 64 18.033 18.482 -0.449 1
1 683 . 19 1 1 A 64 64 ALA N N 64 122.001 121.465 0.536 1
1 684 . 19 1 1 A 65 65 ARG H H 65 7.574 7.854 -0.280 1
1 685 . 19 1 1 A 65 65 ARG HA H 65 4.139 4.059 0.080 1
1 692 . 19 1 1 A 65 65 ARG C C 65 178.946 178.730 0.216 1
1 693 . 19 1 1 A 65 65 ARG CA C 65 58.182 59.597 -1.415 1
1 694 . 19 1 1 A 65 65 ARG CB C 65 30.153 29.701 0.452 1
1 697 . 19 1 1 A 65 65 ARG N N 65 116.551 117.530 -0.979 1
1 698 . 19 1 1 A 66 66 HIS H H 66 7.455 7.966 -0.511 1
1 699 . 19 1 1 A 66 66 HIS HA H 66 4.271 4.291 -0.020 1
1 704 . 19 1 1 A 66 66 HIS C C 66 177.633 176.773 0.860 1
1 705 . 19 1 1 A 66 66 HIS CA C 66 59.046 59.642 -0.596 1
1 706 . 19 1 1 A 66 66 HIS CB C 66 27.820 29.534 -1.714 1
1 709 . 19 1 1 A 66 66 HIS N N 66 118.483 119.841 -1.358 1
1 710 . 19 1 1 A 67 67 ALA H H 67 8.869 8.056 0.813 1
1 711 . 19 1 1 A 67 67 ALA HA H 67 3.968 3.736 0.232 1
1 715 . 19 1 1 A 67 67 ALA C C 67 179.374 179.413 -0.039 1
1 716 . 19 1 1 A 67 67 ALA CA C 67 55.186 55.083 0.103 1
1 717 . 19 1 1 A 67 67 ALA CB C 67 18.851 18.164 0.687 1
1 718 . 19 1 1 A 67 67 ALA N N 67 122.114 120.752 1.362 1
1 719 . 19 1 1 A 68 68 ASP H H 68 7.476 7.743 -0.267 1
1 720 . 19 1 1 A 68 68 ASP HA H 68 4.401 4.209 0.192 1
1 723 . 19 1 1 A 68 68 ASP C C 68 176.580 178.774 -2.194 1
1 724 . 19 1 1 A 68 68 ASP CA C 68 56.772 57.593 -0.821 1
1 725 . 19 1 1 A 68 68 ASP CB C 68 40.945 40.160 0.785 1
1 726 . 19 1 1 A 68 68 ASP N N 68 116.466 119.597 -3.131 1
1 727 . 19 1 1 A 69 69 ASN H H 69 7.227 7.467 -0.240 1
1 728 . 19 1 1 A 69 69 ASN HA H 69 4.905 4.603 0.302 1
1 733 . 19 1 1 A 69 69 ASN C C 69 173.603 175.463 -1.860 1
1 734 . 19 1 1 A 69 69 ASN CA C 69 52.518 54.999 -2.481 1
1 735 . 19 1 1 A 69 69 ASN CB C 69 40.657 38.463 2.194 1
1 736 . 19 1 1 A 69 69 ASN N N 69 114.158 115.108 -0.950 1
1 738 . 19 1 1 A 70 70 CYS H H 70 7.201 7.410 -0.209 1
1 739 . 19 1 1 A 70 70 CYS HA H 70 3.902 4.293 -0.391 1
1 742 . 19 1 1 A 70 70 CYS C C 70 175.424 174.116 1.308 1
1 743 . 19 1 1 A 70 70 CYS CA C 70 61.195 58.873 2.322 1
1 744 . 19 1 1 A 70 70 CYS CB C 70 29.288 28.648 0.640 1
1 745 . 19 1 1 A 70 70 CYS N N 70 124.154 118.202 5.952 1
1 746 . 19 1 1 A 71 71 ALA H H 71 8.783 8.815 -0.032 1
1 747 . 19 1 1 A 71 71 ALA HA H 71 4.562 4.490 0.072 1
1 751 . 19 1 1 A 71 71 ALA C C 71 177.513 177.234 0.279 1
1 752 . 19 1 1 A 71 71 ALA CA C 71 51.926 52.595 -0.669 1
1 753 . 19 1 1 A 71 71 ALA CB C 71 19.698 21.509 -1.811 1
1 754 . 19 1 1 A 71 71 ALA N N 71 131.493 125.105 6.388 1
1 755 . 19 1 1 A 72 72 GLY H H 72 8.645 7.346 1.299 1
1 756 . 19 1 1 A 72 72 GLY HA2 H 72 4.469 4.045 0.424 1
1 757 . 19 1 1 A 72 72 GLY HA3 H 72 3.628 4.050 -0.422 1
1 758 . 19 1 1 A 72 72 GLY C C 72 171.320 171.056 0.264 1
1 759 . 19 1 1 A 72 72 GLY CA C 72 44.286 45.268 -0.982 1
1 760 . 19 1 1 A 72 72 GLY N N 72 110.083 102.388 7.695 1
1 761 . 19 1 1 A 73 73 PRO HA H 73 4.470 4.696 -0.226 1
1 768 . 19 1 1 A 73 73 PRO C C 73 176.905 176.305 0.600 1
1 769 . 19 1 1 A 73 73 PRO CA C 73 63.706 62.833 0.873 1
1 770 . 19 1 1 A 73 73 PRO CB C 73 32.344 32.815 -0.471 1
1 773 . 19 1 1 A 74 74 ASP H H 74 8.506 8.850 -0.344 1
1 774 . 19 1 1 A 74 74 ASP HA H 74 4.659 4.827 -0.168 1
1 777 . 19 1 1 A 74 74 ASP C C 74 176.869 176.120 0.749 1
1 778 . 19 1 1 A 74 74 ASP CA C 74 54.617 54.827 -0.210 1
1 779 . 19 1 1 A 74 74 ASP CB C 74 41.335 41.453 -0.118 1
1 780 . 19 1 1 A 74 74 ASP N N 74 120.155 118.506 1.649 1
1 781 . 19 1 1 A 75 75 GLY H H 75 8.257 7.528 0.729 1
1 782 . 19 1 1 A 75 75 GLY HA2 H 75 4.072 4.035 0.037 1
1 783 . 19 1 1 A 75 75 GLY HA3 H 75 3.965 4.037 -0.072 1
1 784 . 19 1 1 A 75 75 GLY C C 75 174.256 172.008 2.248 1
1 785 . 19 1 1 A 75 75 GLY CA C 75 45.653 45.040 0.613 1
1 786 . 19 1 1 A 75 75 GLY N N 75 108.913 106.239 2.674 1
1 787 . 19 1 1 A 76 76 VAL H H 76 8.079 8.699 -0.620 1
1 788 . 19 1 1 A 76 76 VAL HA H 76 4.169 4.737 -0.568 1
1 796 . 19 1 1 A 76 76 VAL C C 76 176.347 173.644 2.703 1
1 797 . 19 1 1 A 76 76 VAL CA C 76 62.295 60.888 1.407 1
1 798 . 19 1 1 A 76 76 VAL CB C 76 32.871 34.537 -1.666 1
1 801 . 19 1 1 A 76 76 VAL N N 76 119.508 123.275 -3.767 1
1 802 . 19 1 1 A 77 77 GLU H H 77 8.619 8.849 -0.230 1
1 803 . 19 1 1 A 77 77 GLU HA H 77 4.310 4.901 -0.591 1
1 808 . 19 1 1 A 77 77 GLU C C 77 177.046 175.464 1.582 1
1 809 . 19 1 1 A 77 77 GLU CA C 77 56.966 55.360 1.606 1
1 810 . 19 1 1 A 77 77 GLU CB C 77 30.318 33.738 -3.420 1
1 812 . 19 1 1 A 77 77 GLU N N 77 125.001 126.181 -1.180 1
1 813 . 19 1 1 A 78 78 GLY H H 78 8.446 8.537 -0.091 1
1 814 . 19 1 1 A 78 78 GLY HA2 H 78 3.987 4.163 -0.176 1
1 815 . 19 1 1 A 78 78 GLY HA3 H 78 3.987 4.163 -0.176 1
1 816 . 19 1 1 A 78 78 GLY C C 78 174.238 172.086 2.152 1
1 817 . 19 1 1 A 78 78 GLY CA C 78 45.283 45.469 -0.186 1
1 818 . 19 1 1 A 78 78 GLY N N 78 110.357 108.481 1.876 1
1 819 . 19 1 1 A 79 79 GLU H H 79 8.313 8.834 -0.521 1
1 820 . 19 1 1 A 79 79 GLU HA H 79 4.309 5.287 -0.978 1
1 825 . 19 1 1 A 79 79 GLU C C 79 176.509 174.479 2.030 1
1 826 . 19 1 1 A 79 79 GLU CA C 79 56.755 54.679 2.076 1
1 827 . 19 1 1 A 79 79 GLU CB C 79 30.317 33.567 -3.250 1
1 829 . 19 1 1 A 79 79 GLU N N 79 120.638 122.391 -1.753 1
1 830 . 19 1 1 A 80 80 ASN H H 80 8.588 8.645 -0.057 1
1 831 . 19 1 1 A 80 80 ASN HA H 80 4.801 5.196 -0.395 1
1 834 . 19 1 1 A 80 80 ASN C C 80 175.202 174.846 0.356 1
1 835 . 19 1 1 A 80 80 ASN CA C 80 53.336 52.565 0.771 1
1 836 . 19 1 1 A 80 80 ASN CB C 80 39.051 41.923 -2.872 1
1 837 . 19 1 1 A 80 80 ASN N N 80 119.808 118.220 1.588 1
1 838 . 19 1 1 A 81 81 SER H H 81 8.322 9.032 -0.710 1
1 839 . 19 1 1 A 81 81 SER HA H 81 4.517 4.161 0.356 1
1 842 . 19 1 1 A 81 81 SER C C 81 174.643 175.074 -0.431 1
1 843 . 19 1 1 A 81 81 SER CA C 81 58.499 61.880 -3.381 1
1 844 . 19 1 1 A 81 81 SER CB C 81 64.056 63.446 0.610 1
1 845 . 19 1 1 A 81 81 SER N N 81 116.318 118.779 -2.461 1
1 846 . 19 1 1 A 82 82 GLY H H 82 8.303 8.133 0.170 1
1 847 . 19 1 1 A 82 82 GLY HA2 H 82 4.170 3.921 0.249 1
1 848 . 19 1 1 A 82 82 GLY HA3 H 82 4.125 3.924 0.201 1
1 849 . 19 1 1 A 82 82 GLY C C 82 171.855 174.271 -2.416 1
1 850 . 19 1 1 A 82 82 GLY CA C 82 44.719 46.885 -2.166 1
1 851 . 19 1 1 A 82 82 GLY N N 82 110.706 108.384 2.322 1
1 852 . 19 1 1 A 83 83 PRO HA H 83 4.498 4.646 -0.148 1
1 859 . 19 1 1 A 83 83 PRO C C 83 177.459 176.070 1.389 1
1 860 . 19 1 1 A 83 83 PRO CA C 83 63.274 62.649 0.625 1
1 861 . 19 1 1 A 83 83 PRO CB C 83 32.254 33.333 -1.079 1
1 864 . 19 1 1 A 84 84 SER H H 84 8.541 8.502 0.039 1
1 865 . 19 1 1 A 84 84 SER HA H 84 4.508 4.998 -0.490 1
1 868 . 19 1 1 A 84 84 SER C C 84 174.744 172.951 1.793 1
1 869 . 19 1 1 A 84 84 SER CA C 84 58.412 57.326 1.086 1
1 870 . 19 1 1 A 84 84 SER CB C 84 64.056 66.486 -2.430 1
1 871 . 19 1 1 A 84 84 SER N N 84 116.449 113.676 2.773 1
1 872 . 19 1 1 A 85 85 SER H H 85 8.353 8.789 -0.436 1
1 873 . 19 1 1 A 85 85 SER HA H 85 4.517 4.798 -0.281 1
1 876 . 19 1 1 A 85 85 SER C C 85 173.953 173.513 0.440 1
1 877 . 19 1 1 A 85 85 SER CA C 85 58.492 56.641 1.851 1
1 878 . 19 1 1 A 85 85 SER CB C 85 64.138 65.580 -1.442 1
1 879 . 19 1 1 A 85 85 SER N N 85 117.940 115.856 2.084 1
1 1 . 20 1 1 A 8 8 ARG HA H 8 4.432 4.757 -0.325 1
1 7 . 20 1 1 A 8 8 ARG CA C 8 56.069 54.303 1.766 1
1 8 . 20 1 1 A 8 8 ARG CB C 8 30.974 32.556 -1.582 1
1 14 . 20 1 1 A 9 9 THR CB C 9 69.816 67.295 2.521 1
1 16 . 20 1 1 A 10 10 HIS HA H 10 4.730 4.832 -0.102 1
1 21 . 20 1 1 A 10 10 HIS CA C 10 56.345 56.804 -0.459 1
1 22 . 20 1 1 A 10 10 HIS CB C 10 31.058 31.920 -0.862 1
1 28 . 20 1 1 A 11 11 THR CB C 11 69.816 71.533 -1.717 1
1 30 . 20 1 1 A 12 12 GLY HA2 H 12 3.978 4.177 -0.199 1
1 31 . 20 1 1 A 12 12 GLY HA3 H 12 3.978 4.186 -0.208 1
1 32 . 20 1 1 A 12 12 GLY CA C 12 45.442 44.470 0.972 1
1 33 . 20 1 1 A 13 13 GLU H H 13 8.243 8.483 -0.240 1
1 34 . 20 1 1 A 13 13 GLU HA H 13 4.235 5.000 -0.765 1
1 39 . 20 1 1 A 13 13 GLU CA C 13 56.898 54.614 2.284 1
1 40 . 20 1 1 A 13 13 GLU CB C 13 30.495 33.617 -3.122 1
1 42 . 20 1 1 A 13 13 GLU N N 13 120.364 120.157 0.207 1
1 43 . 20 1 1 A 14 14 LYS H H 14 8.276 8.509 -0.233 1
1 44 . 20 1 1 A 14 14 LYS HA H 14 4.528 5.031 -0.503 1
1 53 . 20 1 1 A 14 14 LYS CA C 14 54.009 53.000 1.009 1
1 54 . 20 1 1 A 14 14 LYS CB C 14 32.667 33.266 -0.599 1
1 58 . 20 1 1 A 14 14 LYS N N 14 121.981 121.172 0.809 1
1 59 . 20 1 1 A 15 15 PRO HA H 15 4.347 4.418 -0.071 1
1 66 . 20 1 1 A 15 15 PRO CA C 15 63.237 64.811 -1.574 1
1 67 . 20 1 1 A 15 15 PRO CB C 15 32.365 31.809 0.556 1
1 70 . 20 1 1 A 16 16 TYR H H 16 8.234 7.646 0.588 1
1 71 . 20 1 1 A 16 16 TYR HA H 16 4.508 4.756 -0.248 1
1 78 . 20 1 1 A 16 16 TYR C C 16 174.453 174.899 -0.446 1
1 79 . 20 1 1 A 16 16 TYR CA C 16 58.076 57.130 0.946 1
1 80 . 20 1 1 A 16 16 TYR CB C 16 38.346 38.013 0.333 1
1 85 . 20 1 1 A 16 16 TYR N N 16 118.751 117.929 0.822 1
1 86 . 20 1 1 A 17 17 ALA H H 17 8.567 9.091 -0.524 1
1 87 . 20 1 1 A 17 17 ALA HA H 17 4.754 5.260 -0.506 1
1 91 . 20 1 1 A 17 17 ALA C C 17 176.249 176.294 -0.045 1
1 92 . 20 1 1 A 17 17 ALA CA C 17 51.274 50.463 0.811 1
1 93 . 20 1 1 A 17 17 ALA CB C 17 20.625 20.753 -0.128 1
1 94 . 20 1 1 A 17 17 ALA N N 17 127.897 127.574 0.323 1
1 95 . 20 1 1 A 18 18 CYS H H 18 8.464 9.379 -0.915 1
1 96 . 20 1 1 A 18 18 CYS HA H 18 4.538 4.718 -0.180 1
1 99 . 20 1 1 A 18 18 CYS C C 18 175.739 176.355 -0.616 1
1 100 . 20 1 1 A 18 18 CYS CA C 18 60.966 59.637 1.329 1
1 101 . 20 1 1 A 18 18 CYS CB C 18 29.435 28.668 0.767 1
1 102 . 20 1 1 A 18 18 CYS N N 18 125.366 121.780 3.586 1
1 103 . 20 1 1 A 19 19 SER H H 19 8.439 9.067 -0.628 1
1 104 . 20 1 1 A 19 19 SER HA H 19 4.426 4.344 0.082 1
1 107 . 20 1 1 A 19 19 SER C C 19 175.890 176.634 -0.744 1
1 108 . 20 1 1 A 19 19 SER CA C 19 60.085 60.360 -0.275 1
1 109 . 20 1 1 A 19 19 SER CB C 19 64.097 63.880 0.217 1
1 110 . 20 1 1 A 19 19 SER N N 19 121.912 120.786 1.126 1
1 111 . 20 1 1 A 20 20 HIS H H 20 9.949 8.450 1.499 1
1 112 . 20 1 1 A 20 20 HIS HA H 20 4.579 4.452 0.127 1
1 117 . 20 1 1 A 20 20 HIS C C 20 174.670 175.568 -0.898 1
1 118 . 20 1 1 A 20 20 HIS CA C 20 57.354 58.772 -1.418 1
1 119 . 20 1 1 A 20 20 HIS CB C 20 30.787 29.248 1.539 1
1 122 . 20 1 1 A 20 20 HIS N N 20 126.154 118.784 7.370 1
1 123 . 20 1 1 A 21 21 CYS H H 21 7.972 8.094 -0.122 1
1 124 . 20 1 1 A 21 21 CYS HA H 21 4.947 4.918 0.029 1
1 127 . 20 1 1 A 21 21 CYS C C 21 172.879 173.675 -0.796 1
1 128 . 20 1 1 A 21 21 CYS CA C 21 58.891 56.628 2.263 1
1 129 . 20 1 1 A 21 21 CYS CB C 21 29.766 30.658 -0.892 1
1 130 . 20 1 1 A 21 21 CYS N N 21 119.638 115.064 4.574 1
1 131 . 20 1 1 A 22 22 ASP H H 22 8.167 8.763 -0.596 1
1 132 . 20 1 1 A 22 22 ASP HA H 22 4.668 4.828 -0.160 1
1 135 . 20 1 1 A 22 22 ASP C C 22 176.857 174.836 2.021 1
1 136 . 20 1 1 A 22 22 ASP CA C 22 54.587 53.013 1.574 1
1 137 . 20 1 1 A 22 22 ASP CB C 22 40.758 39.939 0.819 1
1 138 . 20 1 1 A 22 22 ASP N N 22 115.180 122.187 -7.007 1
1 139 . 20 1 1 A 23 23 LYS H H 23 8.407 7.591 0.816 1
1 140 . 20 1 1 A 23 23 LYS HA H 23 4.085 4.744 -0.659 1
1 148 . 20 1 1 A 23 23 LYS C C 23 175.732 175.751 -0.019 1
1 149 . 20 1 1 A 23 23 LYS CA C 23 57.537 54.710 2.827 1
1 150 . 20 1 1 A 23 23 LYS CB C 23 33.593 35.101 -1.508 1
1 154 . 20 1 1 A 23 23 LYS N N 23 122.302 121.332 0.970 1
1 155 . 20 1 1 A 24 24 THR H H 24 7.462 8.432 -0.970 1
1 156 . 20 1 1 A 24 24 THR HA H 24 5.018 5.457 -0.439 1
1 161 . 20 1 1 A 24 24 THR C C 24 173.047 172.790 0.257 1
1 162 . 20 1 1 A 24 24 THR CA C 24 59.500 58.803 0.697 1
1 163 . 20 1 1 A 24 24 THR CB C 24 71.795 72.145 -0.350 1
1 165 . 20 1 1 A 24 24 THR N N 24 110.405 112.274 -1.869 1
1 166 . 20 1 1 A 25 25 PHE H H 25 8.750 8.629 0.121 1
1 167 . 20 1 1 A 25 25 PHE HA H 25 4.886 4.947 -0.061 1
1 175 . 20 1 1 A 25 25 PHE C C 25 175.982 175.585 0.397 1
1 176 . 20 1 1 A 25 25 PHE CA C 25 57.301 56.497 0.804 1
1 177 . 20 1 1 A 25 25 PHE CB C 25 44.782 43.425 1.357 1
1 183 . 20 1 1 A 25 25 PHE N N 25 116.161 117.727 -1.566 1
1 184 . 20 1 1 A 26 26 ARG HA H 26 4.550 4.358 0.192 1
1 191 . 20 1 1 A 26 26 ARG C C 26 175.820 176.037 -0.217 1
1 192 . 20 1 1 A 26 26 ARG CA C 26 57.830 58.906 -1.076 1
1 193 . 20 1 1 A 26 26 ARG CB C 26 31.465 30.192 1.273 1
1 196 . 20 1 1 A 27 27 GLN H H 27 7.052 7.860 -0.808 1
1 197 . 20 1 1 A 27 27 GLN HA H 27 4.820 4.419 0.401 1
1 204 . 20 1 1 A 27 27 GLN C C 27 175.929 175.839 0.090 1
1 205 . 20 1 1 A 27 27 GLN CA C 27 53.971 54.770 -0.799 1
1 206 . 20 1 1 A 27 27 GLN CB C 27 32.968 30.327 2.641 1
1 208 . 20 1 1 A 27 27 GLN N N 27 111.833 118.283 -6.450 1
1 210 . 20 1 1 A 28 28 LYS H H 28 8.616 8.217 0.399 1
1 211 . 20 1 1 A 28 28 LYS HA H 28 3.013 3.181 -0.168 1
1 220 . 20 1 1 A 28 28 LYS C C 28 177.891 177.972 -0.081 1
1 221 . 20 1 1 A 28 28 LYS CA C 28 59.351 59.935 -0.584 1
1 222 . 20 1 1 A 28 28 LYS CB C 28 31.901 31.753 0.148 1
1 226 . 20 1 1 A 28 28 LYS N N 28 127.969 125.026 2.943 1
1 227 . 20 1 1 A 29 29 GLN H H 29 9.039 7.772 1.267 1
1 228 . 20 1 1 A 29 29 GLN HA H 29 4.110 3.893 0.217 1
1 235 . 20 1 1 A 29 29 GLN C C 29 178.275 178.078 0.197 1
1 236 . 20 1 1 A 29 29 GLN CA C 29 59.073 58.476 0.597 1
1 237 . 20 1 1 A 29 29 GLN CB C 29 27.673 28.406 -0.733 1
1 239 . 20 1 1 A 29 29 GLN N N 29 116.426 118.563 -2.137 1
1 241 . 20 1 1 A 30 30 LEU H H 30 6.687 7.980 -1.293 1
1 242 . 20 1 1 A 30 30 LEU HA H 30 4.105 3.822 0.283 1
1 252 . 20 1 1 A 30 30 LEU C C 30 179.455 178.728 0.727 1
1 253 . 20 1 1 A 30 30 LEU CA C 30 56.878 57.662 -0.784 1
1 254 . 20 1 1 A 30 30 LEU CB C 30 41.552 41.605 -0.053 1
1 258 . 20 1 1 A 30 30 LEU N N 30 116.469 119.691 -3.222 1
1 259 . 20 1 1 A 31 31 LEU H H 31 6.875 7.739 -0.864 1
1 260 . 20 1 1 A 31 31 LEU HA H 31 3.174 2.845 0.329 1
1 270 . 20 1 1 A 31 31 LEU C C 31 177.599 178.168 -0.569 1
1 271 . 20 1 1 A 31 31 LEU CA C 31 57.829 56.973 0.856 1
1 272 . 20 1 1 A 31 31 LEU CB C 31 39.945 40.877 -0.932 1
1 276 . 20 1 1 A 31 31 LEU N N 31 122.863 119.268 3.595 1
1 277 . 20 1 1 A 32 32 ASP H H 32 8.429 8.326 0.103 1
1 278 . 20 1 1 A 32 32 ASP HA H 32 4.356 4.238 0.118 1
1 281 . 20 1 1 A 32 32 ASP C C 32 179.142 178.059 1.083 1
1 282 . 20 1 1 A 32 32 ASP CA C 32 57.830 57.108 0.722 1
1 283 . 20 1 1 A 32 32 ASP CB C 32 39.978 40.993 -1.015 1
1 284 . 20 1 1 A 32 32 ASP N N 32 120.350 119.170 1.180 1
1 285 . 20 1 1 A 33 33 MET H H 33 7.738 8.135 -0.397 1
1 286 . 20 1 1 A 33 33 MET HA H 33 4.167 3.790 0.377 1
1 294 . 20 1 1 A 33 33 MET C C 33 178.463 178.120 0.343 1
1 295 . 20 1 1 A 33 33 MET CA C 33 58.454 57.967 0.487 1
1 296 . 20 1 1 A 33 33 MET CB C 33 32.924 32.174 0.750 1
1 299 . 20 1 1 A 33 33 MET N N 33 118.109 118.665 -0.556 1
1 300 . 20 1 1 A 34 34 HIS H H 34 7.632 8.126 -0.494 1
1 301 . 20 1 1 A 34 34 HIS HA H 34 4.396 4.245 0.151 1
1 306 . 20 1 1 A 34 34 HIS C C 34 176.258 176.794 -0.536 1
1 307 . 20 1 1 A 34 34 HIS CA C 34 59.715 59.048 0.667 1
1 308 . 20 1 1 A 34 34 HIS CB C 34 28.594 29.663 -1.069 1
1 311 . 20 1 1 A 34 34 HIS N N 34 120.242 120.864 -0.622 1
1 312 . 20 1 1 A 35 35 PHE H H 35 9.373 8.172 1.201 1
1 313 . 20 1 1 A 35 35 PHE HA H 35 3.726 3.857 -0.131 1
1 321 . 20 1 1 A 35 35 PHE C C 35 178.043 177.356 0.687 1
1 322 . 20 1 1 A 35 35 PHE CA C 35 62.870 61.137 1.733 1
1 323 . 20 1 1 A 35 35 PHE CB C 35 39.846 39.169 0.677 1
1 329 . 20 1 1 A 35 35 PHE N N 35 121.691 120.084 1.607 1
1 330 . 20 1 1 A 36 36 LYS H H 36 7.861 7.857 0.004 1
1 331 . 20 1 1 A 36 36 LYS HA H 36 4.139 4.444 -0.305 1
1 340 . 20 1 1 A 36 36 LYS C C 36 176.843 178.442 -1.599 1
1 341 . 20 1 1 A 36 36 LYS CA C 36 58.198 58.598 -0.400 1
1 342 . 20 1 1 A 36 36 LYS CB C 36 32.906 32.344 0.562 1
1 346 . 20 1 1 A 36 36 LYS N N 36 118.022 118.050 -0.028 1
1 347 . 20 1 1 A 37 37 ARG H H 37 7.298 7.617 -0.319 1
1 348 . 20 1 1 A 37 37 ARG HA H 37 3.717 4.258 -0.541 1
1 355 . 20 1 1 A 37 37 ARG C C 37 177.872 178.294 -0.422 1
1 356 . 20 1 1 A 37 37 ARG CA C 37 57.874 58.178 -0.304 1
1 357 . 20 1 1 A 37 37 ARG CB C 37 30.619 30.866 -0.247 1
1 360 . 20 1 1 A 37 37 ARG N N 37 114.740 120.413 -5.673 1
1 361 . 20 1 1 A 38 38 TYR H H 38 7.779 8.369 -0.590 1
1 362 . 20 1 1 A 38 38 TYR HA H 38 4.146 4.159 -0.013 1
1 369 . 20 1 1 A 38 38 TYR C C 38 176.160 178.519 -2.359 1
1 370 . 20 1 1 A 38 38 TYR CA C 38 59.941 60.168 -0.227 1
1 371 . 20 1 1 A 38 38 TYR CB C 38 38.516 38.061 0.455 1
1 376 . 20 1 1 A 38 38 TYR N N 38 112.257 118.818 -6.561 1
1 377 . 20 1 1 A 39 39 HIS H H 39 7.679 7.664 0.015 1
1 378 . 20 1 1 A 39 39 HIS HA H 39 4.943 4.360 0.583 1
1 383 . 20 1 1 A 39 39 HIS C C 39 173.845 175.279 -1.434 1
1 384 . 20 1 1 A 39 39 HIS CA C 39 54.045 58.404 -4.359 1
1 385 . 20 1 1 A 39 39 HIS CB C 39 29.490 29.090 0.400 1
1 388 . 20 1 1 A 39 39 HIS N N 39 114.679 116.871 -2.192 1
1 389 . 20 1 1 A 40 40 ASP H H 40 7.317 7.510 -0.193 1
1 390 . 20 1 1 A 40 40 ASP HA H 40 4.800 4.950 -0.150 1
1 393 . 20 1 1 A 40 40 ASP C C 40 175.035 174.972 0.063 1
1 394 . 20 1 1 A 40 40 ASP CA C 40 51.697 50.520 1.177 1
1 395 . 20 1 1 A 40 40 ASP CB C 40 42.630 43.304 -0.674 1
1 396 . 20 1 1 A 40 40 ASP N N 40 119.125 118.289 0.836 1
1 397 . 20 1 1 A 41 41 PRO HA H 41 4.552 4.399 0.153 1
1 404 . 20 1 1 A 41 41 PRO C C 41 177.331 177.560 -0.229 1
1 405 . 20 1 1 A 41 41 PRO CA C 41 64.019 64.054 -0.035 1
1 406 . 20 1 1 A 41 41 PRO CB C 41 32.235 31.824 0.411 1
1 409 . 20 1 1 A 42 42 ASN H H 42 8.484 8.656 -0.172 1
1 410 . 20 1 1 A 42 42 ASN HA H 42 4.703 4.542 0.161 1
1 415 . 20 1 1 A 42 42 ASN C C 42 174.879 176.490 -1.611 1
1 416 . 20 1 1 A 42 42 ASN CA C 42 53.371 56.342 -2.971 1
1 417 . 20 1 1 A 42 42 ASN CB C 42 39.009 38.835 0.174 1
1 418 . 20 1 1 A 42 42 ASN N N 42 116.107 116.751 -0.644 1
1 420 . 20 1 1 A 43 43 PHE H H 43 7.741 7.657 0.084 1
1 421 . 20 1 1 A 43 43 PHE HA H 43 4.448 4.399 0.049 1
1 429 . 20 1 1 A 43 43 PHE CA C 43 58.640 59.813 -1.173 1
1 430 . 20 1 1 A 43 43 PHE CB C 43 40.203 39.925 0.278 1
1 436 . 20 1 1 A 43 43 PHE N N 43 121.284 118.598 2.686 1
1 437 . 20 1 1 A 44 44 VAL H H 44 7.718 8.156 -0.438 1
1 438 . 20 1 1 A 44 44 VAL HA H 44 4.221 4.729 -0.508 1
1 446 . 20 1 1 A 44 44 VAL C C 44 173.190 173.662 -0.472 1
1 447 . 20 1 1 A 44 44 VAL CA C 44 59.177 58.590 0.587 1
1 448 . 20 1 1 A 44 44 VAL CB C 44 33.260 34.781 -1.521 1
1 451 . 20 1 1 A 44 44 VAL N N 44 126.832 126.431 0.401 1
1 452 . 20 1 1 A 45 45 PRO HA H 45 4.114 4.719 -0.605 1
1 459 . 20 1 1 A 45 45 PRO C C 45 176.031 177.169 -1.138 1
1 460 . 20 1 1 A 45 45 PRO CA C 45 62.732 62.459 0.273 1
1 461 . 20 1 1 A 45 45 PRO CB C 45 32.197 32.688 -0.491 1
1 464 . 20 1 1 A 46 46 ALA H H 46 8.199 8.404 -0.205 1
1 465 . 20 1 1 A 46 46 ALA HA H 46 4.161 4.494 -0.333 1
1 469 . 20 1 1 A 46 46 ALA C C 46 176.631 176.637 -0.006 1
1 470 . 20 1 1 A 46 46 ALA CA C 46 52.105 52.367 -0.262 1
1 471 . 20 1 1 A 46 46 ALA CB C 46 19.315 19.361 -0.046 1
1 472 . 20 1 1 A 46 46 ALA N N 46 124.122 125.281 -1.159 1
1 473 . 20 1 1 A 47 47 ALA H H 47 7.755 8.871 -1.116 1
1 474 . 20 1 1 A 47 47 ALA HA H 47 4.218 5.181 -0.963 1
1 478 . 20 1 1 A 47 47 ALA C C 47 176.322 175.633 0.689 1
1 479 . 20 1 1 A 47 47 ALA CA C 47 52.140 50.360 1.780 1
1 480 . 20 1 1 A 47 47 ALA CB C 47 20.283 19.723 0.560 1
1 481 . 20 1 1 A 47 47 ALA N N 47 121.689 127.099 -5.410 1
1 482 . 20 1 1 A 48 48 PHE H H 48 8.323 9.029 -0.706 1
1 483 . 20 1 1 A 48 48 PHE HA H 48 4.782 5.132 -0.350 1
1 491 . 20 1 1 A 48 48 PHE C C 48 174.258 174.564 -0.306 1
1 492 . 20 1 1 A 48 48 PHE CA C 48 57.108 56.717 0.391 1
1 493 . 20 1 1 A 48 48 PHE CB C 48 40.615 40.529 0.086 1
1 499 . 20 1 1 A 48 48 PHE N N 48 118.583 122.808 -4.225 1
1 500 . 20 1 1 A 49 49 VAL H H 49 8.584 9.130 -0.546 1
1 501 . 20 1 1 A 49 49 VAL HA H 49 4.829 5.085 -0.256 1
1 509 . 20 1 1 A 49 49 VAL C C 49 175.667 175.826 -0.159 1
1 510 . 20 1 1 A 49 49 VAL CA C 49 60.508 61.311 -0.803 1
1 511 . 20 1 1 A 49 49 VAL CB C 49 35.158 33.426 1.732 1
1 514 . 20 1 1 A 49 49 VAL N N 49 123.555 124.304 -0.749 1
1 515 . 20 1 1 A 50 50 CYS H H 50 9.170 9.297 -0.127 1
1 516 . 20 1 1 A 50 50 CYS HA H 50 4.593 4.526 0.067 1
1 519 . 20 1 1 A 50 50 CYS C C 50 177.661 174.575 3.086 1
1 520 . 20 1 1 A 50 50 CYS CA C 50 59.909 59.284 0.625 1
1 521 . 20 1 1 A 50 50 CYS CB C 50 30.835 28.842 1.993 1
1 522 . 20 1 1 A 50 50 CYS N N 50 128.866 127.395 1.471 1
1 523 . 20 1 1 A 51 51 SER H H 51 9.205 8.892 0.313 1
1 524 . 20 1 1 A 51 51 SER HA H 51 4.271 4.684 -0.413 1
1 527 . 20 1 1 A 51 51 SER C C 51 174.401 175.701 -1.300 1
1 528 . 20 1 1 A 51 51 SER CA C 51 60.890 58.725 2.165 1
1 529 . 20 1 1 A 51 51 SER CB C 51 63.231 65.803 -2.572 1
1 530 . 20 1 1 A 51 51 SER N N 51 128.162 120.076 8.086 1
1 531 . 20 1 1 A 52 52 LYS H H 52 9.118 8.147 0.971 1
1 532 . 20 1 1 A 52 52 LYS HA H 52 4.421 4.160 0.261 1
1 541 . 20 1 1 A 52 52 LYS C C 52 177.831 177.987 -0.156 1
1 542 . 20 1 1 A 52 52 LYS CA C 52 58.535 58.729 -0.194 1
1 543 . 20 1 1 A 52 52 LYS CB C 52 34.152 32.963 1.189 1
1 547 . 20 1 1 A 52 52 LYS N N 52 123.970 120.515 3.455 1
1 548 . 20 1 1 A 53 53 CYS H H 53 8.241 8.189 0.052 1
1 549 . 20 1 1 A 53 53 CYS HA H 53 4.999 4.661 0.338 1
1 552 . 20 1 1 A 53 53 CYS C C 53 176.529 175.462 1.067 1
1 553 . 20 1 1 A 53 53 CYS CA C 53 58.587 59.672 -1.085 1
1 554 . 20 1 1 A 53 53 CYS CB C 53 33.353 29.822 3.531 1
1 555 . 20 1 1 A 53 53 CYS N N 53 115.684 114.880 0.804 1
1 556 . 20 1 1 A 54 54 GLY H H 54 8.290 8.263 0.027 1
1 557 . 20 1 1 A 54 54 GLY HA2 H 54 4.226 4.085 0.141 1
1 558 . 20 1 1 A 54 54 GLY HA3 H 54 3.733 4.108 -0.375 1
1 559 . 20 1 1 A 54 54 GLY C C 54 173.761 174.683 -0.922 1
1 560 . 20 1 1 A 54 54 GLY CA C 54 46.147 45.211 0.936 1
1 561 . 20 1 1 A 54 54 GLY N N 54 113.723 110.386 3.337 1
1 562 . 20 1 1 A 55 55 LYS H H 55 8.598 7.379 1.219 1
1 563 . 20 1 1 A 55 55 LYS HA H 55 4.074 4.437 -0.363 1
1 572 . 20 1 1 A 55 55 LYS C C 55 174.748 175.996 -1.248 1
1 573 . 20 1 1 A 55 55 LYS CA C 55 58.270 56.136 2.134 1
1 574 . 20 1 1 A 55 55 LYS CB C 55 33.778 33.880 -0.102 1
1 578 . 20 1 1 A 55 55 LYS N N 55 124.175 120.046 4.129 1
1 579 . 20 1 1 A 56 56 THR H H 56 7.708 8.453 -0.745 1
1 580 . 20 1 1 A 56 56 THR HA H 56 5.028 5.446 -0.418 1
1 585 . 20 1 1 A 56 56 THR C C 56 173.673 173.520 0.153 1
1 586 . 20 1 1 A 56 56 THR CA C 56 60.779 60.012 0.767 1
1 587 . 20 1 1 A 56 56 THR CB C 56 70.823 70.681 0.142 1
1 589 . 20 1 1 A 56 56 THR N N 56 113.091 111.949 1.142 1
1 590 . 20 1 1 A 57 57 PHE H H 57 8.944 8.805 0.139 1
1 591 . 20 1 1 A 57 57 PHE HA H 57 4.850 4.850 0.000 1
1 599 . 20 1 1 A 57 57 PHE C C 57 175.764 175.871 -0.107 1
1 600 . 20 1 1 A 57 57 PHE CA C 57 56.949 56.555 0.394 1
1 601 . 20 1 1 A 57 57 PHE CB C 57 43.729 42.784 0.945 1
1 607 . 20 1 1 A 57 57 PHE N N 57 119.958 119.668 0.290 1
1 608 . 20 1 1 A 58 58 THR HA H 58 4.629 4.382 0.247 1
1 613 . 20 1 1 A 58 58 THR CA C 58 62.738 65.165 -2.427 1
1 614 . 20 1 1 A 58 58 THR CB C 58 69.810 69.210 0.600 1
1 616 . 20 1 1 A 59 59 ARG H H 59 7.422 7.897 -0.475 1
1 617 . 20 1 1 A 59 59 ARG HA H 59 4.740 4.677 0.063 1
1 624 . 20 1 1 A 59 59 ARG CA C 59 54.724 54.268 0.456 1
1 625 . 20 1 1 A 59 59 ARG CB C 59 33.659 32.832 0.827 1
1 628 . 20 1 1 A 59 59 ARG N N 59 118.359 120.076 -1.717 1
1 629 . 20 1 1 A 60 60 ARG HA H 60 2.949 3.137 -0.188 1
1 636 . 20 1 1 A 60 60 ARG CA C 60 59.468 58.601 0.867 1
1 637 . 20 1 1 A 60 60 ARG CB C 60 29.732 29.051 0.681 1
1 640 . 20 1 1 A 61 61 ASN HA H 61 4.332 4.237 0.095 1
1 645 . 20 1 1 A 61 61 ASN C C 61 177.497 177.872 -0.375 1
1 646 . 20 1 1 A 61 61 ASN CA C 61 56.212 56.355 -0.143 1
1 647 . 20 1 1 A 61 61 ASN CB C 61 37.142 37.752 -0.610 1
1 649 . 20 1 1 A 62 62 THR H H 62 7.076 8.152 -1.076 1
1 650 . 20 1 1 A 62 62 THR HA H 62 3.893 3.836 0.057 1
1 655 . 20 1 1 A 62 62 THR C C 62 176.684 175.811 0.873 1
1 656 . 20 1 1 A 62 62 THR CA C 62 65.025 67.293 -2.268 1
1 657 . 20 1 1 A 62 62 THR CB C 62 68.112 68.015 0.097 1
1 659 . 20 1 1 A 62 62 THR N N 62 115.050 115.489 -0.439 1
1 660 . 20 1 1 A 63 63 MET H H 63 7.149 7.870 -0.721 1
1 661 . 20 1 1 A 63 63 MET HA H 63 2.545 3.109 -0.564 1
1 669 . 20 1 1 A 63 63 MET C C 63 176.978 177.613 -0.635 1
1 670 . 20 1 1 A 63 63 MET CA C 63 58.791 57.592 1.199 1
1 671 . 20 1 1 A 63 63 MET CB C 63 31.556 32.026 -0.470 1
1 674 . 20 1 1 A 63 63 MET N N 63 122.700 119.647 3.053 1
1 675 . 20 1 1 A 64 64 ALA H H 64 8.383 8.515 -0.132 1
1 676 . 20 1 1 A 64 64 ALA HA H 64 3.944 3.902 0.042 1
1 680 . 20 1 1 A 64 64 ALA C C 64 179.879 179.884 -0.005 1
1 681 . 20 1 1 A 64 64 ALA CA C 64 55.324 55.321 0.003 1
1 682 . 20 1 1 A 64 64 ALA CB C 64 18.033 18.495 -0.462 1
1 683 . 20 1 1 A 64 64 ALA N N 64 122.001 121.348 0.653 1
1 684 . 20 1 1 A 65 65 ARG H H 65 7.574 7.922 -0.348 1
1 685 . 20 1 1 A 65 65 ARG HA H 65 4.139 3.969 0.170 1
1 692 . 20 1 1 A 65 65 ARG C C 65 178.946 178.907 0.039 1
1 693 . 20 1 1 A 65 65 ARG CA C 65 58.182 59.324 -1.142 1
1 694 . 20 1 1 A 65 65 ARG CB C 65 30.153 29.897 0.256 1
1 697 . 20 1 1 A 65 65 ARG N N 65 116.551 117.853 -1.302 1
1 698 . 20 1 1 A 66 66 HIS H H 66 7.455 7.872 -0.417 1
1 699 . 20 1 1 A 66 66 HIS HA H 66 4.271 4.293 -0.022 1
1 704 . 20 1 1 A 66 66 HIS C C 66 177.633 176.632 1.001 1
1 705 . 20 1 1 A 66 66 HIS CA C 66 59.046 59.550 -0.504 1
1 706 . 20 1 1 A 66 66 HIS CB C 66 27.820 29.643 -1.823 1
1 709 . 20 1 1 A 66 66 HIS N N 66 118.483 119.700 -1.217 1
1 710 . 20 1 1 A 67 67 ALA H H 67 8.869 8.138 0.731 1
1 711 . 20 1 1 A 67 67 ALA HA H 67 3.968 3.766 0.202 1
1 715 . 20 1 1 A 67 67 ALA C C 67 179.374 179.453 -0.079 1
1 716 . 20 1 1 A 67 67 ALA CA C 67 55.186 55.078 0.108 1
1 717 . 20 1 1 A 67 67 ALA CB C 67 18.851 18.367 0.484 1
1 718 . 20 1 1 A 67 67 ALA N N 67 122.114 120.630 1.484 1
1 719 . 20 1 1 A 68 68 ASP H H 68 7.476 7.710 -0.234 1
1 720 . 20 1 1 A 68 68 ASP HA H 68 4.401 4.209 0.192 1
1 723 . 20 1 1 A 68 68 ASP C C 68 176.580 178.739 -2.159 1
1 724 . 20 1 1 A 68 68 ASP CA C 68 56.772 57.592 -0.820 1
1 725 . 20 1 1 A 68 68 ASP CB C 68 40.945 40.109 0.836 1
1 726 . 20 1 1 A 68 68 ASP N N 68 116.466 119.320 -2.854 1
1 727 . 20 1 1 A 69 69 ASN H H 69 7.227 7.385 -0.158 1
1 728 . 20 1 1 A 69 69 ASN HA H 69 4.905 4.609 0.296 1
1 733 . 20 1 1 A 69 69 ASN C C 69 173.603 175.394 -1.791 1
1 734 . 20 1 1 A 69 69 ASN CA C 69 52.518 54.923 -2.405 1
1 735 . 20 1 1 A 69 69 ASN CB C 69 40.657 38.606 2.051 1
1 736 . 20 1 1 A 69 69 ASN N N 69 114.158 114.950 -0.792 1
1 738 . 20 1 1 A 70 70 CYS H H 70 7.201 7.479 -0.278 1
1 739 . 20 1 1 A 70 70 CYS HA H 70 3.902 4.287 -0.385 1
1 742 . 20 1 1 A 70 70 CYS C C 70 175.424 174.087 1.337 1
1 743 . 20 1 1 A 70 70 CYS CA C 70 61.195 59.107 2.088 1
1 744 . 20 1 1 A 70 70 CYS CB C 70 29.288 28.638 0.650 1
1 745 . 20 1 1 A 70 70 CYS N N 70 124.154 118.226 5.928 1
1 746 . 20 1 1 A 71 71 ALA H H 71 8.783 8.796 -0.013 1
1 747 . 20 1 1 A 71 71 ALA HA H 71 4.562 4.499 0.063 1
1 751 . 20 1 1 A 71 71 ALA C C 71 177.513 177.310 0.203 1
1 752 . 20 1 1 A 71 71 ALA CA C 71 51.926 52.596 -0.670 1
1 753 . 20 1 1 A 71 71 ALA CB C 71 19.698 21.524 -1.826 1
1 754 . 20 1 1 A 71 71 ALA N N 71 131.493 125.571 5.922 1
1 755 . 20 1 1 A 72 72 GLY H H 72 8.645 7.406 1.239 1
1 756 . 20 1 1 A 72 72 GLY HA2 H 72 4.469 4.047 0.422 1
1 757 . 20 1 1 A 72 72 GLY HA3 H 72 3.628 4.054 -0.426 1
1 758 . 20 1 1 A 72 72 GLY C C 72 171.320 171.027 0.293 1
1 759 . 20 1 1 A 72 72 GLY CA C 72 44.286 45.329 -1.043 1
1 760 . 20 1 1 A 72 72 GLY N N 72 110.083 102.381 7.702 1
1 761 . 20 1 1 A 73 73 PRO HA H 73 4.470 4.672 -0.202 1
1 768 . 20 1 1 A 73 73 PRO C C 73 176.905 175.266 1.639 1
1 769 . 20 1 1 A 73 73 PRO CA C 73 63.706 62.746 0.960 1
1 770 . 20 1 1 A 73 73 PRO CB C 73 32.344 33.439 -1.095 1
1 773 . 20 1 1 A 74 74 ASP H H 74 8.506 8.822 -0.316 1
1 774 . 20 1 1 A 74 74 ASP HA H 74 4.659 5.093 -0.434 1
1 777 . 20 1 1 A 74 74 ASP C C 74 176.869 175.863 1.006 1
1 778 . 20 1 1 A 74 74 ASP CA C 74 54.617 53.262 1.355 1
1 779 . 20 1 1 A 74 74 ASP CB C 74 41.335 43.316 -1.981 1
1 780 . 20 1 1 A 74 74 ASP N N 74 120.155 118.885 1.270 1
1 781 . 20 1 1 A 75 75 GLY H H 75 8.257 8.819 -0.562 1
1 782 . 20 1 1 A 75 75 GLY HA2 H 75 4.072 4.013 0.059 1
1 783 . 20 1 1 A 75 75 GLY HA3 H 75 3.965 4.013 -0.048 1
1 784 . 20 1 1 A 75 75 GLY C C 75 174.256 172.355 1.901 1
1 785 . 20 1 1 A 75 75 GLY CA C 75 45.653 44.769 0.884 1
1 786 . 20 1 1 A 75 75 GLY N N 75 108.913 112.989 -4.076 1
1 787 . 20 1 1 A 76 76 VAL H H 76 8.079 8.309 -0.230 1
1 788 . 20 1 1 A 76 76 VAL HA H 76 4.169 4.848 -0.679 1
1 796 . 20 1 1 A 76 76 VAL C C 76 176.347 174.347 2.000 1
1 797 . 20 1 1 A 76 76 VAL CA C 76 62.295 60.177 2.118 1
1 798 . 20 1 1 A 76 76 VAL CB C 76 32.871 35.168 -2.297 1
1 801 . 20 1 1 A 76 76 VAL N N 76 119.508 119.548 -0.040 1
1 802 . 20 1 1 A 77 77 GLU H H 77 8.619 8.887 -0.268 1
1 803 . 20 1 1 A 77 77 GLU HA H 77 4.310 4.383 -0.073 1
1 808 . 20 1 1 A 77 77 GLU C C 77 177.046 176.386 0.660 1
1 809 . 20 1 1 A 77 77 GLU CA C 77 56.966 55.468 1.498 1
1 810 . 20 1 1 A 77 77 GLU CB C 77 30.318 31.121 -0.803 1
1 812 . 20 1 1 A 77 77 GLU N N 77 125.001 126.952 -1.951 1
1 813 . 20 1 1 A 78 78 GLY H H 78 8.446 8.594 -0.148 1
1 814 . 20 1 1 A 78 78 GLY HA2 H 78 3.987 3.955 0.032 1
1 815 . 20 1 1 A 78 78 GLY HA3 H 78 3.987 3.955 0.032 1
1 816 . 20 1 1 A 78 78 GLY C C 78 174.238 174.965 -0.727 1
1 817 . 20 1 1 A 78 78 GLY CA C 78 45.283 45.419 -0.136 1
1 818 . 20 1 1 A 78 78 GLY N N 78 110.357 107.284 3.073 1
1 819 . 20 1 1 A 79 79 GLU H H 79 8.313 8.386 -0.073 1
1 820 . 20 1 1 A 79 79 GLU HA H 79 4.309 4.113 0.196 1
1 825 . 20 1 1 A 79 79 GLU C C 79 176.509 176.835 -0.326 1
1 826 . 20 1 1 A 79 79 GLU CA C 79 56.755 59.252 -2.497 1
1 827 . 20 1 1 A 79 79 GLU CB C 79 30.317 29.114 1.203 1
1 829 . 20 1 1 A 79 79 GLU N N 79 120.638 120.960 -0.322 1
1 830 . 20 1 1 A 80 80 ASN H H 80 8.588 7.791 0.797 1
1 831 . 20 1 1 A 80 80 ASN HA H 80 4.801 4.530 0.271 1
1 834 . 20 1 1 A 80 80 ASN C C 80 175.202 174.839 0.363 1
1 835 . 20 1 1 A 80 80 ASN CA C 80 53.336 53.861 -0.525 1
1 836 . 20 1 1 A 80 80 ASN CB C 80 39.051 39.368 -0.317 1
1 837 . 20 1 1 A 80 80 ASN N N 80 119.808 120.005 -0.197 1
1 838 . 20 1 1 A 81 81 SER H H 81 8.322 8.696 -0.374 1
1 839 . 20 1 1 A 81 81 SER HA H 81 4.517 4.487 0.030 1
1 842 . 20 1 1 A 81 81 SER C C 81 174.643 174.052 0.591 1
1 843 . 20 1 1 A 81 81 SER CA C 81 58.499 59.421 -0.922 1
1 844 . 20 1 1 A 81 81 SER CB C 81 64.056 63.705 0.351 1
1 845 . 20 1 1 A 81 81 SER N N 81 116.318 122.646 -6.328 1
1 846 . 20 1 1 A 82 82 GLY H H 82 8.303 8.285 0.018 1
1 847 . 20 1 1 A 82 82 GLY HA2 H 82 4.170 4.165 0.005 1
1 848 . 20 1 1 A 82 82 GLY HA3 H 82 4.125 4.166 -0.041 1
1 849 . 20 1 1 A 82 82 GLY C C 82 171.855 174.159 -2.304 1
1 850 . 20 1 1 A 82 82 GLY CA C 82 44.719 45.806 -1.087 1
1 851 . 20 1 1 A 82 82 GLY N N 82 110.706 112.544 -1.838 1
1 852 . 20 1 1 A 83 83 PRO HA H 83 4.498 4.457 0.041 1
1 859 . 20 1 1 A 83 83 PRO C C 83 177.459 176.109 1.350 1
1 860 . 20 1 1 A 83 83 PRO CA C 83 63.274 64.643 -1.369 1
1 861 . 20 1 1 A 83 83 PRO CB C 83 32.254 32.093 0.161 1
1 864 . 20 1 1 A 84 84 SER H H 84 8.541 7.727 0.814 1
1 865 . 20 1 1 A 84 84 SER HA H 84 4.508 4.795 -0.287 1
1 868 . 20 1 1 A 84 84 SER C C 84 174.744 172.632 2.112 1
1 869 . 20 1 1 A 84 84 SER CA C 84 58.412 58.005 0.407 1
1 870 . 20 1 1 A 84 84 SER CB C 84 64.056 65.656 -1.600 1
1 871 . 20 1 1 A 84 84 SER N N 84 116.449 108.841 7.608 1
1 872 . 20 1 1 A 85 85 SER H H 85 8.353 8.785 -0.432 1
1 873 . 20 1 1 A 85 85 SER HA H 85 4.517 5.025 -0.508 1
1 876 . 20 1 1 A 85 85 SER C C 85 173.953 172.970 0.983 1
1 877 . 20 1 1 A 85 85 SER CA C 85 58.492 57.600 0.892 1
1 878 . 20 1 1 A 85 85 SER CB C 85 64.138 67.280 -3.142 1
1 879 . 20 1 1 A 85 85 SER N N 85 117.940 118.428 -0.488 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 66 1.098 1
2 1 1 1 "RMS(OBS, PRED)" CA 76 1.302 1
3 1 1 1 "RMS(OBS, PRED)" CB 72 1.237 1
4 1 1 1 "RMS(OBS, PRED)" H 64 0.653 1
5 1 1 1 "RMS(OBS, PRED)" HA 82 0.334 1
6 1 1 1 "RMS(OBS, PRED)" N 64 3.349 1
7 1 2 1 "RMS(OBS, PRED)" C 66 1.057 1
8 1 2 1 "RMS(OBS, PRED)" CA 76 1.292 1
9 1 2 1 "RMS(OBS, PRED)" CB 72 1.151 1
10 1 2 1 "RMS(OBS, PRED)" H 64 0.701 1
11 1 2 1 "RMS(OBS, PRED)" HA 82 0.359 1
12 1 2 1 "RMS(OBS, PRED)" N 64 3.482 1
13 1 3 1 "RMS(OBS, PRED)" C 66 1.188 1
14 1 3 1 "RMS(OBS, PRED)" CA 76 1.368 1
15 1 3 1 "RMS(OBS, PRED)" CB 72 1.158 1
16 1 3 1 "RMS(OBS, PRED)" H 64 0.673 1
17 1 3 1 "RMS(OBS, PRED)" HA 82 0.335 1
18 1 3 1 "RMS(OBS, PRED)" N 64 3.320 1
19 1 4 1 "RMS(OBS, PRED)" C 66 0.975 1
20 1 4 1 "RMS(OBS, PRED)" CA 76 1.450 1
21 1 4 1 "RMS(OBS, PRED)" CB 72 1.249 1
22 1 4 1 "RMS(OBS, PRED)" H 64 0.647 1
23 1 4 1 "RMS(OBS, PRED)" HA 82 0.367 1
24 1 4 1 "RMS(OBS, PRED)" N 64 3.222 1
25 1 5 1 "RMS(OBS, PRED)" C 66 0.993 1
26 1 5 1 "RMS(OBS, PRED)" CA 76 1.343 1
27 1 5 1 "RMS(OBS, PRED)" CB 72 1.345 1
28 1 5 1 "RMS(OBS, PRED)" H 64 0.635 1
29 1 5 1 "RMS(OBS, PRED)" HA 82 0.342 1
30 1 5 1 "RMS(OBS, PRED)" N 64 3.258 1
31 1 6 1 "RMS(OBS, PRED)" C 66 0.988 1
32 1 6 1 "RMS(OBS, PRED)" CA 76 1.356 1
33 1 6 1 "RMS(OBS, PRED)" CB 72 1.249 1
34 1 6 1 "RMS(OBS, PRED)" H 64 0.633 1
35 1 6 1 "RMS(OBS, PRED)" HA 82 0.323 1
36 1 6 1 "RMS(OBS, PRED)" N 64 3.375 1
37 1 7 1 "RMS(OBS, PRED)" C 66 1.057 1
38 1 7 1 "RMS(OBS, PRED)" CA 76 1.328 1
39 1 7 1 "RMS(OBS, PRED)" CB 72 1.256 1
40 1 7 1 "RMS(OBS, PRED)" H 64 0.691 1
41 1 7 1 "RMS(OBS, PRED)" HA 82 0.371 1
42 1 7 1 "RMS(OBS, PRED)" N 64 3.546 1
43 1 8 1 "RMS(OBS, PRED)" C 66 1.129 1
44 1 8 1 "RMS(OBS, PRED)" CA 76 1.358 1
45 1 8 1 "RMS(OBS, PRED)" CB 72 1.372 1
46 1 8 1 "RMS(OBS, PRED)" H 64 0.652 1
47 1 8 1 "RMS(OBS, PRED)" HA 82 0.355 1
48 1 8 1 "RMS(OBS, PRED)" N 64 3.246 1
49 1 9 1 "RMS(OBS, PRED)" C 66 1.007 1
50 1 9 1 "RMS(OBS, PRED)" CA 76 1.339 1
51 1 9 1 "RMS(OBS, PRED)" CB 72 1.290 1
52 1 9 1 "RMS(OBS, PRED)" H 64 0.734 1
53 1 9 1 "RMS(OBS, PRED)" HA 82 0.359 1
54 1 9 1 "RMS(OBS, PRED)" N 64 3.267 1
55 1 10 1 "RMS(OBS, PRED)" C 66 1.005 1
56 1 10 1 "RMS(OBS, PRED)" CA 76 1.262 1
57 1 10 1 "RMS(OBS, PRED)" CB 72 1.142 1
58 1 10 1 "RMS(OBS, PRED)" H 64 0.638 1
59 1 10 1 "RMS(OBS, PRED)" HA 82 0.324 1
60 1 10 1 "RMS(OBS, PRED)" N 64 3.239 1
61 1 11 1 "RMS(OBS, PRED)" C 66 1.138 1
62 1 11 1 "RMS(OBS, PRED)" CA 76 1.401 1
63 1 11 1 "RMS(OBS, PRED)" CB 72 1.183 1
64 1 11 1 "RMS(OBS, PRED)" H 64 0.662 1
65 1 11 1 "RMS(OBS, PRED)" HA 82 0.362 1
66 1 11 1 "RMS(OBS, PRED)" N 64 3.463 1
67 1 12 1 "RMS(OBS, PRED)" C 66 1.117 1
68 1 12 1 "RMS(OBS, PRED)" CA 76 1.315 1
69 1 12 1 "RMS(OBS, PRED)" CB 72 1.205 1
70 1 12 1 "RMS(OBS, PRED)" H 64 0.680 1
71 1 12 1 "RMS(OBS, PRED)" HA 82 0.337 1
72 1 12 1 "RMS(OBS, PRED)" N 64 3.301 1
73 1 13 1 "RMS(OBS, PRED)" C 66 1.084 1
74 1 13 1 "RMS(OBS, PRED)" CA 76 1.386 1
75 1 13 1 "RMS(OBS, PRED)" CB 72 1.252 1
76 1 13 1 "RMS(OBS, PRED)" H 64 0.644 1
77 1 13 1 "RMS(OBS, PRED)" HA 82 0.335 1
78 1 13 1 "RMS(OBS, PRED)" N 64 3.318 1
79 1 14 1 "RMS(OBS, PRED)" C 66 1.015 1
80 1 14 1 "RMS(OBS, PRED)" CA 76 1.321 1
81 1 14 1 "RMS(OBS, PRED)" CB 72 1.163 1
82 1 14 1 "RMS(OBS, PRED)" H 64 0.611 1
83 1 14 1 "RMS(OBS, PRED)" HA 82 0.337 1
84 1 14 1 "RMS(OBS, PRED)" N 64 3.323 1
85 1 15 1 "RMS(OBS, PRED)" C 66 1.031 1
86 1 15 1 "RMS(OBS, PRED)" CA 76 1.353 1
87 1 15 1 "RMS(OBS, PRED)" CB 72 1.155 1
88 1 15 1 "RMS(OBS, PRED)" H 64 0.632 1
89 1 15 1 "RMS(OBS, PRED)" HA 82 0.356 1
90 1 15 1 "RMS(OBS, PRED)" N 64 3.328 1
91 1 16 1 "RMS(OBS, PRED)" C 66 1.079 1
92 1 16 1 "RMS(OBS, PRED)" CA 76 1.319 1
93 1 16 1 "RMS(OBS, PRED)" CB 72 1.271 1
94 1 16 1 "RMS(OBS, PRED)" H 64 0.671 1
95 1 16 1 "RMS(OBS, PRED)" HA 82 0.368 1
96 1 16 1 "RMS(OBS, PRED)" N 64 3.356 1
97 1 17 1 "RMS(OBS, PRED)" C 66 1.077 1
98 1 17 1 "RMS(OBS, PRED)" CA 76 1.304 1
99 1 17 1 "RMS(OBS, PRED)" CB 72 1.215 1
100 1 17 1 "RMS(OBS, PRED)" H 64 0.631 1
101 1 17 1 "RMS(OBS, PRED)" HA 82 0.330 1
102 1 17 1 "RMS(OBS, PRED)" N 64 3.274 1
103 1 18 1 "RMS(OBS, PRED)" C 66 0.956 1
104 1 18 1 "RMS(OBS, PRED)" CA 76 1.316 1
105 1 18 1 "RMS(OBS, PRED)" CB 72 1.222 1
106 1 18 1 "RMS(OBS, PRED)" H 64 0.680 1
107 1 18 1 "RMS(OBS, PRED)" HA 82 0.339 1
108 1 18 1 "RMS(OBS, PRED)" N 64 3.579 1
109 1 19 1 "RMS(OBS, PRED)" C 66 1.119 1
110 1 19 1 "RMS(OBS, PRED)" CA 76 1.428 1
111 1 19 1 "RMS(OBS, PRED)" CB 72 1.341 1
112 1 19 1 "RMS(OBS, PRED)" H 64 0.656 1
113 1 19 1 "RMS(OBS, PRED)" HA 82 0.369 1
114 1 19 1 "RMS(OBS, PRED)" N 64 3.219 1
115 1 20 1 "RMS(OBS, PRED)" C 66 1.091 1
116 1 20 1 "RMS(OBS, PRED)" CA 76 1.366 1
117 1 20 1 "RMS(OBS, PRED)" CB 72 1.287 1
118 1 20 1 "RMS(OBS, PRED)" H 64 0.636 1
119 1 20 1 "RMS(OBS, PRED)" HA 82 0.323 1
120 1 20 1 "RMS(OBS, PRED)" N 64 3.488 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 8 8 ARG HA H 8 4.432 4.644 -0.212 2
1 7 . 1 1 A 8 8 ARG CA C 8 56.069 55.524 0.545 2
1 8 . 1 1 A 8 8 ARG CB C 8 30.974 31.506 -0.532 2
1 14 . 1 1 A 9 9 THR CB C 9 69.816 69.787 0.029 2
1 16 . 1 1 A 10 10 HIS HA H 10 4.730 4.969 -0.239 2
1 21 . 1 1 A 10 10 HIS CA C 10 56.345 55.065 1.280 2
1 22 . 1 1 A 10 10 HIS CB C 10 31.058 31.334 -0.276 2
1 28 . 1 1 A 11 11 THR CB C 11 69.816 70.348 -0.532 2
1 30 . 1 1 A 12 12 GLY HA2 H 12 3.978 4.100 -0.122 2
1 31 . 1 1 A 12 12 GLY HA3 H 12 3.978 4.125 -0.146 2
1 32 . 1 1 A 12 12 GLY CA C 12 45.442 45.398 0.044 2
1 33 . 1 1 A 13 13 GLU H H 13 8.243 8.438 -0.195 2
1 34 . 1 1 A 13 13 GLU HA H 13 4.235 4.719 -0.484 2
1 39 . 1 1 A 13 13 GLU CA C 13 56.898 55.569 1.329 2
1 40 . 1 1 A 13 13 GLU CB C 13 30.495 31.614 -1.119 2
1 42 . 1 1 A 13 13 GLU N N 13 120.364 120.144 0.220 2
1 43 . 1 1 A 14 14 LYS H H 14 8.276 8.417 -0.141 2
1 44 . 1 1 A 14 14 LYS HA H 14 4.528 4.812 -0.284 2
1 53 . 1 1 A 14 14 LYS CA C 14 54.009 53.577 0.432 2
1 54 . 1 1 A 14 14 LYS CB C 14 32.667 33.294 -0.627 2
1 58 . 1 1 A 14 14 LYS N N 14 121.981 123.547 -1.566 2
1 59 . 1 1 A 15 15 PRO HA H 15 4.347 4.398 -0.051 2
1 66 . 1 1 A 15 15 PRO CA C 15 63.237 64.808 -1.571 2
1 67 . 1 1 A 15 15 PRO CB C 15 32.365 31.774 0.591 2
1 70 . 1 1 A 16 16 TYR H H 16 8.234 7.628 0.606 2
1 71 . 1 1 A 16 16 TYR HA H 16 4.508 4.745 -0.237 2
1 78 . 1 1 A 16 16 TYR C C 16 174.453 174.852 -0.399 2
1 79 . 1 1 A 16 16 TYR CA C 16 58.076 57.313 0.763 2
1 80 . 1 1 A 16 16 TYR CB C 16 38.346 38.124 0.222 2
1 85 . 1 1 A 16 16 TYR N N 16 118.751 117.951 0.800 2
1 86 . 1 1 A 17 17 ALA H H 17 8.567 9.041 -0.474 2
1 87 . 1 1 A 17 17 ALA HA H 17 4.754 5.317 -0.563 2
1 91 . 1 1 A 17 17 ALA C C 17 176.249 176.683 -0.434 2
1 92 . 1 1 A 17 17 ALA CA C 17 51.274 50.515 0.759 2
1 93 . 1 1 A 17 17 ALA CB C 17 20.625 21.072 -0.447 2
1 94 . 1 1 A 17 17 ALA N N 17 127.897 127.927 -0.030 2
1 95 . 1 1 A 18 18 CYS H H 18 8.464 9.080 -0.616 2
1 96 . 1 1 A 18 18 CYS HA H 18 4.538 4.535 0.003 2
1 99 . 1 1 A 18 18 CYS C C 18 175.739 175.596 0.143 2
1 100 . 1 1 A 18 18 CYS CA C 18 60.966 60.149 0.817 2
1 101 . 1 1 A 18 18 CYS CB C 18 29.435 28.773 0.662 2
1 102 . 1 1 A 18 18 CYS N N 18 125.366 123.146 2.220 2
1 103 . 1 1 A 19 19 SER H H 19 8.439 9.144 -0.705 2
1 104 . 1 1 A 19 19 SER HA H 19 4.426 4.419 0.007 2
1 107 . 1 1 A 19 19 SER C C 19 175.890 176.695 -0.805 2
1 108 . 1 1 A 19 19 SER CA C 19 60.085 61.459 -1.374 2
1 109 . 1 1 A 19 19 SER CB C 19 64.097 63.562 0.535 2
1 110 . 1 1 A 19 19 SER N N 19 121.912 121.802 0.110 2
1 111 . 1 1 A 20 20 HIS H H 20 9.949 8.277 1.672 2
1 112 . 1 1 A 20 20 HIS HA H 20 4.579 4.409 0.170 2
1 117 . 1 1 A 20 20 HIS C C 20 174.670 175.600 -0.930 2
1 118 . 1 1 A 20 20 HIS CA C 20 57.354 58.729 -1.375 2
1 119 . 1 1 A 20 20 HIS CB C 20 30.787 29.441 1.346 2
1 122 . 1 1 A 20 20 HIS N N 20 126.154 118.896 7.258 2
1 123 . 1 1 A 21 21 CYS H H 21 7.972 8.076 -0.104 2
1 124 . 1 1 A 21 21 CYS HA H 21 4.947 4.921 0.026 2
1 127 . 1 1 A 21 21 CYS C C 21 172.879 173.803 -0.924 2
1 128 . 1 1 A 21 21 CYS CA C 21 58.891 56.696 2.195 2
1 129 . 1 1 A 21 21 CYS CB C 21 29.766 30.708 -0.942 2
1 130 . 1 1 A 21 21 CYS N N 21 119.638 114.870 4.768 2
1 131 . 1 1 A 22 22 ASP H H 22 8.167 8.731 -0.564 2
1 132 . 1 1 A 22 22 ASP HA H 22 4.668 4.851 -0.183 2
1 135 . 1 1 A 22 22 ASP C C 22 176.857 175.014 1.843 2
1 136 . 1 1 A 22 22 ASP CA C 22 54.587 53.124 1.463 2
1 137 . 1 1 A 22 22 ASP CB C 22 40.758 40.309 0.449 2
1 138 . 1 1 A 22 22 ASP N N 22 115.180 121.690 -6.510 2
1 139 . 1 1 A 23 23 LYS H H 23 8.407 7.627 0.780 2
1 140 . 1 1 A 23 23 LYS HA H 23 4.085 4.631 -0.547 2
1 148 . 1 1 A 23 23 LYS C C 23 175.732 175.896 -0.164 2
1 149 . 1 1 A 23 23 LYS CA C 23 57.537 54.696 2.841 2
1 150 . 1 1 A 23 23 LYS CB C 23 33.593 34.752 -1.159 2
1 154 . 1 1 A 23 23 LYS N N 23 122.302 120.853 1.449 2
1 155 . 1 1 A 24 24 THR H H 24 7.462 8.432 -0.970 2
1 156 . 1 1 A 24 24 THR HA H 24 5.018 5.503 -0.485 2
1 161 . 1 1 A 24 24 THR C C 24 173.047 172.782 0.265 2
1 162 . 1 1 A 24 24 THR CA C 24 59.500 59.010 0.490 2
1 163 . 1 1 A 24 24 THR CB C 24 71.795 72.141 -0.346 2
1 165 . 1 1 A 24 24 THR N N 24 110.405 111.863 -1.458 2
1 166 . 1 1 A 25 25 PHE H H 25 8.750 8.900 -0.150 2
1 167 . 1 1 A 25 25 PHE HA H 25 4.886 4.917 -0.031 2
1 175 . 1 1 A 25 25 PHE C C 25 175.982 175.708 0.274 2
1 176 . 1 1 A 25 25 PHE CA C 25 57.301 56.460 0.841 2
1 177 . 1 1 A 25 25 PHE CB C 25 44.782 43.297 1.485 2
1 183 . 1 1 A 25 25 PHE N N 25 116.161 117.946 -1.785 2
1 184 . 1 1 A 26 26 ARG HA H 26 4.550 4.357 0.193 2
1 191 . 1 1 A 26 26 ARG C C 26 175.820 176.181 -0.361 2
1 192 . 1 1 A 26 26 ARG CA C 26 57.830 58.600 -0.770 2
1 193 . 1 1 A 26 26 ARG CB C 26 31.465 30.536 0.929 2
1 196 . 1 1 A 27 27 GLN H H 27 7.052 7.821 -0.769 2
1 197 . 1 1 A 27 27 GLN HA H 27 4.820 4.374 0.446 2
1 204 . 1 1 A 27 27 GLN C C 27 175.929 175.860 0.069 2
1 205 . 1 1 A 27 27 GLN CA C 27 53.971 54.603 -0.632 2
1 206 . 1 1 A 27 27 GLN CB C 27 32.968 30.385 2.583 2
1 208 . 1 1 A 27 27 GLN N N 27 111.833 118.291 -6.458 2
1 210 . 1 1 A 28 28 LYS H H 28 8.616 8.190 0.426 2
1 211 . 1 1 A 28 28 LYS HA H 28 3.013 3.300 -0.287 2
1 220 . 1 1 A 28 28 LYS C C 28 177.891 177.995 -0.104 2
1 221 . 1 1 A 28 28 LYS CA C 28 59.351 59.467 -0.116 2
1 222 . 1 1 A 28 28 LYS CB C 28 31.901 31.811 0.090 2
1 226 . 1 1 A 28 28 LYS N N 28 127.969 124.328 3.641 2
1 227 . 1 1 A 29 29 GLN H H 29 9.039 7.745 1.294 2
1 228 . 1 1 A 29 29 GLN HA H 29 4.110 3.917 0.193 2
1 235 . 1 1 A 29 29 GLN C C 29 178.275 178.255 0.020 2
1 236 . 1 1 A 29 29 GLN CA C 29 59.073 58.703 0.370 2
1 237 . 1 1 A 29 29 GLN CB C 29 27.673 28.302 -0.629 2
1 239 . 1 1 A 29 29 GLN N N 29 116.426 118.697 -2.271 2
1 241 . 1 1 A 30 30 LEU H H 30 6.687 7.774 -1.087 2
1 242 . 1 1 A 30 30 LEU HA H 30 4.105 3.842 0.263 2
1 252 . 1 1 A 30 30 LEU C C 30 179.455 178.786 0.669 2
1 253 . 1 1 A 30 30 LEU CA C 30 56.878 57.551 -0.673 2
1 254 . 1 1 A 30 30 LEU CB C 30 41.552 41.735 -0.183 2
1 258 . 1 1 A 30 30 LEU N N 30 116.469 119.737 -3.268 2
1 259 . 1 1 A 31 31 LEU H H 31 6.875 7.481 -0.606 2
1 260 . 1 1 A 31 31 LEU HA H 31 3.174 2.551 0.623 2
1 270 . 1 1 A 31 31 LEU C C 31 177.599 177.947 -0.348 2
1 271 . 1 1 A 31 31 LEU CA C 31 57.829 57.008 0.821 2
1 272 . 1 1 A 31 31 LEU CB C 31 39.945 40.829 -0.884 2
1 276 . 1 1 A 31 31 LEU N N 31 122.863 119.326 3.537 2
1 277 . 1 1 A 32 32 ASP H H 32 8.429 8.073 0.356 2
1 278 . 1 1 A 32 32 ASP HA H 32 4.356 4.241 0.115 2
1 281 . 1 1 A 32 32 ASP C C 32 179.142 178.094 1.048 2
1 282 . 1 1 A 32 32 ASP CA C 32 57.830 57.114 0.716 2
1 283 . 1 1 A 32 32 ASP CB C 32 39.978 40.965 -0.987 2
1 284 . 1 1 A 32 32 ASP N N 32 120.350 119.071 1.279 2
1 285 . 1 1 A 33 33 MET H H 33 7.738 8.302 -0.564 2
1 286 . 1 1 A 33 33 MET HA H 33 4.167 3.740 0.427 2
1 294 . 1 1 A 33 33 MET C C 33 178.463 178.027 0.436 2
1 295 . 1 1 A 33 33 MET CA C 33 58.454 57.866 0.588 2
1 296 . 1 1 A 33 33 MET CB C 33 32.924 32.136 0.788 2
1 299 . 1 1 A 33 33 MET N N 33 118.109 118.603 -0.494 2
1 300 . 1 1 A 34 34 HIS H H 34 7.632 8.052 -0.420 2
1 301 . 1 1 A 34 34 HIS HA H 34 4.396 4.236 0.160 2
1 306 . 1 1 A 34 34 HIS C C 34 176.258 176.746 -0.488 2
1 307 . 1 1 A 34 34 HIS CA C 34 59.715 59.136 0.579 2
1 308 . 1 1 A 34 34 HIS CB C 34 28.594 29.799 -1.205 2
1 311 . 1 1 A 34 34 HIS N N 34 120.242 120.706 -0.464 2
1 312 . 1 1 A 35 35 PHE H H 35 9.373 7.893 1.480 2
1 313 . 1 1 A 35 35 PHE HA H 35 3.726 3.902 -0.176 2
1 321 . 1 1 A 35 35 PHE C C 35 178.043 177.311 0.732 2
1 322 . 1 1 A 35 35 PHE CA C 35 62.870 61.200 1.671 2
1 323 . 1 1 A 35 35 PHE CB C 35 39.846 39.233 0.613 2
1 329 . 1 1 A 35 35 PHE N N 35 121.691 120.194 1.497 2
1 330 . 1 1 A 36 36 LYS H H 36 7.861 7.890 -0.029 2
1 331 . 1 1 A 36 36 LYS HA H 36 4.139 4.463 -0.324 2
1 340 . 1 1 A 36 36 LYS C C 36 176.843 178.437 -1.594 2
1 341 . 1 1 A 36 36 LYS CA C 36 58.198 58.518 -0.320 2
1 342 . 1 1 A 36 36 LYS CB C 36 32.906 32.312 0.594 2
1 346 . 1 1 A 36 36 LYS N N 36 118.022 118.005 0.017 2
1 347 . 1 1 A 37 37 ARG H H 37 7.298 7.731 -0.433 2
1 348 . 1 1 A 37 37 ARG HA H 37 3.717 4.358 -0.641 2
1 355 . 1 1 A 37 37 ARG C C 37 177.872 178.349 -0.477 2
1 356 . 1 1 A 37 37 ARG CA C 37 57.874 58.207 -0.333 2
1 357 . 1 1 A 37 37 ARG CB C 37 30.619 30.912 -0.293 2
1 360 . 1 1 A 37 37 ARG N N 37 114.740 120.415 -5.675 2
1 361 . 1 1 A 38 38 TYR H H 38 7.779 8.399 -0.620 2
1 362 . 1 1 A 38 38 TYR HA H 38 4.146 4.157 -0.011 2
1 369 . 1 1 A 38 38 TYR C C 38 176.160 178.544 -2.384 2
1 370 . 1 1 A 38 38 TYR CA C 38 59.941 60.153 -0.212 2
1 371 . 1 1 A 38 38 TYR CB C 38 38.516 38.043 0.473 2
1 376 . 1 1 A 38 38 TYR N N 38 112.257 118.846 -6.589 2
1 377 . 1 1 A 39 39 HIS H H 39 7.679 7.689 -0.010 2
1 378 . 1 1 A 39 39 HIS HA H 39 4.943 4.415 0.528 2
1 383 . 1 1 A 39 39 HIS C C 39 173.845 174.997 -1.152 2
1 384 . 1 1 A 39 39 HIS CA C 39 54.045 58.347 -4.302 2
1 385 . 1 1 A 39 39 HIS CB C 39 29.490 29.043 0.447 2
1 388 . 1 1 A 39 39 HIS N N 39 114.679 116.694 -2.015 2
1 389 . 1 1 A 40 40 ASP H H 40 7.317 7.603 -0.286 2
1 390 . 1 1 A 40 40 ASP HA H 40 4.800 4.935 -0.135 2
1 393 . 1 1 A 40 40 ASP C C 40 175.035 174.974 0.061 2
1 394 . 1 1 A 40 40 ASP CA C 40 51.697 50.647 1.050 2
1 395 . 1 1 A 40 40 ASP CB C 40 42.630 43.269 -0.639 2
1 396 . 1 1 A 40 40 ASP N N 40 119.125 118.079 1.046 2
1 397 . 1 1 A 41 41 PRO HA H 41 4.552 4.396 0.156 2
1 404 . 1 1 A 41 41 PRO C C 41 177.331 177.713 -0.382 2
1 405 . 1 1 A 41 41 PRO CA C 41 64.019 64.055 -0.036 2
1 406 . 1 1 A 41 41 PRO CB C 41 32.235 31.872 0.363 2
1 409 . 1 1 A 42 42 ASN H H 42 8.484 8.720 -0.236 2
1 410 . 1 1 A 42 42 ASN HA H 42 4.703 4.544 0.159 2
1 415 . 1 1 A 42 42 ASN C C 42 174.879 176.556 -1.677 2
1 416 . 1 1 A 42 42 ASN CA C 42 53.371 56.401 -3.030 2
1 417 . 1 1 A 42 42 ASN CB C 42 39.009 38.541 0.468 2
1 418 . 1 1 A 42 42 ASN N N 42 116.107 116.871 -0.764 2
1 420 . 1 1 A 43 43 PHE H H 43 7.741 7.680 0.061 2
1 421 . 1 1 A 43 43 PHE HA H 43 4.448 4.447 0.002 2
1 429 . 1 1 A 43 43 PHE CA C 43 58.640 59.782 -1.142 2
1 430 . 1 1 A 43 43 PHE CB C 43 40.203 39.781 0.422 2
1 436 . 1 1 A 43 43 PHE N N 43 121.284 118.751 2.534 2
1 437 . 1 1 A 44 44 VAL H H 44 7.718 8.184 -0.466 2
1 438 . 1 1 A 44 44 VAL HA H 44 4.221 4.779 -0.558 2
1 446 . 1 1 A 44 44 VAL C C 44 173.190 173.551 -0.361 2
1 447 . 1 1 A 44 44 VAL CA C 44 59.177 58.467 0.710 2
1 448 . 1 1 A 44 44 VAL CB C 44 33.260 34.720 -1.460 2
1 451 . 1 1 A 44 44 VAL N N 44 126.832 126.424 0.408 2
1 452 . 1 1 A 45 45 PRO HA H 45 4.114 4.706 -0.592 2
1 459 . 1 1 A 45 45 PRO C C 45 176.031 177.061 -1.030 2
1 460 . 1 1 A 45 45 PRO CA C 45 62.732 62.442 0.290 2
1 461 . 1 1 A 45 45 PRO CB C 45 32.197 32.488 -0.291 2
1 464 . 1 1 A 46 46 ALA H H 46 8.199 8.388 -0.189 2
1 465 . 1 1 A 46 46 ALA HA H 46 4.161 4.506 -0.345 2
1 469 . 1 1 A 46 46 ALA C C 46 176.631 176.626 0.005 2
1 470 . 1 1 A 46 46 ALA CA C 46 52.105 52.254 -0.148 2
1 471 . 1 1 A 46 46 ALA CB C 46 19.315 19.473 -0.158 2
1 472 . 1 1 A 46 46 ALA N N 46 124.122 125.305 -1.183 2
1 473 . 1 1 A 47 47 ALA H H 47 7.755 8.728 -0.973 2
1 474 . 1 1 A 47 47 ALA HA H 47 4.218 5.145 -0.927 2
1 478 . 1 1 A 47 47 ALA C C 47 176.322 175.609 0.713 2
1 479 . 1 1 A 47 47 ALA CA C 47 52.140 50.475 1.665 2
1 480 . 1 1 A 47 47 ALA CB C 47 20.283 20.036 0.247 2
1 481 . 1 1 A 47 47 ALA N N 47 121.689 126.953 -5.264 2
1 482 . 1 1 A 48 48 PHE H H 48 8.323 8.981 -0.658 2
1 483 . 1 1 A 48 48 PHE HA H 48 4.782 5.134 -0.352 2
1 491 . 1 1 A 48 48 PHE C C 48 174.258 174.506 -0.248 2
1 492 . 1 1 A 48 48 PHE CA C 48 57.108 56.767 0.341 2
1 493 . 1 1 A 48 48 PHE CB C 48 40.615 41.018 -0.403 2
1 499 . 1 1 A 48 48 PHE N N 48 118.583 122.418 -3.835 2
1 500 . 1 1 A 49 49 VAL H H 49 8.584 9.142 -0.558 2
1 501 . 1 1 A 49 49 VAL HA H 49 4.829 5.097 -0.268 2
1 509 . 1 1 A 49 49 VAL C C 49 175.667 175.423 0.244 2
1 510 . 1 1 A 49 49 VAL CA C 49 60.508 60.929 -0.421 2
1 511 . 1 1 A 49 49 VAL CB C 49 35.158 34.012 1.146 2
1 514 . 1 1 A 49 49 VAL N N 49 123.555 123.520 0.035 2
1 515 . 1 1 A 50 50 CYS H H 50 9.170 9.214 -0.044 2
1 516 . 1 1 A 50 50 CYS HA H 50 4.593 4.579 0.014 2
1 519 . 1 1 A 50 50 CYS C C 50 177.661 175.404 2.257 2
1 520 . 1 1 A 50 50 CYS CA C 50 59.909 59.674 0.235 2
1 521 . 1 1 A 50 50 CYS CB C 50 30.835 28.715 2.120 2
1 522 . 1 1 A 50 50 CYS N N 50 128.866 127.293 1.573 2
1 523 . 1 1 A 51 51 SER H H 51 9.205 8.878 0.327 2
1 524 . 1 1 A 51 51 SER HA H 51 4.271 4.620 -0.349 2
1 527 . 1 1 A 51 51 SER C C 51 174.401 175.448 -1.047 2
1 528 . 1 1 A 51 51 SER CA C 51 60.890 58.870 2.020 2
1 529 . 1 1 A 51 51 SER CB C 51 63.231 64.432 -1.201 2
1 530 . 1 1 A 51 51 SER N N 51 128.162 120.735 7.427 2
1 531 . 1 1 A 52 52 LYS H H 52 9.118 7.716 1.401 2
1 532 . 1 1 A 52 52 LYS HA H 52 4.421 4.242 0.179 2
1 541 . 1 1 A 52 52 LYS C C 52 177.831 178.091 -0.260 2
1 542 . 1 1 A 52 52 LYS CA C 52 58.535 58.459 0.076 2
1 543 . 1 1 A 52 52 LYS CB C 52 34.152 33.219 0.933 2
1 547 . 1 1 A 52 52 LYS N N 52 123.970 120.145 3.825 2
1 548 . 1 1 A 53 53 CYS H H 53 8.241 8.138 0.103 2
1 549 . 1 1 A 53 53 CYS HA H 53 4.999 4.646 0.353 2
1 552 . 1 1 A 53 53 CYS C C 53 176.529 175.476 1.053 2
1 553 . 1 1 A 53 53 CYS CA C 53 58.587 59.663 -1.075 2
1 554 . 1 1 A 53 53 CYS CB C 53 33.353 29.715 3.638 2
1 555 . 1 1 A 53 53 CYS N N 53 115.684 114.412 1.272 2
1 556 . 1 1 A 54 54 GLY H H 54 8.290 8.220 0.070 2
1 557 . 1 1 A 54 54 GLY HA2 H 54 4.226 4.079 0.147 2
1 558 . 1 1 A 54 54 GLY HA3 H 54 3.733 4.100 -0.367 2
1 559 . 1 1 A 54 54 GLY C C 54 173.761 174.507 -0.746 2
1 560 . 1 1 A 54 54 GLY CA C 54 46.147 45.330 0.817 2
1 561 . 1 1 A 54 54 GLY N N 54 113.723 110.401 3.322 2
1 562 . 1 1 A 55 55 LYS H H 55 8.598 7.577 1.021 2
1 563 . 1 1 A 55 55 LYS HA H 55 4.074 4.518 -0.444 2
1 572 . 1 1 A 55 55 LYS C C 55 174.748 176.165 -1.417 2
1 573 . 1 1 A 55 55 LYS CA C 55 58.270 55.627 2.643 2
1 574 . 1 1 A 55 55 LYS CB C 55 33.778 34.066 -0.288 2
1 578 . 1 1 A 55 55 LYS N N 55 124.175 120.041 4.134 2
1 579 . 1 1 A 56 56 THR H H 56 7.708 8.468 -0.760 2
1 580 . 1 1 A 56 56 THR HA H 56 5.028 5.256 -0.228 2
1 585 . 1 1 A 56 56 THR C C 56 173.673 173.707 -0.034 2
1 586 . 1 1 A 56 56 THR CA C 56 60.779 60.293 0.486 2
1 587 . 1 1 A 56 56 THR CB C 56 70.823 70.793 0.030 2
1 589 . 1 1 A 56 56 THR N N 56 113.091 112.950 0.141 2
1 590 . 1 1 A 57 57 PHE H H 57 8.944 8.986 -0.042 2
1 591 . 1 1 A 57 57 PHE HA H 57 4.850 4.949 -0.099 2
1 599 . 1 1 A 57 57 PHE C C 57 175.764 175.688 0.077 2
1 600 . 1 1 A 57 57 PHE CA C 57 56.949 56.511 0.438 2
1 601 . 1 1 A 57 57 PHE CB C 57 43.729 43.124 0.605 2
1 607 . 1 1 A 57 57 PHE N N 57 119.958 119.917 0.041 2
1 608 . 1 1 A 58 58 THR HA H 58 4.629 4.603 0.026 2
1 613 . 1 1 A 58 58 THR CA C 58 62.738 63.260 -0.522 2
1 614 . 1 1 A 58 58 THR CB C 58 69.810 69.557 0.253 2
1 616 . 1 1 A 59 59 ARG H H 59 7.422 7.829 -0.407 2
1 617 . 1 1 A 59 59 ARG HA H 59 4.740 4.632 0.108 2
1 624 . 1 1 A 59 59 ARG CA C 59 54.724 54.332 0.392 2
1 625 . 1 1 A 59 59 ARG CB C 59 33.659 32.971 0.688 2
1 628 . 1 1 A 59 59 ARG N N 59 118.359 120.596 -2.237 2
1 629 . 1 1 A 60 60 ARG HA H 60 2.949 3.123 -0.174 2
1 636 . 1 1 A 60 60 ARG CA C 60 59.468 58.927 0.541 2
1 637 . 1 1 A 60 60 ARG CB C 60 29.732 29.352 0.380 2
1 640 . 1 1 A 61 61 ASN HA H 61 4.332 4.303 0.029 2
1 645 . 1 1 A 61 61 ASN C C 61 177.497 177.891 -0.394 2
1 646 . 1 1 A 61 61 ASN CA C 61 56.212 56.230 -0.018 2
1 647 . 1 1 A 61 61 ASN CB C 61 37.142 38.232 -1.090 2
1 649 . 1 1 A 62 62 THR H H 62 7.076 8.073 -0.997 2
1 650 . 1 1 A 62 62 THR HA H 62 3.893 3.831 0.062 2
1 655 . 1 1 A 62 62 THR C C 62 176.684 175.766 0.918 2
1 656 . 1 1 A 62 62 THR CA C 62 65.025 67.092 -2.067 2
1 657 . 1 1 A 62 62 THR CB C 62 68.112 68.290 -0.178 2
1 659 . 1 1 A 62 62 THR N N 62 115.050 115.258 -0.208 2
1 660 . 1 1 A 63 63 MET H H 63 7.149 8.001 -0.852 2
1 661 . 1 1 A 63 63 MET HA H 63 2.545 3.077 -0.532 2
1 669 . 1 1 A 63 63 MET C C 63 176.978 177.626 -0.648 2
1 670 . 1 1 A 63 63 MET CA C 63 58.791 57.903 0.888 2
1 671 . 1 1 A 63 63 MET CB C 63 31.556 31.806 -0.250 2
1 674 . 1 1 A 63 63 MET N N 63 122.700 119.748 2.952 2
1 675 . 1 1 A 64 64 ALA H H 64 8.383 8.370 0.013 2
1 676 . 1 1 A 64 64 ALA HA H 64 3.944 3.935 0.009 2
1 680 . 1 1 A 64 64 ALA C C 64 179.879 179.979 -0.100 2
1 681 . 1 1 A 64 64 ALA CA C 64 55.324 55.307 0.017 2
1 682 . 1 1 A 64 64 ALA CB C 64 18.033 18.444 -0.411 2
1 683 . 1 1 A 64 64 ALA N N 64 122.001 121.246 0.755 2
1 684 . 1 1 A 65 65 ARG H H 65 7.574 7.939 -0.365 2
1 685 . 1 1 A 65 65 ARG HA H 65 4.139 4.004 0.135 2
1 692 . 1 1 A 65 65 ARG C C 65 178.946 178.810 0.135 2
1 693 . 1 1 A 65 65 ARG CA C 65 58.182 59.423 -1.241 2
1 694 . 1 1 A 65 65 ARG CB C 65 30.153 29.770 0.383 2
1 697 . 1 1 A 65 65 ARG N N 65 116.551 117.617 -1.066 2
1 698 . 1 1 A 66 66 HIS H H 66 7.455 8.040 -0.585 2
1 699 . 1 1 A 66 66 HIS HA H 66 4.271 4.275 -0.004 2
1 704 . 1 1 A 66 66 HIS C C 66 177.633 176.716 0.917 2
1 705 . 1 1 A 66 66 HIS CA C 66 59.046 59.724 -0.678 2
1 706 . 1 1 A 66 66 HIS CB C 66 27.820 29.499 -1.679 2
1 709 . 1 1 A 66 66 HIS N N 66 118.483 119.764 -1.281 2
1 710 . 1 1 A 67 67 ALA H H 67 8.869 8.101 0.768 2
1 711 . 1 1 A 67 67 ALA HA H 67 3.968 3.700 0.268 2
1 715 . 1 1 A 67 67 ALA C C 67 179.374 179.044 0.330 2
1 716 . 1 1 A 67 67 ALA CA C 67 55.186 55.081 0.105 2
1 717 . 1 1 A 67 67 ALA CB C 67 18.851 18.231 0.620 2
1 718 . 1 1 A 67 67 ALA N N 67 122.114 120.657 1.457 2
1 719 . 1 1 A 68 68 ASP H H 68 7.476 7.956 -0.480 2
1 720 . 1 1 A 68 68 ASP HA H 68 4.401 4.245 0.156 2
1 723 . 1 1 A 68 68 ASP C C 68 176.580 178.206 -1.626 2
1 724 . 1 1 A 68 68 ASP CA C 68 56.772 57.633 -0.861 2
1 725 . 1 1 A 68 68 ASP CB C 68 40.945 40.828 0.117 2
1 726 . 1 1 A 68 68 ASP N N 68 116.466 118.906 -2.441 2
1 727 . 1 1 A 69 69 ASN H H 69 7.227 7.445 -0.218 2
1 728 . 1 1 A 69 69 ASN HA H 69 4.905 4.691 0.214 2
1 733 . 1 1 A 69 69 ASN C C 69 173.603 175.158 -1.555 2
1 734 . 1 1 A 69 69 ASN CA C 69 52.518 54.156 -1.638 2
1 735 . 1 1 A 69 69 ASN CB C 69 40.657 38.686 1.971 2
1 736 . 1 1 A 69 69 ASN N N 69 114.158 114.730 -0.572 2
1 738 . 1 1 A 70 70 CYS H H 70 7.201 7.345 -0.144 2
1 739 . 1 1 A 70 70 CYS HA H 70 3.902 4.280 -0.378 2
1 742 . 1 1 A 70 70 CYS C C 70 175.424 174.354 1.070 2
1 743 . 1 1 A 70 70 CYS CA C 70 61.195 58.956 2.239 2
1 744 . 1 1 A 70 70 CYS CB C 70 29.288 28.610 0.678 2
1 745 . 1 1 A 70 70 CYS N N 70 124.154 119.481 4.673 2
1 746 . 1 1 A 71 71 ALA H H 71 8.783 8.746 0.037 2
1 747 . 1 1 A 71 71 ALA HA H 71 4.562 4.485 0.077 2
1 751 . 1 1 A 71 71 ALA C C 71 177.513 177.099 0.414 2
1 752 . 1 1 A 71 71 ALA CA C 71 51.926 52.431 -0.505 2
1 753 . 1 1 A 71 71 ALA CB C 71 19.698 20.895 -1.197 2
1 754 . 1 1 A 71 71 ALA N N 71 131.493 126.049 5.444 2
1 755 . 1 1 A 72 72 GLY H H 72 8.645 7.429 1.216 2
1 756 . 1 1 A 72 72 GLY HA2 H 72 4.469 4.110 0.359 2
1 757 . 1 1 A 72 72 GLY HA3 H 72 3.628 4.117 -0.489 2
1 758 . 1 1 A 72 72 GLY C C 72 171.320 172.353 -1.033 2
1 759 . 1 1 A 72 72 GLY CA C 72 44.286 44.616 -0.330 2
1 760 . 1 1 A 72 72 GLY N N 72 110.083 103.403 6.680 2
1 761 . 1 1 A 73 73 PRO HA H 73 4.470 4.682 -0.212 2
1 768 . 1 1 A 73 73 PRO C C 73 176.905 176.001 0.904 2
1 769 . 1 1 A 73 73 PRO CA C 73 63.706 62.986 0.720 2
1 770 . 1 1 A 73 73 PRO CB C 73 32.344 31.965 0.379 2
1 773 . 1 1 A 74 74 ASP H H 74 8.506 8.552 -0.046 2
1 774 . 1 1 A 74 74 ASP HA H 74 4.659 4.830 -0.171 2
1 777 . 1 1 A 74 74 ASP C C 74 176.869 175.770 1.099 2
1 778 . 1 1 A 74 74 ASP CA C 74 54.617 54.115 0.502 2
1 779 . 1 1 A 74 74 ASP CB C 74 41.335 42.414 -1.079 2
1 780 . 1 1 A 74 74 ASP N N 74 120.155 120.154 0.000 2
1 781 . 1 1 A 75 75 GLY H H 75 8.257 8.210 0.047 2
1 782 . 1 1 A 75 75 GLY HA2 H 75 4.072 4.069 0.003 2
1 783 . 1 1 A 75 75 GLY HA3 H 75 3.965 4.071 -0.106 2
1 784 . 1 1 A 75 75 GLY C C 75 174.256 172.898 1.358 2
1 785 . 1 1 A 75 75 GLY CA C 75 45.653 45.131 0.522 2
1 786 . 1 1 A 75 75 GLY N N 75 108.913 108.886 0.027 2
1 787 . 1 1 A 76 76 VAL H H 76 8.079 8.462 -0.383 2
1 788 . 1 1 A 76 76 VAL HA H 76 4.169 4.556 -0.387 2
1 796 . 1 1 A 76 76 VAL C C 76 176.347 174.875 1.472 2
1 797 . 1 1 A 76 76 VAL CA C 76 62.295 61.027 1.268 2
1 798 . 1 1 A 76 76 VAL CB C 76 32.871 33.807 -0.936 2
1 801 . 1 1 A 76 76 VAL N N 76 119.508 120.896 -1.388 2
1 802 . 1 1 A 77 77 GLU H H 77 8.619 8.695 -0.076 2
1 803 . 1 1 A 77 77 GLU HA H 77 4.310 4.661 -0.351 2
1 808 . 1 1 A 77 77 GLU C C 77 177.046 176.143 0.903 2
1 809 . 1 1 A 77 77 GLU CA C 77 56.966 55.879 1.087 2
1 810 . 1 1 A 77 77 GLU CB C 77 30.318 31.876 -1.558 2
1 812 . 1 1 A 77 77 GLU N N 77 125.001 123.751 1.250 2
1 813 . 1 1 A 78 78 GLY H H 78 8.446 8.436 0.010 2
1 814 . 1 1 A 78 78 GLY HA2 H 78 3.987 4.069 -0.082 2
1 815 . 1 1 A 78 78 GLY HA3 H 78 3.987 4.071 -0.084 2
1 816 . 1 1 A 78 78 GLY C C 78 174.238 173.283 0.955 2
1 817 . 1 1 A 78 78 GLY CA C 78 45.283 45.624 -0.341 2
1 818 . 1 1 A 78 78 GLY N N 78 110.357 109.053 1.304 2
1 819 . 1 1 A 79 79 GLU H H 79 8.313 8.408 -0.095 2
1 820 . 1 1 A 79 79 GLU HA H 79 4.309 4.783 -0.474 2
1 825 . 1 1 A 79 79 GLU C C 79 176.509 175.403 1.106 2
1 826 . 1 1 A 79 79 GLU CA C 79 56.755 55.581 1.174 2
1 827 . 1 1 A 79 79 GLU CB C 79 30.317 32.147 -1.830 2
1 829 . 1 1 A 79 79 GLU N N 79 120.638 120.094 0.544 2
1 830 . 1 1 A 80 80 ASN H H 80 8.588 8.702 -0.114 2
1 831 . 1 1 A 80 80 ASN HA H 80 4.801 4.956 -0.155 2
1 834 . 1 1 A 80 80 ASN C C 80 175.202 174.627 0.575 2
1 835 . 1 1 A 80 80 ASN CA C 80 53.336 52.970 0.366 2
1 836 . 1 1 A 80 80 ASN CB C 80 39.051 40.245 -1.194 2
1 837 . 1 1 A 80 80 ASN N N 80 119.808 121.750 -1.942 2
1 838 . 1 1 A 81 81 SER H H 81 8.322 8.522 -0.200 2
1 839 . 1 1 A 81 81 SER HA H 81 4.517 4.593 -0.076 2
1 842 . 1 1 A 81 81 SER C C 81 174.643 174.254 0.389 2
1 843 . 1 1 A 81 81 SER CA C 81 58.499 58.533 -0.034 2
1 844 . 1 1 A 81 81 SER CB C 81 64.056 64.169 -0.113 2
1 845 . 1 1 A 81 81 SER N N 81 116.318 116.623 -0.305 2
1 846 . 1 1 A 82 82 GLY H H 82 8.303 8.345 -0.042 2
1 847 . 1 1 A 82 82 GLY HA2 H 82 4.170 4.161 0.009 2
1 848 . 1 1 A 82 82 GLY HA3 H 82 4.125 4.164 -0.039 2
1 849 . 1 1 A 82 82 GLY C C 82 171.855 173.172 -1.317 2
1 850 . 1 1 A 82 82 GLY CA C 82 44.719 45.356 -0.637 2
1 851 . 1 1 A 82 82 GLY N N 82 110.706 110.552 0.154 2
1 852 . 1 1 A 83 83 PRO HA H 83 4.498 4.571 -0.073 2
1 859 . 1 1 A 83 83 PRO C C 83 177.459 176.121 1.338 2
1 860 . 1 1 A 83 83 PRO CA C 83 63.274 63.225 0.049 2
1 861 . 1 1 A 83 83 PRO CB C 83 32.254 32.495 -0.241 2
1 864 . 1 1 A 84 84 SER H H 84 8.541 8.351 0.190 2
1 865 . 1 1 A 84 84 SER HA H 84 4.508 4.752 -0.244 2
1 868 . 1 1 A 84 84 SER C C 84 174.744 173.770 0.974 2
1 869 . 1 1 A 84 84 SER CA C 84 58.412 57.949 0.463 2
1 870 . 1 1 A 84 84 SER CB C 84 64.056 64.729 -0.673 2
1 871 . 1 1 A 84 84 SER N N 84 116.449 115.387 1.062 2
1 872 . 1 1 A 85 85 SER H H 85 8.353 8.524 -0.171 2
1 873 . 1 1 A 85 85 SER HA H 85 4.517 4.633 -0.116 2
1 876 . 1 1 A 85 85 SER C C 85 173.953 174.310 -0.357 2
1 877 . 1 1 A 85 85 SER CA C 85 58.492 58.683 -0.191 2
1 878 . 1 1 A 85 85 SER CB C 85 64.138 64.842 -0.704 2
1 879 . 1 1 A 85 85 SER N N 85 117.940 117.972 -0.032 2
stop_
save_